#------------------------------------------------------------------------------ #$Date: 2023-05-05 03:59:56 +0300 (Fri, 05 May 2023) $ #$Revision: 283156 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/81/1568135.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1568135 loop_ _publ_author_name 'Ye, Christopher Z.' 'Del Rosal, Iker' 'Boreen, Michael A.' 'Ouellette, Erik T.' 'Russo, Dominic R.' 'Maron, Laurent' 'Arnold, John' 'Camp, Clément' _publ_section_title ; A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics. ; _journal_issue 4 _journal_name_full 'Chemical science' _journal_page_first 861 _journal_page_last 868 _journal_paper_doi 10.1039/d2sc04903a _journal_volume 14 _journal_year 2023 _chemical_formula_moiety 'C60 H90 Ir6 U2' _chemical_formula_sum 'C60 H90 Ir6 U2' _chemical_formula_weight 2440.57 _chemical_melting_point 600 _chemical_name_systematic {U[(\m2-H3)IrCp*]2[(\m3-H2)IrCp*]}2 _chemical_properties_physical Air-sensitive,Moisture-sensitive _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2022-08-05 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408) ; _audit_update_record ; 2022-08-29 deposited with the CCDC. 2022-12-19 downloaded from the CCDC. ; _cell_angle_alpha 93.8150(10) _cell_angle_beta 98.6070(10) _cell_angle_gamma 93.3650(10) _cell_formula_units_Z 2 _cell_length_a 12.0833(2) _cell_length_b 15.2848(2) _cell_length_c 18.5723(3) _cell_measurement_reflns_used 35113 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 29.8150 _cell_measurement_theta_min 3.1380 _cell_volume 3375.78(9) _computing_cell_refinement 'CrysAlisPro 1.171.41.109a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.109a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.109a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2014/7 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100.0 _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 5.8140 _diffrn_detector_type 'Pilatus 200K' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -25.00 45.00 0.50 5.00 -- -2.02 77.00 30.00 140 2 \w -15.00 75.00 0.50 5.00 -- -2.02 38.00 120.00 180 3 \w -71.00 17.00 0.50 5.00 -- 2.33 -57.00 150.00 176 4 \w -13.00 75.00 0.50 5.00 -- 2.33 57.00-150.00 176 5 \w -20.00 45.00 0.50 5.00 -- 2.33 77.00 60.00 130 6 \w -11.00 82.00 0.50 5.00 -- 2.33 19.00 -60.00 186 7 \w -12.00 31.00 0.50 5.00 -- 2.33 -99.00 -90.00 86 8 \w 2.00 74.00 0.50 5.00 -- 2.33 19.00 30.00 144 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'ROD, Synergy Custom DW system, Pilatus 200K' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0027853000 _diffrn_orient_matrix_UB_12 0.0062698000 _diffrn_orient_matrix_UB_13 0.0384317000 _diffrn_orient_matrix_UB_21 0.0489788000 _diffrn_orient_matrix_UB_22 -0.0236958000 _diffrn_orient_matrix_UB_23 0.0048622000 _diffrn_orient_matrix_UB_31 0.0336927000 _diffrn_orient_matrix_UB_32 0.0396584000 _diffrn_orient_matrix_UB_33 0.0003048000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0606 _diffrn_reflns_av_unetI/netI 0.0424 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 69850 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.370 _diffrn_reflns_theta_min 3.007 _diffrn_source 'Rotating-anode X-ray tube' _diffrn_source_type 'Rigaku (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 16.586 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.51561 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.109a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour black _exptl_crystal_colour_primary black _exptl_crystal_density_diffrn 2.401 _exptl_crystal_description block _exptl_crystal_F_000 2192 _exptl_crystal_recrystallization_method 'Directly crystallized from a mixture of n-hexane solutions containing the starting materials.' _exptl_crystal_size_max 0.02 _exptl_crystal_size_mid 0.01 _exptl_crystal_size_min 0.008 _refine_diff_density_max 2.723 _refine_diff_density_min -1.262 _refine_diff_density_rms 0.207 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.015 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 643 _refine_ls_number_reflns 13763 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.015 _refine_ls_R_factor_all 0.0297 _refine_ls_R_factor_gt 0.0243 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0267P)^2^+2.4164P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0579 _refine_ls_wR_factor_ref 0.0596 _reflns_Friedel_coverage 0.000 _reflns_number_gt 12219 _reflns_number_total 13763 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d2sc04903a2.cif _cod_data_source_block czy_i_146 _cod_depositor_comments 'Adding full bibliography for 1568133--1568135.cif.' _cod_database_code 1568135 _shelx_shelxl_version_number 2014/7 _chemical_oxdiff_formula 'U Ir3 C30 H54' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _reflns_odcompleteness_completeness 99.78 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _olex2_refinement_description ; 1. Fixed Uiso At 1.5 times of: All C(H,H,H) groups 2.a Idealised Me refined as rotating group: C012(H01A,H01B,H01C), C017(H01D,H01E,H01F), C018(H01G,H01H,H01I), C01E(H01,H, HA), C01F(H1,HB,HC), C01G(H01J,H01K,H01L), C01H(H2,HD,HE), C01I(H01M,H01N, H01O), C01J(H01P,H01Q,H01R), C01L(H3,HF,HG), C01M(H4,HH,HI), C01O(H01S,H01T, H01U), C01Q(H5,HJ,HK), C01R(H6,HL,HM), C01T(H01V,H01W,H01X), C01U(H7,HN,HO), C01V(H01Y,HP,HQ), C01W(H01Z,HR,HS), C021(H02A,H02B,H02C), C023(H02D,H02E,H02F), C024(H02G,H02H,H02I), C025(H02J,H02K,H02L), C029(H02P,H02Q,H02R), C02C(H02S, H02T,H02U), C02E(H02M,H02N,H02O), C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B, H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C) ; _shelx_res_file ; czy_i_146.res created by SHELXL-2014/7 TITL czy_i_146_a.res in P-1 REM Old TITL CZY_I_146 in P-1 REM SHELXT solution in P-1 REM R1 0.063, Rweak 0.005, Alpha 0.101, Orientation as input REM Formula found by SHELXT: C99 Ir8 CELL 0.71073 12.0833 15.2848 18.5723 93.815 98.607 93.365 ZERR 2 0.0002 0.0002 0.0003 0.001 0.001 0.001 LATT 1 SFAC C H Ir U UNIT 120 180 12 4 L.S. 4 0 0 PLAN 37 CONF BOND $H list 4 MORE -1 fmap 2 53 acta SHEL 1000 0.8 OMIT -1 1 2 OMIT 0 2 1 REM REM REM WGHT 0.026700 2.416400 FVAR 0.12854 U01 4 0.525178 0.423585 0.076333 11.00000 0.01207 0.00999 = 0.01192 0.00039 0.00194 0.00065 U02 4 1.020442 0.070265 0.422353 11.00000 0.01371 0.01007 = 0.01344 0.00023 0.00392 0.00103 IR03 3 0.366785 0.414608 -0.053864 11.00000 0.01045 0.01011 = 0.01330 -0.00128 0.00109 -0.00094 IR04 3 0.825104 -0.010276 0.464977 11.00000 0.01210 0.01215 = 0.01530 -0.00031 0.00391 0.00074 IR05 3 0.671166 0.274382 0.074610 11.00000 0.01302 0.01048 = 0.01193 -0.00028 0.00211 0.00163 IR06 3 0.419349 0.443296 0.210474 11.00000 0.01324 0.01374 = 0.01422 0.00077 0.00413 0.00158 IR07 3 1.071706 -0.006174 0.279629 11.00000 0.01935 0.01224 = 0.01327 -0.00144 0.00382 0.00073 IR08 3 1.012167 0.263282 0.450935 11.00000 0.01673 0.00982 = 0.01471 0.00016 0.00359 0.00133 C009 1 0.660063 0.040549 0.485182 11.00000 0.00892 0.02821 = 0.02132 0.00004 0.00229 0.00383 C00A 1 0.656236 -0.049518 0.502491 11.00000 0.00903 0.02919 = 0.01996 0.00290 0.00069 -0.00317 C00B 1 0.259084 0.471892 0.247569 11.00000 0.01543 0.01852 = 0.01910 0.00443 0.01051 0.00702 C00C 1 0.702985 0.142568 0.028165 11.00000 0.02198 0.01491 = 0.01920 -0.00394 0.00210 0.00838 C00D 1 0.345887 0.534730 0.284480 11.00000 0.02129 0.02430 = 0.01979 0.00381 0.01190 0.00254 C00E 1 0.288926 0.386336 0.269354 11.00000 0.01754 0.01879 = 0.02013 0.00061 0.01056 0.00216 C00F 1 1.062716 0.374815 0.534274 11.00000 0.02363 0.00885 = 0.01901 -0.00181 0.00594 0.00117 C00G 1 0.905653 0.377198 0.445284 11.00000 0.02037 0.01206 = 0.03023 -0.00591 0.00200 0.00174 C00H 1 0.791885 0.197682 0.142570 11.00000 0.01580 0.00974 = 0.01642 0.00046 -0.00118 0.00871 C00J 1 0.701883 0.138580 0.104268 11.00000 0.01935 0.01099 = 0.02555 0.00180 -0.00152 -0.00033 C00K 1 0.181303 0.376397 -0.074103 11.00000 0.01222 0.01868 = 0.02531 -0.00182 0.00073 -0.00813 C00L 1 1.088825 0.010003 0.162990 11.00000 0.02600 0.02090 = 0.01524 -0.00317 0.00669 0.00379 C00M 1 0.293363 0.331248 -0.157368 11.00000 0.01853 0.01320 = 0.01580 -0.00460 -0.00603 -0.00197 C00N 1 0.307081 0.274552 -0.097766 11.00000 0.01231 0.01501 = 0.02730 -0.00471 -0.00429 0.00030 C00O 1 0.213208 0.392344 -0.143491 11.00000 0.01702 0.01573 = 0.02012 -0.00496 -0.00586 -0.00177 C00P 1 1.100084 0.396467 0.467728 11.00000 0.02076 0.01115 = 0.01698 0.00157 0.00223 0.00285 C00Q 1 0.236167 0.301109 -0.047278 11.00000 0.01658 0.01528 = 0.02303 0.00263 -0.00010 -0.00883 C00R 1 1.007444 -0.059854 0.165472 11.00000 0.02482 0.03106 = 0.01731 -0.00835 0.00341 0.00052 C00S 1 0.393081 0.398070 0.318658 11.00000 0.01696 0.03079 = 0.01700 0.00707 0.00684 0.00780 C00T 1 0.664739 -0.100980 0.438153 11.00000 0.01183 0.01913 = 0.02677 0.00448 -0.00274 -0.00145 C00U 1 0.426342 0.490137 0.327892 11.00000 0.01877 0.03346 = 0.01595 -0.00191 0.00536 -0.00080 C00V 1 0.847247 0.238410 0.088669 11.00000 0.01435 0.01407 = 0.02993 -0.00078 0.00460 0.00913 C00W 1 0.942049 0.362487 0.520639 11.00000 0.02766 0.01643 = 0.02543 0.00039 0.01254 0.00547 C00X 1 1.062295 -0.126699 0.205208 11.00000 0.05483 0.01304 = 0.02277 -0.00539 0.01523 0.00206 C00Y 1 1.194256 -0.012780 0.201086 11.00000 0.02619 0.02297 = 0.01744 -0.00662 0.01065 0.00382 C00Z 1 1.003308 0.398360 0.412881 11.00000 0.02543 0.01192 = 0.01812 -0.00334 0.00486 -0.00020 C010 1 0.670692 -0.044181 0.379920 11.00000 0.01668 0.02639 = 0.01922 0.00079 -0.00039 0.00294 C012 1 0.380865 0.198612 -0.093751 11.00000 0.02219 0.01955 = 0.03753 -0.00443 -0.00136 0.00524 AFIX 137 H01A 2 0.453236 0.217115 -0.104981 11.00000 -1.50000 H01B 2 0.347318 0.151481 -0.128312 11.00000 -1.50000 H01C 2 0.389151 0.178755 -0.045395 11.00000 -1.50000 AFIX 0 C016 1 1.177227 -0.097033 0.227038 11.00000 0.04773 0.03118 = 0.01224 -0.00566 0.00062 0.01541 C017 1 0.165169 0.457340 -0.194260 11.00000 0.02779 0.01967 = 0.02491 0.00086 -0.00317 0.00719 AFIX 137 H01D 2 0.099297 0.430664 -0.225060 11.00000 -1.50000 H01E 2 0.219770 0.475325 -0.223906 11.00000 -1.50000 H01F 2 0.145636 0.507707 -0.166366 11.00000 -1.50000 AFIX 0 C018 1 0.449786 0.326718 0.358914 11.00000 0.02847 0.04491 = 0.03527 0.02142 0.01101 0.01849 AFIX 137 H01G 2 0.427671 0.270917 0.332245 11.00000 -1.50000 H01H 2 0.428200 0.326046 0.406573 11.00000 -1.50000 H01I 2 0.529692 0.337636 0.363626 11.00000 -1.50000 AFIX 0 C019 1 0.664327 0.043312 0.408652 11.00000 0.01613 0.01621 = 0.02439 0.00488 -0.00008 -0.00211 C01B 1 0.793614 0.203895 0.018141 11.00000 0.02893 0.01782 = 0.02328 0.00162 0.01024 0.00535 C01E 1 0.638341 -0.080478 0.574630 11.00000 0.01790 0.06822 = 0.02773 0.01850 0.00341 -0.00864 AFIX 137 H01 2 0.672274 -0.135166 0.581433 11.00000 -1.50000 H 2 0.559340 -0.088755 0.576028 11.00000 -1.50000 HA 2 0.671890 -0.037438 0.612859 11.00000 -1.50000 AFIX 0 C01F 1 1.135580 0.370714 0.606425 11.00000 0.03904 0.02418 = 0.01954 -0.00308 -0.00283 0.00976 AFIX 137 H1 2 1.208695 0.354548 0.598637 11.00000 -1.50000 HB 2 1.102745 0.327737 0.633798 11.00000 -1.50000 HC 2 1.142046 0.427225 0.633126 11.00000 -1.50000 AFIX 0 C01G 1 0.221647 0.300596 0.248837 11.00000 0.02623 0.02410 = 0.04159 0.00033 0.00965 -0.00003 AFIX 137 H01J 2 0.175143 0.303290 0.202470 11.00000 -1.50000 H01K 2 0.175257 0.289231 0.285327 11.00000 -1.50000 H01L 2 0.271380 0.254261 0.245551 11.00000 -1.50000 AFIX 0 C01H 1 1.219575 0.421400 0.459115 11.00000 0.02145 0.02381 = 0.02965 0.00192 0.00656 -0.00332 AFIX 137 H2 2 1.234784 0.483705 0.469317 11.00000 -1.50000 HD 2 1.230559 0.405170 0.409988 11.00000 -1.50000 HE 2 1.269548 0.391218 0.492548 11.00000 -1.50000 AFIX 0 C01I 1 0.155888 0.493306 0.197800 11.00000 0.01913 0.03957 = 0.03322 0.01593 0.00651 0.00855 AFIX 137 H01M 2 0.173933 0.542153 0.170719 11.00000 -1.50000 H01N 2 0.098781 0.508258 0.226356 11.00000 -1.50000 H01O 2 0.129047 0.443184 0.164538 11.00000 -1.50000 AFIX 0 C01J 1 0.632121 0.083109 -0.031271 11.00000 0.04320 0.01798 = 0.02835 -0.01264 -0.00728 0.00504 AFIX 137 H01P 2 0.558740 0.071999 -0.018525 11.00000 -1.50000 H01Q 2 0.666591 0.028542 -0.036737 11.00000 -1.50000 H01R 2 0.625880 0.110900 -0.076424 11.00000 -1.50000 AFIX 0 C01L 1 0.786098 0.376327 0.408631 11.00000 0.01958 0.02930 = 0.04419 -0.00674 -0.00565 0.00363 AFIX 137 H3 2 0.740339 0.335513 0.430566 11.00000 -1.50000 HF 2 0.781645 0.358824 0.357613 11.00000 -1.50000 HG 2 0.759842 0.434088 0.414272 11.00000 -1.50000 AFIX 0 C01M 1 0.648599 0.118757 0.535555 11.00000 0.02381 0.03556 = 0.04130 -0.01725 0.00428 0.00859 AFIX 137 H4 2 0.690668 0.112249 0.582778 11.00000 -1.50000 HH 2 0.570944 0.123350 0.539907 11.00000 -1.50000 HI 2 0.676821 0.170918 0.516343 11.00000 -1.50000 AFIX 0 C01O 1 0.347051 0.322771 -0.225854 11.00000 0.03263 0.02725 = 0.01973 -0.00817 0.00532 0.00366 AFIX 137 H01S 2 0.365787 0.380251 -0.240322 11.00000 -1.50000 H01T 2 0.295454 0.290843 -0.264311 11.00000 -1.50000 H01U 2 0.413967 0.291843 -0.216373 11.00000 -1.50000 AFIX 0 C01Q 1 0.868809 0.342427 0.577054 11.00000 0.04105 0.02355 = 0.03727 0.00319 0.02421 0.00329 AFIX 137 H5 2 0.906525 0.305621 0.611386 11.00000 -1.50000 HJ 2 0.799397 0.312585 0.553500 11.00000 -1.50000 HK 2 0.853770 0.396276 0.602275 11.00000 -1.50000 AFIX 0 C01R 1 1.004697 0.425914 0.337219 11.00000 0.03568 0.01494 = 0.02136 0.00300 0.00079 0.00677 AFIX 137 H6 2 0.939764 0.399244 0.305461 11.00000 -1.50000 HL 2 1.071279 0.407465 0.319942 11.00000 -1.50000 HM 2 1.003940 0.488718 0.337691 11.00000 -1.50000 AFIX 0 C01T 1 0.946733 0.303216 0.105200 11.00000 0.01563 0.02455 = 0.05005 0.00558 0.00822 0.00833 AFIX 137 H01V 2 0.950713 0.330109 0.153809 11.00000 -1.50000 H01W 2 0.939671 0.347619 0.070907 11.00000 -1.50000 H01X 2 1.013773 0.273583 0.101512 11.00000 -1.50000 AFIX 0 C01U 1 0.888499 -0.063559 0.129163 11.00000 0.02824 0.08015 = 0.03596 -0.02830 0.00378 -0.00652 AFIX 137 H7 2 0.863675 -0.005089 0.127752 11.00000 -1.50000 HN 2 0.842396 -0.098022 0.156076 11.00000 -1.50000 HO 2 0.882771 -0.089953 0.080259 11.00000 -1.50000 AFIX 0 C01V 1 0.097045 0.424980 -0.039445 11.00000 0.01395 0.02817 = 0.03321 -0.00099 0.00377 0.00108 AFIX 137 H01Y 2 0.105102 0.486094 -0.048067 11.00000 -1.50000 HP 2 0.108922 0.418734 0.012180 11.00000 -1.50000 HQ 2 0.022867 0.401388 -0.060136 11.00000 -1.50000 AFIX 0 C01W 1 0.216868 0.257869 0.020415 11.00000 0.03592 0.02626 = 0.03535 0.01022 0.00611 -0.01280 AFIX 137 H01Z 2 0.210401 0.302088 0.058469 11.00000 -1.50000 HR 2 0.278887 0.223505 0.035850 11.00000 -1.50000 HS 2 0.148970 0.220353 0.010229 11.00000 -1.50000 AFIX 0 C021 1 0.524695 0.533347 0.380166 11.00000 0.02746 0.04625 = 0.02354 -0.00731 0.00401 -0.00236 AFIX 137 H02A 2 0.584673 0.494618 0.384874 11.00000 -1.50000 H02B 2 0.502392 0.545817 0.427058 11.00000 -1.50000 H02C 2 0.549711 0.587150 0.361886 11.00000 -1.50000 AFIX 0 C023 1 0.826865 0.208521 0.223593 11.00000 0.03096 0.03279 = 0.01803 -0.00024 -0.00292 0.00027 AFIX 137 H02D 2 0.761429 0.207103 0.247236 11.00000 -1.50000 H02E 2 0.869384 0.263812 0.236688 11.00000 -1.50000 H02F 2 0.872223 0.161602 0.238842 11.00000 -1.50000 AFIX 0 C024 1 0.343721 0.632644 0.281630 11.00000 0.03578 0.02493 = 0.03697 -0.00201 0.01520 0.00376 AFIX 137 H02G 2 0.419167 0.658503 0.287406 11.00000 -1.50000 H02H 2 0.306931 0.656184 0.320257 11.00000 -1.50000 H02I 2 0.303679 0.645799 0.235405 11.00000 -1.50000 AFIX 0 C025 1 0.624040 0.079763 0.139048 11.00000 0.03188 0.01291 = 0.04007 0.01145 0.00076 -0.00268 AFIX 137 H02J 2 0.654037 0.023277 0.143713 11.00000 -1.50000 H02K 2 0.551660 0.072944 0.109070 11.00000 -1.50000 H02L 2 0.616826 0.105592 0.186523 11.00000 -1.50000 AFIX 0 C029 1 0.660617 -0.200693 0.429629 11.00000 0.03116 0.01422 = 0.05677 -0.00077 -0.00304 -0.00188 AFIX 137 H02P 2 0.701589 -0.218865 0.391395 11.00000 -1.50000 H02Q 2 0.583984 -0.223800 0.417460 11.00000 -1.50000 H02R 2 0.693674 -0.222438 0.474646 11.00000 -1.50000 AFIX 0 C02C 1 0.657874 0.122457 0.365523 11.00000 0.02656 0.02866 = 0.04622 0.01566 0.00073 0.00590 AFIX 137 H02S 2 0.697222 0.113778 0.324660 11.00000 -1.50000 H02T 2 0.691534 0.173146 0.395987 11.00000 -1.50000 H02U 2 0.580722 0.131300 0.348211 11.00000 -1.50000 AFIX 0 C02E 1 0.829235 0.222141 -0.052784 11.00000 0.04429 0.04002 = 0.03029 0.00658 0.01915 0.01169 AFIX 137 H02M 2 0.765003 0.216149 -0.090490 11.00000 -1.50000 H02N 2 0.882512 0.181162 -0.064137 11.00000 -1.50000 H02O 2 0.863230 0.280915 -0.049604 11.00000 -1.50000 AFIX 0 C1 1 1.069586 0.090072 0.121118 11.00000 0.06299 0.02699 = 0.02340 0.00320 0.01235 0.01351 AFIX 137 H1A 2 1.089968 0.079786 0.073415 11.00000 -1.50000 H1B 2 1.114703 0.139572 0.146700 11.00000 -1.50000 H1C 2 0.991810 0.101959 0.116514 11.00000 -1.50000 AFIX 0 C2 1 0.671842 -0.075636 0.300052 11.00000 0.03897 0.04843 = 0.02194 -0.00697 -0.00127 -0.00163 AFIX 137 H2A 2 0.596703 -0.093309 0.276852 11.00000 -1.50000 H2B 2 0.717736 -0.124648 0.297957 11.00000 -1.50000 H2C 2 0.701810 -0.028677 0.275265 11.00000 -1.50000 AFIX 0 C3 1 1.304760 0.040764 0.208046 11.00000 0.03139 0.05614 = 0.03798 -0.01736 0.01469 -0.00702 AFIX 137 H3A 2 1.353073 0.026651 0.250984 11.00000 -1.50000 H3B 2 1.292013 0.102190 0.211822 11.00000 -1.50000 H3C 2 1.339519 0.027527 0.165763 11.00000 -1.50000 AFIX 0 C4 1 1.269029 -0.149349 0.263486 11.00000 0.08485 0.05236 = 0.02518 -0.00693 0.00068 0.04167 AFIX 137 H4A 2 1.238006 -0.189564 0.293968 11.00000 -1.50000 H4B 2 1.325674 -0.110091 0.292791 11.00000 -1.50000 H4C 2 1.301777 -0.181658 0.226874 11.00000 -1.50000 AFIX 0 C5 1 1.009154 -0.216253 0.215086 11.00000 0.12491 0.03002 = 0.03778 -0.01225 0.03945 -0.02789 AFIX 137 H5A 2 1.019070 -0.256656 0.175097 11.00000 -1.50000 H5B 2 0.930488 -0.212113 0.216343 11.00000 -1.50000 H5C 2 1.044156 -0.236863 0.260090 11.00000 -1.50000 AFIX 0 HKLF 4 REM czy_i_146_a.res in P-1 REM R1 = 0.0243 for 12219 Fo > 4sig(Fo) and 0.0297 for all 13763 data REM 643 parameters refined using 0 restraints END WGHT 0.0267 2.4164 REM Highest difference peak 2.723, deepest hole -1.262, 1-sigma level 0.207 Q1 1 0.7843 0.0060 0.4267 11.00000 0.05 2.72 Q2 1 0.3969 0.4597 -0.0529 11.00000 0.05 1.60 Q3 1 0.3993 0.4739 0.2384 11.00000 0.05 1.60 Q4 1 0.4975 0.4388 0.1179 11.00000 0.05 1.54 Q5 1 0.8012 0.0193 0.5012 11.00000 0.05 1.52 Q6 1 0.6587 0.2973 0.1174 11.00000 0.05 1.49 Q7 1 0.4029 0.3934 -0.0856 11.00000 0.05 1.41 Q8 1 1.0421 0.0004 0.3357 11.00000 0.05 1.40 Q9 1 0.9999 0.0808 0.4788 11.00000 0.05 1.37 Q10 1 0.5548 0.4776 0.0635 11.00000 0.05 1.29 Q11 1 0.7852 -0.0584 0.4555 11.00000 0.05 1.28 Q12 1 0.9840 0.2000 0.4732 11.00000 0.05 1.26 Q13 1 0.3441 0.4368 -0.0808 11.00000 0.05 1.24 Q14 1 1.0262 0.2454 0.3953 11.00000 0.05 1.20 Q15 1 0.9200 -0.0565 0.4286 11.00000 0.05 1.18 Q16 1 1.1000 -0.0232 0.2391 11.00000 0.05 1.12 Q17 1 0.4423 0.4235 0.1659 11.00000 0.05 1.12 Q18 1 0.3808 0.4788 0.1583 11.00000 0.05 1.09 Q19 1 1.0531 0.0562 0.3792 11.00000 0.05 1.09 Q20 1 0.7017 0.2563 0.0411 11.00000 0.05 1.09 Q21 1 0.9490 0.2130 0.4141 11.00000 0.05 1.08 Q22 1 0.6268 0.2331 0.0570 11.00000 0.05 1.07 Q23 1 0.3742 0.4081 0.2096 11.00000 0.05 1.06 Q24 1 0.3916 0.3828 -0.0201 11.00000 0.05 1.06 Q25 1 0.3328 0.3770 -0.0622 11.00000 0.05 1.05 Q26 1 0.8637 -0.0460 0.5060 11.00000 0.05 1.05 Q27 1 0.6386 0.2990 0.0425 11.00000 0.05 1.03 Q28 1 1.0958 -0.0355 0.3247 11.00000 0.05 1.03 Q29 1 0.8441 -0.0276 0.4122 11.00000 0.05 1.03 Q30 1 0.9618 0.2742 0.4172 11.00000 0.05 1.02 Q31 1 1.0722 0.1224 0.4415 11.00000 0.05 1.00 Q32 1 0.3450 0.4236 -0.0110 11.00000 0.05 1.00 Q33 1 0.5529 0.4032 0.0406 11.00000 0.05 0.99 Q34 1 0.4910 0.3819 0.0784 11.00000 0.05 0.98 Q35 1 1.0921 0.0454 0.2659 11.00000 0.05 0.96 Q36 1 0.7146 0.3156 0.0822 11.00000 0.05 0.96 Q37 1 0.5739 0.4007 0.1203 11.00000 0.05 0.94 ; _shelx_res_checksum 30149 _shelx_hkl_file ; 0 0 3 585.39 39.46 0 0 -3 630.12 39.97 0 0 -3 647.82 40.01 0 0 3 633.81 40.67 0 0 -3 595.18 39.50 0 0 4 700.47 45.01 0 0 -4 760.44 45.79 0 0 -4 693.67 45.74 0 0 -4 673.48 45.07 0 0 4 706.34 46.70 0 0 4 667.78 44.97 0 0 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3365.56 217.52 4 -2 -5 3704.88 219.36 4 -2 -4 1003.07 65.77 -4 2 4 1039.81 65.42 4 -2 -3 1764.48 111.15 4 -2 -3 1476.22 114.90 4 -2 -2 9.32 2.67 -4 2 2 9.34 9.62 4 -2 -2 -0.77 7.02 4 -2 -2 9.28 5.82 -4 2 1 928.76 65.60 4 -2 -1 955.77 63.65 -4 2 0 83.50 10.35 4 -2 0 89.76 9.09 -4 2 -1 254.25 20.42 4 -2 1 298.09 20.38 4 -2 1 254.69 21.38 -4 2 -2 859.21 57.02 4 -2 2 896.20 57.09 -4 2 -2 800.02 56.82 -4 2 -3 1113.24 74.52 4 -2 3 1110.11 74.76 -4 2 -3 1156.65 74.71 -4 2 -4 6476.70 416.10 -4 2 -4 6639.48 416.40 4 -2 4 6210.57 416.43 4 -2 5 624.46 47.36 4 -2 5 645.30 44.85 -4 2 -5 667.06 45.17 -4 2 -5 699.91 45.65 4 -2 5 746.42 46.97 4 -2 5 668.04 45.80 -4 2 -6 1.09 3.75 4 -2 6 3.84 5.84 -4 2 -6 13.34 6.57 -4 2 -6 7.02 4.63 4 -2 6 6.22 6.27 -4 2 -7 95.38 8.58 4 -2 7 83.13 7.43 -4 2 -7 90.64 9.32 4 -2 7 88.17 9.83 -4 2 -7 84.64 11.05 4 -2 7 99.46 10.57 -4 2 -8 5.55 4.61 4 -2 8 11.57 6.11 4 -2 8 3.70 6.26 -4 2 -8 1.60 7.39 4 -2 9 19.72 4.33 -4 2 -9 18.85 5.41 4 -2 9 8.51 6.85 4 -2 9 21.90 7.17 -4 2 -9 12.47 10.11 -4 2 -9 25.84 8.77 4 -2 9 20.79 6.75 4 -2 10 6628.72 432.60 -4 2 -10 6758.68 433.56 4 -2 10 6835.93 436.52 4 -2 10 6310.66 435.03 4 -2 10 6585.18 434.59 4 -2 10 6987.68 434.56 -4 2 -10 6900.72 435.94 -4 2 -10 6912.44 437.90 4 -2 11 22.45 4.79 -4 2 -11 29.92 12.89 4 -2 11 21.83 9.20 -4 2 -11 22.70 6.17 4 -2 11 26.53 8.86 4 -2 11 21.33 8.10 4 -2 11 23.58 7.53 -4 2 -11 24.38 10.18 4 -2 12 2013.23 133.13 -4 2 -12 2103.93 134.32 4 -2 12 2096.56 137.39 4 -2 12 2005.70 136.02 4 -2 12 2046.36 135.67 4 -2 12 2103.08 134.84 -4 2 -12 1977.62 136.54 -4 2 -12 2008.25 138.93 4 -2 13 23.57 5.47 -4 2 -13 36.72 14.09 -4 2 -13 21.48 6.59 4 -2 13 19.05 9.95 4 -2 13 25.03 8.81 4 -2 13 26.97 9.05 -4 2 -13 35.41 10.61 4 -2 13 19.60 7.60 4 -2 14 806.99 53.12 -4 2 -14 844.51 54.49 4 -2 14 809.90 57.66 4 -2 14 761.71 56.14 4 -2 14 761.52 55.89 4 -2 14 792.63 54.53 -4 2 -14 742.98 57.03 -4 2 -14 769.87 60.29 4 -2 15 159.69 13.16 -4 2 -15 145.86 22.27 4 -2 15 158.81 18.09 -4 2 -15 166.59 14.99 4 -2 15 175.22 17.32 -4 2 -15 145.70 17.48 4 -2 15 162.88 15.01 4 -2 15 123.13 16.66 -4 2 -16 22.37 14.93 4 -2 16 33.63 6.85 -4 2 -16 31.96 8.49 4 -2 16 31.24 11.54 4 -2 16 30.05 11.10 4 -2 16 34.13 12.36 4 -2 16 34.64 8.58 -4 2 -17 25.09 17.55 4 -2 17 11.41 7.08 -4 2 -17 23.57 8.93 4 -2 17 19.00 12.75 4 -2 17 15.24 11.01 4 -2 17 10.24 8.41 4 -2 17 14.56 12.79 4 -2 18 1975.38 126.59 -4 2 -18 1862.73 134.18 4 -2 18 2011.23 131.40 -4 2 -18 1941.91 128.08 4 -2 18 1766.71 129.96 4 -2 18 1968.19 130.43 4 -2 18 1911.32 127.39 -4 2 -19 7.75 17.93 4 -2 19 11.89 7.60 4 -2 19 13.60 13.32 -4 2 -19 15.58 10.19 4 -2 19 -2.39 12.08 4 -2 19 1.18 14.24 -4 2 -20 276.00 24.27 4 -2 20 271.06 26.79 -4 2 -20 288.13 33.20 4 -2 20 301.10 22.30 4 -2 20 263.53 27.09 4 -2 21 224.47 24.59 4 -2 21 216.07 24.23 4 -2 22 488.37 40.48 -4 1 24 29.03 25.06 4 -1 -23 124.67 15.61 4 -1 -23 83.28 19.77 -4 1 23 151.30 30.02 -4 1 22 282.54 23.79 4 -1 -22 318.78 28.11 4 -1 -22 302.73 25.04 4 -1 -22 283.75 29.92 -4 1 22 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309.53 28.92 -6 -6 -12 333.58 25.26 6 6 12 303.76 25.77 6 6 12 321.91 24.78 -6 -6 -12 303.12 28.22 -6 -6 -12 271.54 27.13 -6 -6 -13 414.55 35.72 -6 -6 -13 444.43 31.88 6 6 13 409.63 32.93 6 6 13 420.06 31.44 -6 -6 -13 376.58 34.88 -6 -6 -13 410.76 34.67 -6 -6 -14 23.61 13.42 -6 -6 -14 16.29 13.79 -6 -6 -14 12.46 8.63 6 6 14 15.82 10.95 -6 -6 -14 41.32 13.41 6 6 14 -3.66 9.89 -6 -6 -15 43.61 14.33 -6 -6 -15 64.36 17.53 6 6 15 51.09 14.40 -6 -6 -15 52.59 10.66 6 6 15 45.05 12.94 -6 -6 -15 66.33 16.18 6 6 15 60.41 12.39 -6 -6 -16 134.67 19.66 6 6 16 173.32 20.41 6 6 16 139.66 18.44 -6 -6 -16 171.60 20.65 6 6 16 144.38 16.93 -6 -6 -17 249.51 28.70 6 6 17 347.53 29.61 6 6 17 311.93 28.48 6 6 17 315.36 26.58 -6 -6 -17 323.18 30.68 -6 -6 -18 236.63 26.71 -6 -6 -19 8.15 15.88 -6 -7 21 253.06 22.93 -6 -7 20 163.99 29.79 -6 -7 20 129.70 15.61 6 7 -19 123.42 15.76 -6 -7 19 85.34 25.52 -6 -7 19 147.78 15.23 6 7 -19 91.49 19.86 6 7 -18 6.40 10.02 -6 -7 18 -2.19 9.20 -6 -7 18 0.95 2.87 6 7 -18 -8.08 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417.39 39.00 10 -10 10 384.34 37.10 -10 10 -11 141.62 22.23 10 -10 11 126.39 24.98 10 -10 11 167.34 16.71 10 -10 11 131.77 20.75 10 -10 12 637.54 45.28 -10 10 -12 577.91 50.07 10 -9 -15 18.96 15.93 -10 9 14 115.08 20.10 10 -9 -14 106.98 19.86 -10 9 13 47.56 16.33 10 -9 -13 46.16 16.69 10 -9 -12 1937.77 122.21 -10 9 12 2010.90 125.62 10 -9 -12 2022.34 126.34 -10 9 11 89.51 16.54 10 -9 -11 71.41 11.89 10 -9 -11 80.01 17.33 -10 9 11 46.40 16.01 10 -9 -10 159.65 15.76 -10 9 10 177.01 19.39 10 -9 -10 176.74 19.73 -10 9 10 108.05 18.42 10 -9 -10 110.67 23.92 10 -9 -9 315.83 23.29 10 -9 -9 345.83 28.38 10 -9 -9 283.52 32.23 10 -9 -8 443.82 32.78 10 -9 -8 467.28 36.68 -10 9 8 476.26 33.04 10 -9 -8 351.18 39.59 10 -9 -7 11.04 8.01 -10 9 7 16.56 8.76 10 -9 -7 6.78 12.58 10 -9 -7 12.41 14.56 10 -9 -6 1594.61 104.79 -10 9 6 1766.19 105.93 10 -9 -5 54.22 9.75 -10 9 5 66.60 10.91 10 -9 -4 299.88 22.33 -10 9 4 293.85 23.45 -10 9 3 312.92 23.95 10 -9 -3 226.93 26.70 -10 9 2 186.96 31.21 10 -9 -2 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14.39 7.66 10 2 4 2.11 10.02 -10 -2 -4 -12.76 12.04 10 2 5 120.16 15.43 -10 -2 -5 135.49 15.48 10 2 5 144.25 14.96 10 2 5 108.47 14.40 -10 -2 -5 128.27 13.19 10 2 5 139.00 16.70 10 2 6 99.70 14.50 -10 -2 -6 75.78 12.22 10 2 6 65.20 12.51 10 2 6 67.90 12.01 -10 -2 -6 69.25 10.60 10 2 6 81.68 13.93 -10 -2 -7 421.52 33.23 10 2 7 406.59 34.17 10 2 7 474.79 32.89 10 2 7 399.56 32.84 -10 -2 -7 378.82 35.12 -10 -2 -8 627.60 45.97 10 2 8 628.38 47.23 10 2 8 641.28 45.44 10 2 8 593.58 45.88 -10 -2 -8 607.18 48.72 -10 -2 -9 519.99 40.64 10 2 9 509.16 42.12 10 2 9 566.70 40.41 10 2 9 547.60 41.04 -10 -2 -9 495.86 46.26 -10 -2 -9 549.09 43.68 10 2 10 330.11 31.20 10 2 10 354.36 29.09 10 2 10 350.78 29.97 -10 -2 -10 277.90 34.03 -10 -2 -10 384.28 33.19 10 2 10 378.77 30.29 10 2 11 243.25 24.80 10 2 11 229.54 21.52 10 2 11 204.70 21.83 10 2 11 224.84 22.48 -10 -2 -11 193.47 24.93 -10 -2 -11 188.18 27.58 10 2 12 412.13 34.45 10 2 12 363.11 32.69 -10 -2 -12 333.77 35.45 -10 -2 -12 356.46 37.94 10 2 12 426.38 33.54 10 2 12 417.57 32.09 10 2 13 34.13 14.58 10 2 13 66.04 14.62 -10 -2 -13 22.82 16.09 -10 -2 -13 27.43 19.81 10 2 13 22.86 12.40 10 2 14 35.46 16.53 10 2 14 58.54 15.75 -10 -2 -14 49.29 18.11 10 2 14 64.28 14.12 10 3 -20 1583.94 115.07 -10 -3 19 57.94 23.55 10 3 -19 71.01 13.97 10 3 -19 69.44 20.78 -10 -3 18 301.26 36.88 10 3 -18 323.30 26.13 10 3 -18 325.32 26.91 10 3 -18 252.47 32.73 -10 -3 17 252.87 32.32 10 3 -17 267.88 21.94 10 3 -17 219.63 21.36 10 3 -17 210.74 27.14 10 3 -16 24.30 10.08 -10 -3 16 24.79 19.33 -10 -3 16 26.10 8.57 10 3 -16 26.74 10.49 10 3 -16 7.38 15.50 -10 -3 15 205.28 26.82 -10 -3 15 185.34 16.64 10 3 -15 179.96 18.09 10 3 -15 171.01 23.20 10 3 -15 206.61 18.47 -10 -3 14 2170.54 132.29 -10 -3 14 1917.00 123.93 10 3 -14 2047.94 124.98 10 3 -14 1784.10 129.44 10 3 -14 1963.53 124.79 10 3 -14 1756.56 122.10 10 3 -13 26.58 9.67 -10 -3 13 38.64 17.01 -10 -3 13 20.31 7.97 10 3 -13 15.20 13.16 10 3 -13 34.62 9.03 10 3 -12 1199.71 75.30 -10 -3 12 1244.55 81.59 -10 -3 12 1104.06 74.39 10 3 -12 961.24 78.77 10 3 -12 1124.95 74.79 10 3 -12 1071.38 73.68 10 3 -11 -13.06 8.25 -10 -3 11 -2.90 14.82 -10 -3 11 8.50 6.99 10 3 -11 -1.32 11.07 -10 -3 11 1.29 11.81 10 3 -11 2.64 6.64 10 3 -11 -0.93 6.12 10 3 -10 467.14 31.76 -10 -3 10 464.35 37.52 -10 -3 10 440.45 30.79 10 3 -10 308.32 33.80 10 3 -10 454.43 31.09 -10 -3 10 489.90 30.08 -10 -3 10 325.68 33.94 10 3 -10 404.70 31.06 10 3 -9 41.81 8.44 -10 -3 9 39.06 7.15 10 3 -9 41.56 11.64 -10 -3 9 41.82 7.29 10 3 -9 46.14 7.36 -10 -3 9 38.12 12.27 10 3 -9 44.46 8.50 10 3 -8 4.31 6.64 -10 -3 8 -2.00 6.16 10 3 -8 -3.18 10.14 10 3 -8 8.54 5.78 -10 -3 8 0.48 6.27 10 3 -8 14.11 7.50 10 3 -7 768.86 48.96 -10 -3 7 825.84 60.71 -10 -3 7 690.28 48.28 10 3 -7 655.55 51.32 10 3 -7 752.15 48.39 -10 -3 7 593.64 51.26 10 3 -7 736.33 50.02 -10 -3 6 681.58 52.67 10 3 -6 641.00 42.37 -10 -3 6 630.68 41.74 10 3 -6 552.89 44.35 10 3 -6 648.30 41.86 -10 -3 6 570.63 44.93 10 3 -6 560.68 43.49 10 3 -5 44.43 7.18 -10 -3 5 42.71 6.47 10 3 -5 50.20 10.62 10 3 -5 36.78 6.08 -10 -3 5 51.93 16.15 -10 -3 5 34.79 10.26 10 3 -5 48.46 6.71 10 3 -5 25.23 9.38 10 3 -4 5.47 5.51 10 3 -4 9.37 5.69 10 3 -4 5.68 8.20 -10 -3 4 10.03 12.59 -10 -3 4 4.81 8.19 10 3 -4 16.85 5.48 10 3 -4 10.94 7.76 10 3 -3 355.57 24.19 10 3 -3 349.84 25.01 10 3 -3 327.88 26.56 -10 -3 3 340.19 31.30 -10 -3 3 320.90 26.41 10 3 -3 326.43 27.24 -10 -3 2 22.79 11.92 10 3 -2 19.41 8.16 10 3 -2 14.77 6.66 10 3 -2 10.20 8.41 -10 -3 2 14.71 9.49 -10 -3 2 27.59 8.76 -10 -3 1 351.92 31.54 10 3 -1 379.45 28.44 10 3 -1 384.61 29.03 10 3 -1 392.72 26.42 10 3 -1 414.15 30.36 -10 -3 1 363.50 30.98 -10 -3 1 362.23 28.36 -10 -3 0 498.15 39.38 10 3 0 504.70 36.77 10 3 0 525.26 36.99 10 3 0 516.27 34.17 10 3 0 512.96 38.29 -10 -3 0 487.28 39.10 -10 -3 0 484.92 36.01 -10 -3 -1 31.07 11.54 10 3 1 67.98 10.60 10 3 1 48.96 9.30 10 3 1 50.34 5.50 -10 -3 -1 55.18 8.89 10 3 1 45.74 11.35 -10 -3 -1 52.26 12.46 10 3 2 117.85 9.31 -10 -3 -2 119.36 15.73 10 3 2 146.20 13.31 10 3 2 133.04 14.69 10 3 2 124.09 13.51 -10 -3 -2 127.98 12.37 10 3 2 136.45 15.62 -10 -3 -2 130.97 16.70 -10 -3 -3 247.94 21.82 10 3 3 242.68 19.76 10 3 3 229.99 21.33 10 3 3 258.07 20.37 10 3 3 233.24 20.09 -10 -3 -3 226.51 18.57 10 3 3 225.38 21.50 -10 -3 -3 219.66 22.93 -10 -3 -4 343.81 27.86 10 3 4 352.06 27.84 10 3 4 326.21 26.16 10 3 4 336.40 26.78 -10 -3 -4 346.15 24.98 10 3 4 300.58 27.56 -10 -3 -4 347.64 29.79 10 3 5 11.46 10.43 -10 -3 -5 27.43 10.23 10 3 5 31.03 9.39 10 3 5 38.13 9.90 -10 -3 -5 36.77 7.92 10 3 5 25.78 10.79 -10 -3 -6 320.75 28.18 10 3 6 363.34 29.38 10 3 6 346.05 26.78 10 3 6 311.43 27.08 10 3 6 363.45 28.50 10 3 7 31.37 12.77 -10 -3 -7 19.64 10.18 10 3 7 16.14 9.36 10 3 7 21.28 10.18 10 3 7 30.09 12.30 -10 -3 -8 207.84 19.59 10 3 8 186.83 21.71 10 3 8 244.96 19.55 10 3 8 181.73 19.67 -10 -3 -8 180.25 22.43 10 3 9 54.56 14.19 -10 -3 -9 45.60 11.72 10 3 9 29.67 12.30 10 3 9 45.57 11.75 -10 -3 -9 29.89 17.37 -10 -3 -9 49.44 15.00 10 3 10 795.39 56.72 -10 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190.88 20.74 10 4 -7 231.50 17.37 -10 -4 7 221.23 21.43 -10 -4 7 255.54 19.56 10 4 -7 235.72 19.57 -10 -4 6 455.06 31.23 -10 -4 6 559.37 42.63 10 4 -6 455.52 31.85 10 4 -6 463.76 34.18 10 4 -6 437.37 30.68 -10 -4 6 419.57 34.05 10 4 -6 452.16 33.06 -10 -4 5 100.05 9.66 10 4 -5 105.70 10.30 10 4 -5 105.87 12.79 10 4 -5 116.64 9.92 -10 -4 5 111.77 19.03 -10 -4 5 93.77 12.73 10 4 -5 102.02 9.01 10 4 -5 96.22 12.32 -10 -4 4 1319.64 89.09 10 4 -4 1473.84 89.70 10 4 -4 1321.35 89.66 10 4 -4 1388.19 91.67 -10 -4 4 1501.23 97.13 -10 -4 4 1240.00 91.16 10 4 -4 1397.59 88.93 10 4 -4 1325.29 91.54 -10 -4 4 1278.07 92.62 10 4 -3 217.96 15.79 10 4 -3 208.33 18.13 10 4 -3 202.62 16.71 -10 -4 3 213.38 23.09 -10 -4 3 195.04 17.54 10 4 -3 183.85 18.37 -10 -4 3 174.78 19.55 10 4 -2 635.41 44.39 10 4 -2 663.74 43.65 -10 -4 2 681.48 48.46 10 4 -2 618.84 42.28 10 4 -2 616.40 45.10 -10 -4 2 569.11 46.03 -10 -4 2 609.16 43.65 10 4 -1 16.30 7.61 -10 -4 1 4.72 11.34 10 4 -1 12.85 7.79 10 4 -1 20.44 5.07 -10 -4 1 9.33 6.87 -10 -4 1 17.84 10.41 10 4 -1 15.90 8.93 -10 -4 0 76.80 13.52 10 4 0 88.14 11.04 10 4 0 78.87 11.04 10 4 0 89.37 7.77 -10 -4 0 76.32 9.43 -10 -4 0 71.43 13.80 10 4 0 94.25 12.69 -10 -4 -1 650.34 47.55 10 4 1 608.70 45.59 10 4 1 706.44 45.64 10 4 1 653.70 44.61 -10 -4 -1 628.60 43.96 10 4 1 642.80 46.78 -10 -4 -1 612.00 47.74 10 4 2 535.43 34.63 -10 -4 -2 490.21 39.64 10 4 2 556.17 38.67 10 4 2 554.60 38.18 10 4 2 493.15 37.25 -10 -4 -2 503.00 36.47 10 4 2 530.84 39.63 -10 -4 -2 542.87 41.16 -10 -4 -3 155.53 16.90 10 4 3 140.05 16.09 10 4 3 161.99 14.81 10 4 3 123.27 13.68 -10 -4 -3 145.89 12.66 -10 -4 -3 157.06 17.80 10 4 3 142.12 16.37 10 4 4 1655.41 117.14 -10 -4 -4 1834.17 118.11 10 4 4 1626.38 115.46 10 4 4 1775.76 116.17 -10 -4 -4 1792.90 114.69 10 4 4 1862.33 118.17 -10 -4 -4 1723.59 119.18 -10 -4 -5 -0.97 9.38 10 4 5 4.71 10.60 10 4 5 6.10 7.86 10 4 5 -2.18 8.52 -10 -4 -5 -14.05 13.75 10 4 5 -1.01 10.26 10 4 6 379.26 30.74 -10 -4 -6 363.81 30.11 10 4 6 373.31 28.41 10 4 6 376.65 29.25 10 4 6 374.86 31.05 10 4 7 1359.00 95.67 -10 -4 -7 1356.37 95.03 10 4 7 1386.27 93.41 10 4 7 1421.25 94.36 10 4 7 1443.02 95.67 -10 -4 -8 66.49 13.13 10 4 8 47.42 14.58 10 4 8 74.46 12.86 10 4 8 63.41 11.36 -10 -4 -8 77.37 15.61 -10 -4 -9 82.48 13.15 10 4 9 91.91 16.26 10 4 9 68.77 12.97 10 4 9 95.90 13.10 -10 -4 -9 92.04 20.61 -10 -4 -9 84.89 17.57 -10 -4 -10 78.49 13.78 10 4 10 88.65 16.25 10 4 10 92.39 14.21 10 4 10 71.49 15.01 -10 -4 -10 105.23 22.09 -10 -4 -10 89.76 17.35 10 4 10 83.13 13.08 10 4 11 -2.63 13.70 10 4 11 -3.18 11.45 -10 -4 -11 8.07 14.17 -10 -4 -11 -5.79 17.37 10 4 12 130.00 19.87 10 4 12 123.01 17.18 -10 -4 -12 124.53 22.71 -10 -4 -12 137.51 20.85 10 4 13 167.88 21.38 10 4 13 135.03 19.11 -10 -4 -13 104.89 22.77 -10 -4 -13 174.91 23.03 10 4 14 64.54 16.04 -10 -4 -14 62.13 22.11 -10 -5 18 24.55 23.95 10 5 -18 22.63 12.37 10 5 -18 17.70 13.89 -10 -5 17 62.55 22.61 10 5 -17 94.38 13.60 10 5 -17 68.02 16.27 -10 -5 16 297.05 24.43 10 5 -16 326.80 26.43 10 5 -16 280.03 29.13 -10 -5 15 28.47 20.29 -10 -5 15 46.00 9.43 10 5 -15 49.96 11.44 10 5 -15 47.92 10.29 10 5 -15 41.51 13.14 -10 -5 14 138.75 13.75 10 5 -14 139.87 14.56 10 5 -14 130.55 13.49 10 5 -14 105.93 16.85 -10 -5 13 2.13 7.88 10 5 -13 13.17 9.46 10 5 -13 8.65 7.51 10 5 -13 -1.19 10.78 -10 -5 12 276.01 21.22 10 5 -12 275.94 22.16 10 5 -12 258.61 24.59 10 5 -12 271.10 20.92 -10 -5 11 49.85 8.43 10 5 -11 57.79 9.66 10 5 -11 41.48 11.97 -10 -5 11 46.52 7.55 10 5 -11 41.48 7.26 10 5 -11 27.45 6.82 -10 -5 10 258.29 26.99 -10 -5 10 274.75 20.22 10 5 -10 294.27 21.51 10 5 -10 241.77 23.28 -10 -5 10 281.40 20.46 10 5 -10 247.19 19.22 -10 -5 10 193.49 23.61 10 5 -10 274.63 20.13 -10 -5 9 155.34 13.96 10 5 -9 149.57 15.29 10 5 -9 143.49 16.51 -10 -5 9 186.24 15.16 -10 -5 9 124.39 17.72 10 5 -9 170.36 12.86 10 5 -9 169.97 14.30 -10 -5 8 327.12 27.88 -10 -5 8 302.46 21.07 -10 -5 8 331.18 34.24 10 5 -8 314.95 22.11 10 5 -8 249.53 23.23 -10 -5 8 221.00 23.98 -10 -5 8 268.81 22.22 10 5 -8 269.29 19.61 10 5 -8 283.85 21.61 -10 -5 7 151.75 18.47 -10 -5 7 142.95 11.47 10 5 -7 131.15 12.63 -10 -5 7 87.95 20.82 10 5 -7 109.96 13.69 10 5 -7 123.33 9.71 -10 -5 7 109.82 14.71 -10 -5 7 108.57 13.15 10 5 -7 128.12 12.89 -10 -5 6 897.63 63.38 -10 -5 6 876.20 58.31 -10 -5 6 761.41 53.15 10 5 -6 891.38 54.15 10 5 -6 835.80 55.61 10 5 -6 777.78 52.03 -10 -5 6 677.62 55.15 10 5 -6 790.38 54.60 10 5 -5 174.65 14.01 -10 -5 5 166.76 13.08 10 5 -5 149.12 15.49 -10 -5 5 193.75 23.08 10 5 -5 156.15 11.46 -10 -5 5 165.94 15.70 -10 -5 5 139.71 16.62 10 5 -5 146.29 15.28 -10 -5 4 2.70 5.00 10 5 -4 -0.41 6.20 10 5 -4 6.13 7.69 -10 -5 4 4.59 13.27 10 5 -4 -3.91 6.05 10 5 -4 0.17 3.24 -10 -5 4 -4.75 9.70 -10 -5 4 10.83 7.79 10 5 -4 0.70 8.53 -10 -5 3 1253.24 81.77 10 5 -3 1436.64 82.72 10 5 -3 1252.96 82.97 10 5 -3 1236.21 84.02 -10 -5 3 1410.35 88.96 10 5 -3 1181.78 81.22 -10 -5 3 1188.58 85.58 10 5 -3 1289.24 84.58 -10 -5 3 1165.68 83.26 10 5 -2 376.57 28.50 10 5 -2 406.44 29.23 -10 -5 2 364.29 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4 83.85 13.49 -10 -5 -4 86.28 15.43 -10 -5 -5 1198.60 80.10 10 5 5 1090.34 79.70 -10 -5 -5 1176.54 81.43 10 5 5 1108.07 77.15 10 5 5 1168.64 78.14 -10 -5 -5 1169.78 81.64 10 5 5 1238.55 80.43 -10 -5 -6 1.25 12.87 -10 -5 -6 16.57 11.05 10 5 6 -4.96 11.65 10 5 6 -2.15 9.18 10 5 6 -4.79 7.28 10 5 6 2.04 10.58 -10 -5 -7 799.89 53.56 10 5 7 671.21 53.53 -10 -5 -7 771.89 56.05 10 5 7 736.72 52.10 10 5 7 710.29 50.75 10 5 7 749.64 53.95 -10 -5 -8 1355.88 92.39 10 5 8 1312.38 93.23 10 5 8 1373.01 91.55 10 5 8 1343.23 90.15 10 5 8 1349.88 93.09 -10 -5 -9 79.92 13.98 10 5 9 89.38 17.38 10 5 9 94.35 14.40 10 5 9 109.17 12.92 -10 -5 -9 83.26 19.61 -10 -5 -9 106.46 18.89 -10 -5 -10 117.17 15.61 10 5 10 115.26 17.83 10 5 10 98.29 14.57 -10 -5 -10 99.51 21.22 -10 -5 -10 105.96 19.00 10 5 11 41.44 14.56 10 5 11 17.35 11.40 -10 -5 -11 42.30 15.54 -10 -5 -11 45.28 18.18 10 5 12 536.88 44.13 10 5 12 581.19 42.34 -10 -5 -12 486.08 47.09 -10 -5 -12 574.86 46.52 10 5 13 266.58 25.01 -10 -5 -13 249.46 31.31 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181.94 20.44 11 2 5 181.92 20.28 11 2 5 205.82 19.75 11 2 5 220.46 20.09 -11 -2 -5 199.80 17.94 11 2 5 232.72 22.02 11 2 6 56.65 12.83 -11 -2 -6 35.96 11.75 11 2 6 55.18 11.86 11 2 6 51.27 11.80 -11 -2 -6 39.39 9.74 11 2 6 38.18 13.10 11 2 7 53.02 14.34 -11 -2 -7 34.68 11.90 11 2 7 21.23 11.17 11 2 7 45.24 12.05 11 2 7 31.55 12.55 11 2 8 28.69 13.83 -11 -2 -8 8.09 11.01 11 2 8 10.01 10.86 11 2 8 15.07 12.17 -11 -2 -8 8.10 14.07 -11 -2 -9 395.54 32.79 11 2 9 365.04 33.79 11 2 9 435.07 32.35 11 2 9 410.81 32.81 -11 -2 -9 323.55 37.14 -11 -2 -9 382.21 35.77 11 2 10 1007.37 66.68 11 2 10 845.57 63.16 11 2 10 893.50 64.30 -11 -2 -10 889.98 70.29 -11 -2 -10 841.28 67.19 11 2 11 14.38 14.19 11 2 11 17.03 12.80 -11 -2 -11 16.15 16.32 11 2 11 13.18 12.25 -11 -2 -11 26.31 21.00 11 2 12 40.49 15.33 11 2 12 17.78 14.42 -11 -2 -12 37.12 18.12 11 2 13 6.63 14.24 11 3 -19 207.69 27.36 11 3 -18 55.61 12.90 11 3 -18 50.24 19.07 -11 -3 17 197.64 30.46 11 3 -17 222.42 20.72 11 3 -17 201.84 25.97 11 3 -16 10.71 10.59 -11 -3 16 6.36 19.69 11 3 -16 -5.59 10.50 11 3 -16 24.45 16.78 -11 -3 15 976.05 66.85 -11 -3 15 1108.04 76.30 11 3 -15 994.28 67.95 11 3 -15 994.17 67.81 11 3 -15 877.49 72.17 11 3 -14 117.40 13.47 -11 -3 14 134.25 23.19 -11 -3 14 78.88 12.05 11 3 -14 90.37 12.95 -11 -3 14 103.64 17.97 11 3 -14 115.52 18.16 -11 -3 13 2333.01 151.94 -11 -3 13 2784.86 160.51 11 3 -13 2478.31 152.92 11 3 -13 2012.84 156.25 11 3 -13 2324.20 152.43 -11 -3 13 1979.09 156.07 11 3 -12 631.48 40.93 -11 -3 12 555.54 39.65 -11 -3 12 632.07 47.79 11 3 -12 474.65 44.04 11 3 -12 574.92 40.18 -11 -3 12 516.03 44.46 11 3 -12 560.00 39.44 11 3 -11 205.54 17.39 -11 -3 11 185.18 16.60 -11 -3 11 229.43 25.49 11 3 -11 153.69 20.70 11 3 -11 191.76 16.81 -11 -3 11 157.67 21.57 -11 -3 11 218.35 14.50 11 3 -11 182.33 16.71 11 3 -10 35.22 9.31 -11 -3 10 18.25 7.21 -11 -3 10 16.95 14.61 11 3 -10 26.00 11.38 11 3 -10 35.24 7.80 -11 -3 10 28.44 6.19 -11 -3 10 11.53 11.62 11 3 -10 36.42 8.32 11 3 -9 10.74 7.94 -11 -3 9 -4.00 6.52 11 3 -9 11.73 10.03 -11 -3 9 4.03 6.09 11 3 -9 -2.30 6.45 -11 -3 9 -3.60 11.08 11 3 -9 12.98 7.82 11 3 -8 764.55 47.34 -11 -3 8 735.73 46.61 -11 -3 8 661.64 59.62 11 3 -8 628.94 50.09 11 3 -8 607.82 46.30 -11 -3 8 592.21 49.98 -11 -3 8 707.35 47.08 11 3 -8 687.28 48.13 11 3 -7 1055.83 67.14 -11 -3 7 971.44 77.68 -11 -3 7 1038.85 66.53 11 3 -7 970.22 69.87 11 3 -7 985.51 66.42 -11 -3 7 873.37 69.62 11 3 -7 980.23 68.39 11 3 -6 8.11 6.94 11 3 -6 4.88 9.68 11 3 -6 37.37 5.32 -11 -3 6 -9.09 17.04 -11 -3 6 12.90 10.27 11 3 -6 5.93 6.05 11 3 -6 8.64 9.40 11 3 -5 346.42 24.01 11 3 -5 303.05 26.42 -11 -3 5 390.04 34.90 11 3 -5 324.13 23.53 11 3 -5 327.87 23.51 -11 -3 5 304.23 26.67 11 3 -5 291.75 25.85 11 3 -4 85.47 9.37 11 3 -4 68.97 11.65 11 3 -4 96.60 9.95 -11 -3 4 115.00 18.85 11 3 -4 77.76 9.10 11 3 -4 83.30 12.90 -11 -3 4 59.20 11.90 -11 -3 3 1.70 16.02 11 3 -3 5.11 8.61 11 3 -3 10.83 7.12 11 3 -3 0.36 5.59 11 3 -3 -2.70 9.45 -11 -3 3 -0.79 8.41 -11 -3 2 93.78 17.57 11 3 -2 97.04 12.82 11 3 -2 92.12 11.46 11 3 -2 108.70 9.58 11 3 -2 90.18 13.73 -11 -3 2 104.11 12.79 -11 -3 1 19.92 13.43 11 3 -1 7.68 7.65 11 3 -1 13.58 8.89 11 3 -1 7.70 5.07 -11 -3 1 5.43 8.42 11 3 -1 9.70 10.28 -11 -3 1 6.05 10.77 -11 -3 0 738.10 55.12 11 3 0 719.67 51.66 11 3 0 782.51 52.39 11 3 0 745.38 49.11 -11 -3 0 711.26 51.10 11 3 0 735.25 53.43 -11 -3 0 733.97 54.82 -11 -3 -1 72.06 14.60 11 3 1 85.49 12.64 11 3 1 100.25 12.59 11 3 1 104.69 8.26 -11 -3 -1 95.85 11.43 11 3 1 71.46 14.03 -11 -3 -1 75.55 15.44 -11 -3 -2 39.97 13.37 11 3 2 14.91 9.96 11 3 2 13.76 9.04 11 3 2 32.14 4.32 -11 -3 -2 21.77 8.52 -11 -3 -2 13.17 12.26 11 3 2 20.18 10.97 11 3 3 993.70 61.23 11 3 3 902.07 65.95 -11 -3 -3 922.70 67.49 11 3 3 978.32 65.18 11 3 3 926.33 65.10 11 3 3 859.52 64.81 -11 -3 -3 855.15 63.78 11 3 3 836.57 66.39 -11 -3 -3 841.44 67.88 11 3 4 210.32 20.02 -11 -3 -4 204.98 21.03 11 3 4 183.66 18.43 11 3 4 187.95 18.67 -11 -3 -4 200.81 17.14 11 3 4 189.56 20.67 -11 -3 -4 215.62 22.66 -11 -3 -5 21.68 11.32 11 3 5 36.70 12.27 11 3 5 30.89 9.59 11 3 5 51.15 11.01 -11 -3 -5 29.60 8.15 -11 -3 -5 51.92 14.67 11 3 5 49.00 12.89 -11 -3 -6 -1.14 10.43 11 3 6 -2.17 12.29 11 3 6 2.73 9.71 11 3 6 5.48 9.75 11 3 6 12.79 11.29 -11 -3 -7 160.90 18.20 11 3 7 146.11 18.50 11 3 7 149.69 16.48 11 3 7 140.83 16.88 11 3 7 143.47 17.34 -11 -3 -8 3.45 11.86 11 3 8 2.44 12.55 11 3 8 -2.50 10.37 11 3 8 5.04 11.09 -11 -3 -8 -22.41 15.21 11 3 9 321.67 28.79 -11 -3 -9 301.04 27.41 11 3 9 322.16 26.51 11 3 9 291.47 26.69 -11 -3 -9 262.21 32.82 -11 -3 -9 333.19 30.86 11 3 10 6.74 14.98 11 3 10 11.13 11.66 -11 -3 -10 12.02 15.47 -11 -3 -10 6.32 18.90 11 3 11 749.02 57.69 11 3 11 765.35 55.73 -11 -3 -11 781.30 62.64 -11 -3 -11 727.51 59.17 11 3 12 76.87 17.00 11 3 12 56.33 14.38 -11 -3 -12 22.22 18.22 11 3 13 52.49 16.32 11 4 -18 79.15 17.35 -11 -4 17 20.89 21.51 11 4 -17 21.65 11.44 11 4 -17 9.76 12.71 -11 -4 16 25.98 21.61 11 4 -16 14.25 10.72 11 4 -16 10.94 13.28 -11 -4 15 259.49 31.33 -11 -4 15 238.39 20.17 11 4 -15 237.75 21.48 11 4 -15 232.67 25.41 -11 -4 14 1319.61 85.41 -11 -4 14 1128.88 76.46 11 4 -14 1153.38 77.62 11 4 -14 1015.06 80.41 11 4 -13 102.00 12.97 -11 -4 13 72.82 20.78 -11 -4 13 100.51 11.88 11 4 -13 81.17 16.44 11 4 -13 96.04 11.74 -11 -4 13 88.55 17.93 -11 -4 12 1343.28 83.97 11 4 -12 1321.26 84.89 11 4 -12 1170.25 87.49 -11 -4 12 1018.27 87.40 11 4 -12 1299.32 83.76 11 4 -12 1229.39 83.13 11 4 -11 51.40 10.48 -11 -4 11 52.49 9.12 11 4 -11 54.20 13.12 11 4 -11 49.94 8.65 -11 -4 11 77.35 15.18 -11 -4 11 77.09 7.96 11 4 -11 48.45 8.66 11 4 -10 63.10 9.96 -11 -4 10 65.88 8.93 11 4 -10 50.24 12.45 11 4 -10 65.06 8.56 -11 -4 10 56.18 8.41 -11 -4 10 64.15 14.03 11 4 -10 60.37 9.36 11 4 -9 75.50 9.84 -11 -4 9 49.04 8.34 11 4 -9 40.79 11.63 -11 -4 9 48.63 8.48 11 4 -9 47.81 7.38 -11 -4 9 32.46 11.71 11 4 -9 54.01 8.72 11 4 -8 23.12 8.09 -11 -4 8 15.95 6.95 -11 -4 8 11.58 13.94 -11 -4 8 30.66 22.28 11 4 -8 8.86 9.64 -11 -4 8 13.98 10.72 11 4 -8 22.60 6.09 -11 -4 8 16.50 7.40 11 4 -8 25.67 8.47 -11 -4 7 1394.45 102.26 -11 -4 7 1410.85 91.05 -11 -4 7 1654.46 97.08 11 4 -7 1483.95 91.84 11 4 -7 1247.94 93.64 11 4 -7 1335.69 90.55 -11 -4 7 1449.36 92.57 -11 -4 7 1187.61 93.93 11 4 -7 1345.56 92.65 -11 -4 6 2000.98 132.20 -11 -4 6 1824.67 121.29 11 4 -6 1996.19 122.02 11 4 -6 1724.24 123.92 11 4 -6 2020.55 121.21 -11 -4 6 1599.92 123.80 11 4 -6 1807.30 120.78 11 4 -6 1778.55 123.04 11 4 -5 188.24 14.51 11 4 -5 148.99 16.38 11 4 -5 153.40 13.50 -11 -4 5 201.47 25.04 11 4 -5 155.04 12.63 -11 -4 5 137.30 16.48 11 4 -5 163.63 16.12 11 4 -4 18.07 6.39 11 4 -4 30.11 7.19 11 4 -4 18.16 8.45 -11 -4 4 25.38 14.71 11 4 -4 15.43 5.45 11 4 -4 24.60 9.65 -11 -4 4 30.16 9.60 11 4 -3 238.38 21.01 -11 -4 3 263.12 27.22 11 4 -3 256.39 19.44 11 4 -3 266.48 18.62 11 4 -3 234.54 21.63 -11 -4 3 230.81 23.01 -11 -4 3 203.51 20.03 -11 -4 2 64.94 14.45 11 4 -2 48.46 9.22 11 4 -2 27.89 8.87 11 4 -2 47.83 6.65 -11 -4 2 47.60 12.38 11 4 -2 35.68 10.02 -11 -4 2 37.41 8.77 11 4 -1 467.30 34.76 11 4 -1 450.78 35.10 -11 -4 1 488.48 39.48 11 4 -1 522.08 32.89 11 4 -1 443.96 36.40 -11 -4 1 427.89 37.60 -11 -4 1 480.17 34.46 -11 -4 0 712.75 52.10 11 4 0 650.34 48.24 11 4 0 677.04 48.47 11 4 0 769.64 46.00 -11 -4 0 593.09 47.10 11 4 0 687.59 49.94 -11 -4 0 648.39 51.28 -11 -4 -1 947.56 67.98 11 4 1 939.97 65.30 11 4 1 1011.08 65.63 11 4 1 941.11 64.37 -11 -4 -1 939.65 63.76 11 4 1 936.08 66.64 -11 -4 -1 905.93 67.87 -11 -4 -2 183.60 19.81 11 4 2 177.50 17.77 11 4 2 202.67 17.58 11 4 2 159.01 15.92 -11 -4 -2 166.91 14.82 -11 -4 -2 207.34 21.50 11 4 2 146.92 18.24 -11 -4 -3 788.41 59.04 11 4 3 855.58 57.99 11 4 3 818.14 56.36 -11 -4 -3 811.87 54.99 -11 -4 -3 760.76 59.49 11 4 3 822.90 58.72 -11 -4 -4 339.55 29.62 11 4 4 351.42 28.29 11 4 4 356.71 27.02 11 4 4 314.64 26.18 -11 -4 -4 351.04 25.13 -11 -4 -4 289.27 29.99 11 4 4 351.64 29.37 -11 -4 -5 442.99 33.91 11 4 5 392.11 32.94 11 4 5 392.05 30.38 11 4 5 417.06 31.31 -11 -4 -5 355.65 34.44 11 4 5 433.71 33.70 11 4 6 259.14 23.65 -11 -4 -6 206.75 23.02 11 4 6 253.15 21.05 11 4 6 240.85 21.64 11 4 6 231.64 23.21 -11 -4 -7 16.04 12.19 11 4 7 14.70 12.16 11 4 7 11.60 9.47 11 4 7 2.14 8.86 11 4 7 20.90 12.24 11 4 8 1214.05 84.91 -11 -4 -8 1221.14 84.53 11 4 8 1206.52 83.27 11 4 8 1199.60 84.96 11 4 9 22.72 13.79 11 4 9 49.18 12.74 -11 -4 -9 55.04 20.97 -11 -4 -9 8.25 15.30 11 4 10 150.39 20.25 11 4 10 165.29 18.65 -11 -4 -10 120.39 25.22 -11 -4 -10 151.19 22.84 11 4 11 159.58 21.48 11 4 11 155.03 18.88 -11 -4 -11 165.64 23.12 -11 -4 -11 167.61 26.84 11 4 12 114.64 17.16 11 5 -17 -2.64 10.62 11 5 -17 -10.12 13.69 -11 -5 16 152.53 26.85 11 5 -16 132.93 16.40 11 5 -16 104.41 17.66 -11 -5 15 25.79 8.95 -11 -5 15 10.44 20.78 11 5 -15 8.77 10.34 11 5 -15 18.47 12.36 -11 -5 14 55.82 10.03 11 5 -14 64.04 11.65 11 5 -14 56.27 14.16 -11 -5 13 980.39 64.97 11 5 -13 1003.96 66.23 -11 -5 13 903.01 69.50 11 5 -13 884.82 67.88 -11 -5 12 16.79 8.32 11 5 -12 7.60 9.15 11 5 -12 15.54 11.46 -11 -5 12 10.74 12.36 -11 -5 11 88.85 10.53 11 5 -11 96.15 12.20 11 5 -11 64.21 13.36 -11 -5 11 62.25 14.93 -11 -5 11 95.70 9.97 11 5 -11 84.28 9.32 11 5 -11 80.87 9.78 -11 -5 10 126.63 20.41 -11 -5 10 114.98 11.72 11 5 -10 125.51 13.18 11 5 -10 101.77 14.40 -11 -5 10 115.69 11.89 -11 -5 10 94.83 16.28 11 5 -10 117.42 10.34 11 5 -10 104.34 11.69 -11 -5 9 61.96 9.11 -11 -5 9 70.57 16.51 11 5 -9 95.50 10.78 11 5 -9 89.55 12.72 11 5 -9 70.76 7.54 -11 -5 9 77.38 10.32 -11 -5 9 65.24 13.41 11 5 -9 64.64 9.69 -11 -5 8 22.05 19.73 -11 -5 8 64.89 15.73 -11 -5 8 44.82 7.98 11 5 -8 44.79 9.38 11 5 -8 47.87 10.61 -11 -5 8 61.90 9.91 11 5 -8 51.47 5.98 -11 -5 8 39.62 11.57 11 5 -8 38.96 9.03 -11 -5 7 732.11 47.86 -11 -5 7 783.63 60.07 -11 -5 7 795.97 53.78 11 5 -7 777.57 48.93 11 5 -7 629.69 50.10 11 5 -7 680.04 46.62 -11 -5 7 739.72 49.81 -11 -5 7 619.98 50.41 11 5 -7 701.29 49.33 -11 -5 6 147.60 12.53 11 5 -6 150.35 13.76 11 5 -6 152.61 15.42 -11 -5 6 165.90 24.39 11 5 -6 137.75 10.71 -11 -5 6 130.59 15.60 11 5 -6 126.02 14.42 -11 -5 5 1309.82 86.80 11 5 -5 1592.32 88.08 11 5 -5 1472.91 87.54 11 5 -5 1346.35 89.44 -11 -5 5 1398.88 96.44 -11 -5 5 1183.22 88.77 11 5 -5 1204.41 85.79 11 5 -5 1344.58 89.13 11 5 -4 99.27 10.26 11 5 -4 99.01 12.49 11 5 -4 106.26 10.43 -11 -5 4 76.74 17.87 11 5 -4 78.36 7.58 -11 -5 4 93.10 14.27 11 5 -4 85.83 12.28 -11 -5 4 94.67 11.61 11 5 -3 111.16 9.78 -11 -5 3 94.58 17.22 11 5 -3 88.19 11.94 11 5 -3 88.54 10.57 11 5 -3 79.74 7.61 -11 -5 3 97.73 15.04 11 5 -3 97.51 12.63 -11 -5 3 62.43 10.49 11 5 -2 248.91 17.14 11 5 -2 221.69 18.12 11 5 -2 217.02 18.84 -11 -5 2 222.47 23.35 11 5 -2 207.76 15.88 11 5 -2 194.85 19.31 -11 -5 2 164.75 20.58 -11 -5 2 183.81 17.14 -11 -5 1 6.71 11.65 11 5 -1 12.66 7.96 11 5 -1 1.44 8.22 11 5 -1 15.88 5.81 -11 -5 1 4.11 6.06 -11 -5 1 1.17 11.97 11 5 -1 3.59 9.14 -11 -5 0 174.45 20.38 11 5 0 195.60 16.80 11 5 0 162.00 16.50 11 5 0 185.38 13.07 -11 -5 0 154.43 14.12 11 5 0 165.53 18.01 -11 -5 0 130.68 19.17 -11 -5 -1 2043.76 133.98 11 5 1 1958.61 131.37 11 5 1 2123.48 131.31 11 5 1 1984.70 129.69 -11 -5 -1 1865.42 129.05 -11 -5 -1 1997.59 134.14 11 5 1 2025.44 132.62 -11 -5 -2 256.55 25.76 11 5 2 266.24 23.70 11 5 2 298.45 21.98 -11 -5 -2 284.71 20.63 -11 -5 -2 268.87 26.49 11 5 2 273.07 24.98 11 5 3 73.96 12.65 -11 -5 -3 74.26 14.67 11 5 3 96.47 11.45 -11 -5 -3 101.41 16.96 11 5 3 95.12 15.08 -11 -5 -4 607.25 47.24 11 5 4 642.87 46.74 11 5 4 611.79 44.45 -11 -5 -4 594.89 48.58 11 5 4 700.09 47.52 -11 -5 -5 72.19 14.46 11 5 5 67.51 13.74 11 5 5 95.70 11.87 11 5 5 58.67 9.73 11 5 5 64.40 14.15 -11 -5 -5 69.96 14.99 -11 -5 -6 205.09 20.73 11 5 6 190.60 20.93 11 5 6 207.41 18.86 -11 -5 -6 182.17 23.06 11 5 6 196.07 21.22 -11 -5 -7 839.17 59.70 11 5 7 853.44 59.79 11 5 7 760.39 57.16 11 5 7 838.36 59.66 -11 -5 -8 6.91 11.97 11 5 8 10.61 13.54 11 5 8 3.56 10.03 11 5 9 1099.56 72.52 11 5 9 968.65 69.71 -11 -5 -9 952.42 75.47 -11 -5 -9 971.20 73.92 11 5 10 148.03 19.55 -11 -5 -10 175.45 25.67 -11 -5 -10 120.20 21.01 11 5 11 56.46 16.82 -11 -5 -11 29.12 18.94 11 6 -17 88.92 16.60 11 6 -16 -2.81 13.42 -11 -6 15 215.09 18.98 11 6 -15 232.33 22.11 11 6 -15 184.41 21.58 11 6 -14 54.90 13.14 -11 -6 14 56.06 10.16 11 6 -14 50.03 13.38 -11 -6 13 415.89 38.91 -11 -6 13 388.58 29.26 11 6 -13 438.00 31.32 -11 -6 13 320.71 33.42 11 6 -13 398.26 32.02 -11 -6 12 520.42 44.04 -11 -6 12 492.15 35.75 11 6 -12 552.13 37.55 -11 -6 12 535.79 35.18 -11 -6 12 435.88 39.58 11 6 -12 419.21 37.58 -11 -6 11 575.33 45.44 -11 -6 11 516.46 37.14 11 6 -11 577.44 39.00 -11 -6 11 474.67 40.69 -11 -6 11 558.18 37.41 11 6 -11 457.45 38.83 -11 -6 10 0.96 7.16 -11 -6 10 7.69 15.59 11 6 -10 1.38 8.86 11 6 -10 -7.87 9.91 -11 -6 10 8.83 8.54 -11 -6 10 -2.27 11.16 -11 -6 9 9.54 7.02 -11 -6 9 10.20 13.55 11 6 -9 7.17 8.92 11 6 -9 17.46 9.44 -11 -6 9 9.87 8.46 -11 -6 9 11.53 10.11 11 6 -9 -0.55 7.22 -11 -6 8 192.60 21.91 -11 -6 8 165.27 13.91 11 6 -8 167.35 15.97 -11 -6 8 155.15 24.92 11 6 -8 134.90 15.95 -11 -6 8 147.52 17.09 -11 -6 8 176.06 16.14 11 6 -8 141.63 14.70 -11 -6 7 38.92 7.47 -11 -6 7 64.95 15.57 11 6 -7 53.19 9.67 11 6 -7 36.69 9.49 -11 -6 7 51.44 18.98 -11 -6 7 42.73 10.77 -11 -6 7 46.61 10.19 11 6 -7 35.59 9.26 -11 -6 6 1268.90 86.14 -11 -6 6 1368.15 96.00 -11 -6 6 1438.66 91.77 11 6 -6 1577.53 88.14 11 6 -6 1295.79 88.15 -11 -6 6 1122.01 87.75 -11 -6 6 1335.31 88.73 -11 -6 6 1182.40 89.29 11 6 -6 1299.41 87.78 -11 -6 5 285.18 20.29 11 6 -5 280.02 22.74 -11 -6 5 272.58 29.94 -11 -6 5 267.23 22.18 -11 -6 5 232.31 24.46 11 6 -5 290.85 23.28 11 6 -4 184.72 16.89 -11 -6 4 188.67 23.31 -11 -6 4 192.03 14.07 -11 -6 4 183.21 19.08 11 6 -4 158.67 17.29 -11 -6 4 151.60 15.39 -11 -6 3 113.57 18.72 11 6 -3 115.33 12.00 11 6 -3 108.43 12.69 11 6 -3 129.22 11.57 -11 -6 3 93.10 10.69 11 6 -3 101.62 13.59 -11 -6 3 84.69 15.32 11 6 -2 723.20 42.10 11 6 -2 719.31 44.23 11 6 -2 672.46 43.49 -11 -6 2 628.05 44.89 -11 -6 2 746.44 49.36 11 6 -2 588.55 40.31 11 6 -2 573.30 40.16 -11 -6 2 589.32 41.83 -11 -6 2 673.59 46.90 11 6 -2 644.71 44.93 -11 -6 1 76.04 12.88 -11 -6 1 94.85 16.23 11 6 -1 73.43 11.09 11 6 -1 84.52 11.06 11 6 -1 77.30 7.75 11 6 -1 77.73 12.86 -11 -6 1 62.11 7.90 -11 -6 1 66.53 14.43 -11 -6 0 30.72 11.28 -11 -6 0 14.99 11.86 11 6 0 29.36 9.40 11 6 0 31.34 8.06 11 6 0 37.59 11.91 -11 -6 0 34.39 5.75 -11 -6 0 25.30 12.57 -11 -6 -1 44.04 12.06 -11 -6 -1 62.49 12.91 11 6 1 49.13 10.93 11 6 1 53.09 7.25 11 6 1 46.76 12.46 -11 -6 -1 43.58 13.46 -11 -6 -2 635.80 46.95 -11 -6 -2 639.31 47.04 11 6 2 592.29 44.99 -11 -6 -2 648.51 48.20 11 6 2 612.43 46.04 -11 -6 -3 55.76 13.99 -11 -6 -3 33.36 12.22 11 6 3 38.94 11.02 11 6 3 49.58 8.34 11 6 3 51.14 12.92 -11 -6 -3 54.77 14.66 -11 -6 -4 57.90 14.20 -11 -6 -4 58.30 13.70 11 6 4 54.60 12.75 11 6 4 61.49 9.73 11 6 4 67.47 13.58 -11 -6 -4 40.23 14.50 -11 -6 -5 22.15 13.18 -11 -6 -5 20.53 12.60 11 6 5 29.66 11.16 11 6 5 23.50 8.86 11 6 5 34.91 12.03 -11 -6 -5 23.04 14.12 -11 -6 -6 273.88 24.69 11 6 6 249.06 23.67 -11 -6 -6 254.83 25.71 11 6 6 248.47 21.38 -11 -6 -6 214.34 25.00 11 6 6 261.49 24.61 11 6 7 -11.06 12.45 -11 -6 -7 -3.44 12.06 -11 -6 -8 742.01 53.13 11 6 8 678.00 52.74 11 6 9 74.45 15.70 -11 -6 -9 67.16 20.04 11 6 10 63.98 15.98 -11 -6 -10 69.98 20.19 -11 -6 -10 34.70 17.33 -11 -6 -11 130.31 25.05 -11 -7 15 204.58 30.05 -11 -7 14 143.56 26.10 -11 -7 14 146.53 14.96 -11 -7 13 321.79 33.46 -11 -7 13 310.68 23.31 -11 -7 13 273.85 27.61 11 7 -13 269.12 24.47 -11 -7 12 1004.12 72.20 -11 -7 12 910.98 64.04 -11 -7 12 1091.99 64.43 -11 -7 12 848.62 67.51 11 7 -12 847.28 65.30 -11 -7 11 5.13 14.55 -11 -7 11 -1.03 7.93 -11 -7 11 17.59 12.34 -11 -7 11 0.60 8.22 11 7 -11 -0.79 8.84 -11 -7 10 822.31 58.77 -11 -7 10 802.56 51.90 -11 -7 10 617.73 54.35 -11 -7 10 874.99 53.36 11 7 -10 671.34 52.79 -11 -7 9 407.77 32.57 -11 -7 9 319.26 24.02 -11 -7 9 362.95 26.33 -11 -7 9 256.59 26.58 11 7 -9 315.47 25.91 -11 -7 8 162.74 27.02 -11 -7 8 198.79 22.40 -11 -7 8 159.78 14.40 11 7 -8 172.21 15.94 -11 -7 8 155.51 17.11 -11 -7 8 152.43 16.30 -11 -7 7 37.60 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104.51 12 -9 -5 16.01 9.59 12 -9 -5 10.80 14.59 -12 9 5 26.58 10.48 -12 9 5 30.90 15.17 12 -9 -4 1250.16 79.49 12 -9 -4 980.09 83.86 -12 9 4 1363.48 80.84 -12 9 4 937.53 82.97 12 -9 -3 467.66 31.54 12 -9 -3 383.42 36.09 -12 9 3 420.31 32.46 12 -9 -3 398.55 38.83 -12 9 3 342.98 35.92 -12 9 2 28.15 25.84 12 -9 -2 44.63 10.25 12 -9 -2 29.90 13.21 -12 9 2 55.80 11.61 12 -9 -2 24.44 18.15 -12 9 2 32.73 14.10 12 -9 -1 625.99 40.18 12 -9 -1 466.68 43.46 -12 9 1 634.33 42.37 12 -9 -1 528.80 46.41 12 -9 -1 489.45 46.94 -12 9 1 489.18 44.71 12 -9 0 9.30 11.36 -12 9 0 22.44 23.42 12 -9 0 -3.49 16.19 -12 9 0 -4.56 14.34 12 -9 0 -8.25 17.16 12 -9 1 112.18 16.50 -12 9 -1 144.29 28.13 12 -9 1 151.59 22.38 -12 9 -1 108.05 19.71 12 -9 1 105.46 21.56 12 -9 2 993.15 69.64 -12 9 -2 1074.64 79.98 -12 9 -2 972.19 71.22 12 -9 2 870.06 73.24 12 -9 3 1.16 10.61 -12 9 -3 16.43 18.90 12 -9 3 55.25 17.23 -12 9 -3 22.09 14.24 -12 9 -3 24.55 18.90 12 -9 4 51.37 13.03 -12 9 -4 57.59 23.16 12 -9 4 39.77 16.61 -12 9 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2 -3 4.30 8.05 -13 -2 3 -2.26 17.63 13 2 -3 4.55 6.66 13 2 -3 7.88 12.86 -13 -2 3 14.91 11.13 13 2 -2 56.84 10.21 13 2 -2 62.57 12.07 -13 -2 2 58.89 19.85 13 2 -2 45.31 8.02 -13 -2 2 37.67 11.07 13 2 -2 24.55 13.08 -13 -2 1 -11.71 16.16 13 2 -1 8.26 9.33 13 2 -1 11.98 11.08 13 2 -1 1.41 6.03 -13 -2 1 11.55 10.56 13 2 -1 7.21 12.57 13 2 0 571.38 40.56 13 2 0 545.57 41.34 -13 -2 0 541.45 46.58 13 2 0 553.67 37.22 -13 -2 0 502.11 40.31 13 2 0 541.63 42.84 13 2 1 31.02 11.59 13 2 1 54.29 11.71 -13 -2 -1 30.17 10.40 13 2 1 19.12 13.22 -13 -2 -2 1031.90 71.26 13 2 2 968.68 66.40 13 2 2 958.04 66.57 -13 -2 -2 902.82 65.14 13 2 2 887.66 68.00 -13 -2 -3 86.77 18.39 13 2 3 114.63 15.43 13 2 3 77.76 13.31 -13 -2 -3 114.59 13.21 13 2 3 79.90 16.73 -13 -2 -4 4.72 13.22 13 2 4 4.36 12.62 13 2 4 3.87 10.28 13 2 4 18.15 12.15 13 2 4 10.37 10.99 -13 -2 -4 3.03 9.25 13 2 5 -2.32 12.94 13 2 5 -6.52 10.84 -13 -2 -5 4.50 9.47 13 2 6 162.34 20.59 13 2 7 273.34 26.95 13 2 8 71.45 18.09 13 2 9 92.10 19.04 13 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5 10.27 13.15 13 3 6 8.47 12.55 -13 -3 -6 3.61 15.24 13 3 7 23.05 14.48 13 3 8 197.42 23.82 13 4 -15 79.17 13.77 -13 -4 15 40.55 16.23 13 4 -15 33.90 13.88 13 4 -14 40.06 11.67 13 4 -14 27.43 12.64 13 4 -13 97.82 13.74 -13 -4 13 79.26 22.57 -13 -4 13 89.93 11.70 -13 -4 13 66.00 16.04 13 4 -13 72.27 15.66 13 4 -12 10.75 10.45 -13 -4 12 1.12 8.20 -13 -4 12 31.85 13.40 13 4 -12 -7.56 11.62 13 4 -11 429.94 30.96 -13 -4 11 415.51 29.78 -13 -4 11 348.02 34.10 13 4 -11 375.43 33.32 13 4 -10 746.93 48.04 13 4 -10 641.50 49.77 -13 -4 10 593.79 50.36 13 4 -9 -0.62 8.51 13 4 -9 15.66 11.34 -13 -4 9 13.49 11.49 13 4 -9 1.48 9.22 13 4 -8 65.76 10.35 -13 -4 8 38.52 22.51 -13 -4 8 70.56 17.32 13 4 -8 47.58 12.52 -13 -4 8 54.16 13.63 -13 -4 8 68.66 10.90 13 4 -8 60.39 11.08 13 4 -7 31.50 10.99 -13 -4 7 36.83 21.40 13 4 -7 51.04 9.51 -13 -4 7 51.56 15.34 13 4 -7 64.34 11.13 -13 -4 7 25.89 11.54 13 4 -6 311.33 23.13 13 4 -6 288.44 25.92 -13 -4 6 307.72 35.72 -13 -4 6 258.22 25.47 13 4 -6 307.83 25.46 13 4 -5 106.10 15.37 13 4 -5 153.86 13.12 -13 -4 5 135.97 24.63 13 4 -5 125.13 13.19 13 4 -5 162.99 16.68 -13 -4 5 100.74 15.68 13 4 -4 178.98 15.84 13 4 -4 163.75 18.17 -13 -4 4 141.56 25.59 13 4 -4 176.43 15.27 13 4 -4 201.07 19.74 -13 -4 4 152.92 18.19 13 4 -3 240.82 21.12 13 4 -3 277.26 23.50 -13 -4 3 280.27 30.67 13 4 -3 280.46 20.01 13 4 -3 263.42 24.51 -13 -4 3 219.60 21.80 13 4 -2 498.89 38.44 13 4 -2 542.71 37.00 -13 -4 2 561.19 45.16 -13 -4 2 438.40 36.83 13 4 -2 540.66 39.60 -13 -4 1 23.98 16.15 13 4 -1 22.96 9.50 13 4 -1 19.36 11.14 -13 -4 1 38.14 9.52 13 4 -1 26.48 12.72 -13 -4 0 180.61 24.33 13 4 0 187.45 18.00 13 4 0 206.89 18.96 -13 -4 0 155.30 16.14 13 4 0 159.32 19.99 13 4 1 7.63 10.69 -13 -4 -1 1.67 17.08 13 4 1 0.91 11.00 -13 -4 -1 -5.35 8.14 13 4 1 8.25 11.24 -13 -4 -2 336.58 31.37 13 4 2 302.47 26.50 13 4 2 325.33 26.93 -13 -4 -2 260.22 29.37 13 4 2 340.30 29.25 -13 -4 -3 204.84 24.98 13 4 3 223.75 21.56 -13 -4 -3 191.13 24.62 13 4 4 519.00 40.11 -13 -4 -4 501.45 43.68 13 4 5 40.18 13.57 -13 -4 -5 35.09 16.55 13 4 6 29.58 14.99 -13 -4 -6 50.56 16.71 13 4 7 43.78 16.36 13 4 8 344.76 32.57 13 5 -15 67.90 14.38 13 5 -14 228.25 21.36 13 5 -14 196.12 21.78 -13 -5 13 32.72 9.62 13 5 -13 46.56 11.74 -13 -5 13 16.32 13.15 13 5 -13 9.49 12.31 -13 -5 12 35.83 9.40 13 5 -12 49.94 12.19 -13 -5 12 47.35 14.68 13 5 -12 38.88 11.97 -13 -5 11 74.60 21.57 -13 -5 11 126.43 12.75 13 5 -11 104.76 14.12 -13 -5 11 80.00 16.32 13 5 -11 103.89 15.26 -13 -5 10 -20.05 18.09 -13 -5 10 -0.51 7.66 13 5 -10 8.84 9.53 -13 -5 10 16.04 12.10 13 5 -10 -2.12 10.81 -13 -5 9 529.28 37.65 -13 -5 9 608.62 45.99 13 5 -9 590.80 39.23 13 5 -9 508.42 40.76 -13 -5 9 465.32 41.10 -13 -5 8 21.08 15.77 -13 -5 8 8.67 20.47 13 5 -8 23.60 9.24 13 5 -8 10.01 10.87 -13 -5 8 -1.07 11.09 -13 -5 8 12.42 10.00 13 5 -8 17.46 9.39 13 5 -7 263.47 20.26 13 5 -7 233.66 22.06 -13 -5 7 255.02 33.35 -13 -5 7 192.87 21.91 -13 -5 7 234.46 21.46 13 5 -7 220.96 20.94 13 5 -6 -9.48 10.53 -13 -5 6 5.17 19.22 13 5 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167.86 23.73 13 5 6 399.81 33.67 13 5 7 274.62 27.33 13 6 -15 85.48 16.31 13 6 -14 147.83 18.61 13 6 -13 97.60 15.65 13 6 -12 406.14 36.24 -13 -6 12 477.20 34.24 13 6 -12 531.36 36.93 13 6 -11 29.82 10.31 -13 -6 11 -2.69 8.84 -13 -6 11 -12.66 17.62 13 6 -11 1.62 11.71 13 6 -10 5.81 10.75 -13 -6 10 38.31 9.27 -13 -6 10 1.72 17.05 13 6 -10 23.97 10.94 13 6 -9 194.06 20.78 -13 -6 9 230.14 26.46 -13 -6 9 227.83 18.22 13 6 -9 245.54 21.19 -13 -6 8 -2.81 20.15 -13 -6 8 21.66 16.37 -13 -6 8 2.29 7.17 13 6 -8 -1.45 10.44 13 6 -8 17.43 9.99 -13 -6 8 -3.97 9.63 13 6 -8 2.21 9.35 -13 -6 7 106.71 19.54 13 6 -7 97.84 14.25 13 6 -7 101.61 13.86 -13 -6 7 59.58 22.86 -13 -6 7 85.29 13.72 13 6 -7 85.64 12.97 -13 -6 6 765.15 67.10 -13 -6 6 892.37 61.72 13 6 -6 790.21 57.60 -13 -6 6 789.73 57.43 13 6 -6 837.75 57.53 13 6 -5 94.49 12.94 -13 -6 5 87.22 21.55 13 6 -5 81.81 13.83 13 6 -4 598.46 42.97 -13 -6 4 626.80 51.94 13 6 -4 553.84 43.22 13 6 -3 146.91 14.93 13 6 -3 120.87 15.32 -13 -6 3 173.06 24.37 13 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96.66 16.90 -13 -9 4 1.42 16.14 -13 -9 4 29.72 19.50 -13 -9 4 1.15 11.00 -13 -9 4 2.74 13.31 -13 -9 3 32.84 17.49 -13 -9 3 34.29 19.05 -13 -9 3 35.70 13.69 -13 -9 3 18.33 14.51 -13 -9 2 -7.47 16.59 -13 -9 2 -12.07 15.12 -13 -9 2 17.49 13.64 -13 -9 1 113.39 21.51 -13 -9 1 137.14 17.51 -13 -9 1 109.89 19.09 -13 -9 0 319.00 27.98 -13 -9 0 284.09 29.69 -13 -9 0 249.85 29.45 -13 -9 -1 10.42 13.87 -13 -9 -1 -4.96 15.95 -13 -9 -1 12.80 16.79 13 9 2 465.89 36.86 13 9 3 212.96 22.25 13 9 4 191.56 21.17 -13 -10 7 26.84 17.88 -13 -10 7 7.52 12.73 -13 -10 6 4.80 15.82 -13 -10 6 13.00 12.50 -13 -10 5 10.73 15.78 -13 -10 5 16.40 12.44 -13 -10 5 20.14 13.95 -13 -10 4 373.11 33.38 -13 -10 4 363.54 31.39 -13 -10 4 320.06 32.01 -13 -10 3 108.68 18.69 -13 -10 3 77.49 16.56 -13 -10 2 81.63 19.73 -13 -10 2 99.35 18.16 -13 -10 1 25.20 15.20 -13 -10 1 13.78 15.27 -13 -10 0 336.58 32.57 -13 -11 5 22.31 17.72 -13 -11 5 28.76 14.92 -13 -11 4 416.57 36.43 -13 -11 4 352.50 33.44 -13 -11 3 141.95 21.32 -13 -11 3 126.48 20.04 -13 -11 2 105.46 19.41 -13 -11 2 86.70 18.96 -13 -11 1 439.20 37.93 -13 -11 0 -1.32 16.02 -13 -11 -1 240.69 26.21 -13 -12 4 72.62 17.07 -13 -12 3 556.16 46.13 -13 -12 2 8.84 17.21 -13 -12 1 41.06 17.32 -14 12 -1 45.39 14.99 -14 11 0 188.29 20.82 14 -11 1 14.73 11.55 -14 11 -1 4.53 13.25 14 -11 2 649.39 46.56 -14 11 -2 644.43 50.12 14 -10 -4 40.55 11.18 14 -10 -3 28.69 11.35 14 -10 -2 1.34 11.20 14 -10 -1 510.86 37.14 -14 10 1 486.19 38.75 14 -10 0 46.91 12.10 -14 10 0 64.21 13.89 14 -10 1 291.31 24.38 -14 10 -1 304.68 27.47 14 -10 2 152.44 16.43 -14 10 -2 146.61 20.50 14 -10 3 852.82 59.11 -14 9 11 146.50 23.52 14 -9 -6 20.50 10.69 14 -9 -5 454.41 34.46 14 -9 -4 338.84 27.24 14 -9 -3 521.83 38.11 14 -9 -2 355.54 28.92 -14 9 2 393.50 30.51 14 -9 -1 173.74 17.53 -14 9 1 180.22 19.51 14 -9 0 5.47 9.93 14 -9 1 115.77 13.93 14 -9 1 86.42 21.01 14 -9 2 371.37 28.78 14 -9 2 380.38 36.41 14 -9 3 322.61 25.69 14 -9 3 314.29 33.87 14 -9 4 41.11 19.25 -14 8 13 215.65 28.69 -14 8 12 50.49 19.98 -14 8 11 131.49 22.02 14 -8 -9 275.80 28.51 14 -8 -8 294.70 24.67 14 -8 -8 275.14 28.46 14 -8 -7 11.21 9.77 14 -8 -7 2.49 14.29 14 -8 -6 -6.12 10.52 14 -8 -5 67.20 12.12 14 -8 -4 226.66 19.08 14 -8 -4 166.08 22.67 14 -8 -3 23.64 9.97 -14 8 3 22.22 10.95 14 -8 -3 1.61 13.73 14 -8 -2 583.91 39.68 -14 8 2 610.67 41.14 14 -8 -2 445.02 43.34 14 -8 -2 481.74 43.77 14 -8 -1 303.62 23.45 14 -8 -1 253.72 27.53 14 -8 -1 273.14 28.77 14 -8 0 291.39 21.87 14 -8 0 263.70 30.70 14 -8 0 233.03 27.59 14 -8 0 215.09 25.42 14 -8 1 1.13 8.67 14 -8 1 1.91 18.68 14 -8 1 3.32 15.56 14 -8 2 139.73 14.22 14 -8 2 127.25 23.81 14 -8 2 124.37 21.49 14 -8 3 124.49 13.63 14 -8 3 107.70 23.21 14 -8 3 136.51 21.52 14 -8 4 209.54 27.63 -14 7 13 348.99 36.82 -14 7 12 12.70 20.10 -14 7 11 293.08 32.65 14 -7 -11 316.68 29.97 14 -7 -10 44.59 12.82 14 -7 -10 34.92 15.14 14 -7 -9 8.64 10.81 14 -7 -9 10.99 14.55 14 -7 -8 79.55 13.01 14 -7 -8 74.56 16.51 14 -7 -7 105.33 14.19 14 -7 -7 111.53 18.11 14 -7 -6 54.93 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12.18 15 0 1 98.38 15.12 15 0 2 3.34 12.54 15 0 3 -5.93 12.89 15 0 4 229.44 25.27 15 0 5 632.88 49.65 15 1 -12 187.83 19.03 -15 -1 11 517.90 50.28 15 1 -11 583.84 50.04 -15 -1 10 153.90 23.18 15 1 -10 166.70 22.47 15 1 -9 381.15 39.47 15 1 -9 572.96 37.06 15 1 -8 70.67 15.75 15 1 -8 91.26 11.55 -15 -1 8 65.60 17.48 15 1 -7 16.46 12.25 15 1 -7 8.78 8.55 15 1 -7 9.28 12.46 -15 -1 7 -7.02 12.95 15 1 -6 12.01 12.14 15 1 -6 25.39 13.16 -15 -1 6 27.05 12.59 15 1 -5 244.15 24.44 15 1 -5 245.14 24.84 -15 -1 5 229.78 24.27 15 1 -4 245.24 23.68 15 1 -4 249.31 25.27 -15 -1 4 208.75 23.41 15 1 -3 1603.22 110.25 15 1 -2 135.17 17.93 15 1 -1 413.56 34.55 15 1 0 85.40 15.36 15 1 1 49.87 12.84 15 1 2 236.11 23.46 15 1 3 210.46 23.07 15 1 4 60.78 17.08 15 1 5 410.97 35.84 15 2 -12 28.33 14.21 15 2 -12 11.06 11.02 15 2 -11 546.19 47.02 15 2 -11 640.30 44.02 15 2 -10 351.05 33.56 15 2 -10 414.76 30.42 15 2 -9 12.39 13.01 15 2 -9 13.60 9.87 15 2 -8 258.10 25.63 15 2 -7 1.30 11.90 15 2 -7 23.01 13.27 15 2 -6 10.20 11.76 15 2 -6 2.29 11.54 15 2 -5 81.13 15.57 15 2 -5 117.05 17.00 15 2 -4 237.70 24.07 15 2 -3 336.04 29.88 15 2 -2 1092.97 77.31 15 2 -1 8.13 11.41 15 2 0 124.78 17.49 15 2 1 -5.81 12.35 15 2 2 89.69 15.29 15 2 3 520.16 41.29 15 2 4 619.98 47.99 15 2 5 93.29 18.26 15 3 -13 116.70 19.23 15 3 -12 46.08 15.00 15 3 -12 15.06 11.23 15 3 -11 153.31 19.93 15 3 -11 168.57 17.67 15 3 -10 262.52 25.79 15 3 -9 -7.71 12.26 15 3 -8 2.51 12.56 15 3 -7 11.06 13.33 15 3 -6 77.07 14.81 15 3 -6 109.71 16.08 15 3 -5 53.16 13.24 15 3 -5 35.18 13.30 15 3 -4 156.79 19.74 15 3 -3 378.08 31.89 15 3 -2 7.89 12.08 15 3 -1 96.21 15.74 15 3 0 28.93 12.46 15 3 2 -5.08 12.88 15 3 3 5.40 13.73 15 3 4 121.41 18.89 15 4 -11 65.35 15.74 15 4 -10 51.52 14.53 15 4 -9 21.81 12.05 15 4 -8 171.12 19.72 15 4 -7 3.50 10.83 15 4 -6 98.75 15.45 15 4 -6 93.78 15.93 15 4 -5 50.32 12.96 15 4 -5 29.35 12.92 15 4 -4 12.16 11.38 15 4 -3 14.26 11.16 15 4 -2 331.28 28.88 15 4 -1 173.56 19.76 15 4 0 -4.35 11.74 15 4 3 1.07 12.71 15 4 4 373.69 32.39 15 5 -9 6.73 11.56 15 5 -8 84.48 14.80 15 5 -7 274.62 25.41 15 5 -6 3.22 10.94 15 5 -5 12.75 11.24 15 5 -4 14.77 11.97 15 5 -3 139.68 17.59 15 5 -2 60.84 13.11 15 5 -1 26.32 11.81 15 5 4 134.89 19.23 15 6 -7 8.16 11.00 15 6 -6 17.24 11.25 15 6 -5 1.01 10.75 15 6 -4 306.01 26.59 15 6 -3 37.36 11.52 15 6 -2 65.13 13.29 16 -6 -5 6.06 10.77 16 -5 -7 702.63 50.02 16 -5 -6 6.65 11.13 16 -4 -8 -12.43 11.09 16 -4 -7 237.50 21.22 16 -3 -9 95.95 14.09 16 -3 -8 43.20 12.09 16 -2 -9 59.02 12.13 16 -1 -10 -14.09 11.67 0 0 0 0.00 0.00 TITL CZY_I_146 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 12.083331 15.284762 18.572325 93.8155 98.6075 93.3645 ZERR 6.00 0.000186 0.000225 0.000311 0.0013 0.0013 0.0012 LATT 1 SFAC C H Ir U UNIT 180.00 324.00 18.00 6.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 66924 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 3.064 _oxdiff_exptl_absorpt_empirical_full_min 0.418 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group U01 U 0.52518(2) 0.42358(2) 0.07633(2) 0.01134(5) Uani 1 1 d . . . . . U02 U 1.02044(2) 0.07027(2) 0.42235(2) 0.01224(5) Uani 1 1 d . . . . . Ir03 Ir 0.36679(2) 0.41461(2) -0.05386(2) 0.01153(5) Uani 1 1 d . . . . . Ir04 Ir 0.82510(2) -0.01028(2) 0.46498(2) 0.01306(5) Uani 1 1 d . . . . . Ir05 Ir 0.67117(2) 0.27438(2) 0.07461(2) 0.01181(5) Uani 1 1 d . . . . . Ir06 Ir 0.41935(2) 0.44330(2) 0.21047(2) 0.01351(5) Uani 1 1 d . . . . . Ir07 Ir 1.07171(2) -0.00617(2) 0.27963(2) 0.01494(5) Uani 1 1 d . . . . . Ir08 Ir 1.01217(2) 0.26328(2) 0.45093(2) 0.01365(5) Uani 1 1 d . . . . . C009 C 0.6601(4) 0.0405(4) 0.4852(3) 0.0195(12) Uani 1 1 d . . . . . C00A C 0.6562(4) -0.0495(4) 0.5025(3) 0.0197(12) Uani 1 1 d . . . . . C00B C 0.2591(4) 0.4719(4) 0.2476(3) 0.0165(11) Uani 1 1 d . . . . . C00C C 0.7030(5) 0.1426(4) 0.0282(3) 0.0188(11) Uani 1 1 d . . . . . C00D C 0.3459(5) 0.5347(4) 0.2845(3) 0.0208(12) Uani 1 1 d . . . . . C00E C 0.2889(4) 0.3863(4) 0.2694(3) 0.0180(11) Uani 1 1 d . . . . . C00F C 1.0627(5) 0.3748(3) 0.5343(3) 0.0170(11) Uani 1 1 d . . . . . C00G C 0.9057(5) 0.3772(4) 0.4453(3) 0.0214(12) Uani 1 1 d . . . . . C00H C 0.7919(4) 0.1977(3) 0.1426(3) 0.0141(10) Uani 1 1 d . . . . . C00J C 0.7019(5) 0.1386(4) 0.1043(3) 0.0192(12) Uani 1 1 d . . . . . C00K C 0.1813(4) 0.3764(4) -0.0741(3) 0.0195(12) Uani 1 1 d . . . . . C00L C 1.0888(5) 0.0100(4) 0.1630(3) 0.0205(12) Uani 1 1 d . . . . . C00M C 0.2934(4) 0.3312(4) -0.1574(3) 0.0171(11) Uani 1 1 d . . . . . C00N C 0.3071(4) 0.2746(4) -0.0978(3) 0.0193(12) Uani 1 1 d . . . . . C00O C 0.2132(4) 0.3923(4) -0.1435(3) 0.0189(12) Uani 1 1 d . . . . . C00P C 1.1001(5) 0.3965(3) 0.4677(3) 0.0163(11) Uani 1 1 d . . . . . C00Q C 0.2362(4) 0.3011(4) -0.0473(3) 0.0190(12) Uani 1 1 d . . . . . C00R C 1.0074(5) -0.0599(4) 0.1655(3) 0.0249(13) Uani 1 1 d . . . . . C00S C 0.3931(5) 0.3981(4) 0.3187(3) 0.0207(12) Uani 1 1 d . . . . . C00T C 0.6647(4) -0.1010(4) 0.4382(3) 0.0198(12) Uani 1 1 d . . . . . C00U C 0.4263(5) 0.4901(4) 0.3279(3) 0.0227(13) Uani 1 1 d . . . . . C00V C 0.8472(4) 0.2384(4) 0.0887(3) 0.0191(11) Uani 1 1 d . . . . . C00W C 0.9420(5) 0.3625(4) 0.5206(3) 0.0222(12) Uani 1 1 d . . . . . C00X C 1.0623(6) -0.1267(4) 0.2052(3) 0.0296(15) Uani 1 1 d . . . . . C00Y C 1.1943(5) -0.0128(4) 0.2011(3) 0.0217(12) Uani 1 1 d . . . . . C00Z C 1.0033(5) 0.3984(4) 0.4129(3) 0.0186(11) Uani 1 1 d . . . . . C010 C 0.6707(5) -0.0442(4) 0.3799(3) 0.0211(12) Uani 1 1 d . . . . . C012 C 0.3809(5) 0.1986(4) -0.0938(3) 0.0272(13) Uani 1 1 d . . . . . H01A H 0.4532 0.2171 -0.1050 0.041 Uiso 1 1 calc R U . . . H01B H 0.3473 0.1515 -0.1283 0.041 Uiso 1 1 calc R U . . . H01C H 0.3892 0.1788 -0.0454 0.041 Uiso 1 1 calc R U . . . C016 C 1.1772(6) -0.0970(4) 0.2270(3) 0.0306(15) Uani 1 1 d . . . . . C017 C 0.1652(5) 0.4573(4) -0.1943(3) 0.0247(13) Uani 1 1 d . . . . . H01D H 0.0993 0.4307 -0.2251 0.037 Uiso 1 1 calc R U . . . H01E H 0.2198 0.4753 -0.2239 0.037 Uiso 1 1 calc R U . . . H01F H 0.1456 0.5077 -0.1664 0.037 Uiso 1 1 calc R U . . . C018 C 0.4498(5) 0.3267(5) 0.3589(4) 0.0341(16) Uani 1 1 d . . . . . H01G H 0.4277 0.2709 0.3322 0.051 Uiso 1 1 calc R U . . . H01H H 0.4282 0.3260 0.4066 0.051 Uiso 1 1 calc R U . . . H01I H 0.5297 0.3376 0.3636 0.051 Uiso 1 1 calc R U . . . C019 C 0.6643(4) 0.0433(4) 0.4087(3) 0.0192(12) Uani 1 1 d . . . . . C01B C 0.7936(5) 0.2039(4) 0.0181(3) 0.0226(12) Uani 1 1 d . . . . . C01E C 0.6383(5) -0.0805(5) 0.5746(3) 0.0378(18) Uani 1 1 d . . . . . H01 H 0.6723 -0.1352 0.5814 0.057 Uiso 1 1 calc R U . . . H H 0.5593 -0.0888 0.5760 0.057 Uiso 1 1 calc R U . . . HA H 0.6719 -0.0374 0.6129 0.057 Uiso 1 1 calc R U . . . C01F C 1.1356(6) 0.3707(4) 0.6064(3) 0.0283(14) Uani 1 1 d . . . . . H1 H 1.2087 0.3545 0.5986 0.042 Uiso 1 1 calc R U . . . HB H 1.1027 0.3277 0.6338 0.042 Uiso 1 1 calc R U . . . HC H 1.1420 0.4272 0.6331 0.042 Uiso 1 1 calc R U . . . C01G C 0.2216(5) 0.3006(4) 0.2488(4) 0.0304(14) Uani 1 1 d . . . . . H01J H 0.1751 0.3033 0.2025 0.046 Uiso 1 1 calc R U . . . H01K H 0.1753 0.2892 0.2853 0.046 Uiso 1 1 calc R U . . . H01L H 0.2714 0.2543 0.2456 0.046 Uiso 1 1 calc R U . . . C01H C 1.2196(5) 0.4214(4) 0.4591(3) 0.0249(13) Uani 1 1 d . . . . . H2 H 1.2348 0.4837 0.4693 0.037 Uiso 1 1 calc R U . . . HD H 1.2306 0.4052 0.4100 0.037 Uiso 1 1 calc R U . . . HE H 1.2695 0.3912 0.4925 0.037 Uiso 1 1 calc R U . . . C01I C 0.1559(5) 0.4933(5) 0.1978(3) 0.0295(14) Uani 1 1 d . . . . . H01M H 0.1739 0.5422 0.1707 0.044 Uiso 1 1 calc R U . . . H01N H 0.0988 0.5083 0.2264 0.044 Uiso 1 1 calc R U . . . H01O H 0.1290 0.4432 0.1645 0.044 Uiso 1 1 calc R U . . . C01J C 0.6321(6) 0.0831(4) -0.0313(3) 0.0317(15) Uani 1 1 d . . . . . H01P H 0.5587 0.0720 -0.0185 0.048 Uiso 1 1 calc R U . . . H01Q H 0.6666 0.0285 -0.0367 0.048 Uiso 1 1 calc R U . . . H01R H 0.6259 0.1109 -0.0764 0.048 Uiso 1 1 calc R U . . . C01L C 0.7861(5) 0.3763(5) 0.4086(4) 0.0325(15) Uani 1 1 d . . . . . H3 H 0.7403 0.3355 0.4306 0.049 Uiso 1 1 calc R U . . . HF H 0.7816 0.3588 0.3576 0.049 Uiso 1 1 calc R U . . . HG H 0.7598 0.4341 0.4143 0.049 Uiso 1 1 calc R U . . . C01M C 0.6486(5) 0.1188(5) 0.5356(4) 0.0343(15) Uani 1 1 d . . . . . H4 H 0.6907 0.1122 0.5828 0.051 Uiso 1 1 calc R U . . . HH H 0.5709 0.1233 0.5399 0.051 Uiso 1 1 calc R U . . . HI H 0.6768 0.1709 0.5163 0.051 Uiso 1 1 calc R U . . . C01O C 0.3471(5) 0.3228(4) -0.2259(3) 0.0268(13) Uani 1 1 d . . . . . H01S H 0.3658 0.3803 -0.2403 0.040 Uiso 1 1 calc R U . . . H01T H 0.2955 0.2908 -0.2643 0.040 Uiso 1 1 calc R U . . . H01U H 0.4140 0.2918 -0.2164 0.040 Uiso 1 1 calc R U . . . C01Q C 0.8688(6) 0.3424(4) 0.5771(3) 0.0320(15) Uani 1 1 d . . . . . H5 H 0.9065 0.3056 0.6114 0.048 Uiso 1 1 calc R U . . . HJ H 0.7994 0.3126 0.5535 0.048 Uiso 1 1 calc R U . . . HK H 0.8538 0.3963 0.6023 0.048 Uiso 1 1 calc R U . . . C01R C 1.0047(5) 0.4259(4) 0.3372(3) 0.0241(13) Uani 1 1 d . . . . . H6 H 0.9398 0.3992 0.3055 0.036 Uiso 1 1 calc R U . . . HL H 1.0713 0.4075 0.3199 0.036 Uiso 1 1 calc R U . . . HM H 1.0039 0.4887 0.3377 0.036 Uiso 1 1 calc R U . . . C01T C 0.9467(5) 0.3032(4) 0.1052(4) 0.0294(14) Uani 1 1 d . . . . . H01V H 0.9507 0.3301 0.1538 0.044 Uiso 1 1 calc R U . . . H01W H 0.9397 0.3476 0.0709 0.044 Uiso 1 1 calc R U . . . H01X H 1.0138 0.2736 0.1015 0.044 Uiso 1 1 calc R U . . . C01U C 0.8885(6) -0.0636(6) 0.1292(4) 0.050(2) Uani 1 1 d . . . . . H7 H 0.8637 -0.0051 0.1278 0.075 Uiso 1 1 calc R U . . . HN H 0.8424 -0.0980 0.1561 0.075 Uiso 1 1 calc R U . . . HO H 0.8828 -0.0900 0.0803 0.075 Uiso 1 1 calc R U . . . C01V C 0.0970(5) 0.4250(4) -0.0394(3) 0.0253(13) Uani 1 1 d . . . . . H01Y H 0.1051 0.4861 -0.0481 0.038 Uiso 1 1 calc R U . . . HP H 0.1089 0.4187 0.0122 0.038 Uiso 1 1 calc R U . . . HQ H 0.0229 0.4014 -0.0601 0.038 Uiso 1 1 calc R U . . . C01W C 0.2169(6) 0.2579(4) 0.0204(3) 0.0327(16) Uani 1 1 d . . . . . H01Z H 0.2104 0.3021 0.0585 0.049 Uiso 1 1 calc R U . . . HR H 0.2789 0.2235 0.0358 0.049 Uiso 1 1 calc R U . . . HS H 0.1490 0.2204 0.0102 0.049 Uiso 1 1 calc R U . . . C021 C 0.5247(5) 0.5333(5) 0.3802(3) 0.0331(16) Uani 1 1 d . . . . . H02A H 0.5847 0.4946 0.3849 0.050 Uiso 1 1 calc R U . . . H02B H 0.5024 0.5458 0.4271 0.050 Uiso 1 1 calc R U . . . H02C H 0.5497 0.5871 0.3619 0.050 Uiso 1 1 calc R U . . . C023 C 0.8269(5) 0.2085(4) 0.2236(3) 0.0281(14) Uani 1 1 d . . . . . H02D H 0.7614 0.2071 0.2472 0.042 Uiso 1 1 calc R U . . . H02E H 0.8694 0.2638 0.2367 0.042 Uiso 1 1 calc R U . . . H02F H 0.8722 0.1616 0.2388 0.042 Uiso 1 1 calc R U . . . C024 C 0.3437(6) 0.6326(4) 0.2816(4) 0.0317(15) Uani 1 1 d . . . . . H02G H 0.4192 0.6585 0.2874 0.048 Uiso 1 1 calc R U . . . H02H H 0.3069 0.6562 0.3203 0.048 Uiso 1 1 calc R U . . . H02I H 0.3037 0.6458 0.2354 0.048 Uiso 1 1 calc R U . . . C025 C 0.6240(5) 0.0798(4) 0.1390(3) 0.0285(14) Uani 1 1 d . . . . . H02J H 0.6540 0.0233 0.1437 0.043 Uiso 1 1 calc R U . . . H02K H 0.5517 0.0729 0.1091 0.043 Uiso 1 1 calc R U . . . H02L H 0.6168 0.1056 0.1865 0.043 Uiso 1 1 calc R U . . . C029 C 0.6606(6) -0.2007(4) 0.4296(4) 0.0354(16) Uani 1 1 d . . . . . H02P H 0.7016 -0.2189 0.3914 0.053 Uiso 1 1 calc R U . . . H02Q H 0.5840 -0.2238 0.4175 0.053 Uiso 1 1 calc R U . . . H02R H 0.6937 -0.2224 0.4746 0.053 Uiso 1 1 calc R U . . . C02C C 0.6579(5) 0.1225(4) 0.3655(4) 0.0336(15) Uani 1 1 d . . . . . H02S H 0.6972 0.1138 0.3247 0.050 Uiso 1 1 calc R U . . . H02T H 0.6915 0.1731 0.3960 0.050 Uiso 1 1 calc R U . . . H02U H 0.5807 0.1313 0.3482 0.050 Uiso 1 1 calc R U . . . C02E C 0.8292(6) 0.2221(5) -0.0528(3) 0.0363(16) Uani 1 1 d . . . . . H02M H 0.7650 0.2161 -0.0905 0.054 Uiso 1 1 calc R U . . . H02N H 0.8825 0.1812 -0.0641 0.054 Uiso 1 1 calc R U . . . H02O H 0.8632 0.2809 -0.0496 0.054 Uiso 1 1 calc R U . . . C1 C 1.0696(7) 0.0901(4) 0.1211(3) 0.0367(16) Uani 1 1 d . . . . . H1A H 1.0900 0.0798 0.0734 0.055 Uiso 1 1 calc R U . . . H1B H 1.1147 0.1396 0.1467 0.055 Uiso 1 1 calc R U . . . H1C H 0.9918 0.1020 0.1165 0.055 Uiso 1 1 calc R U . . . C2 C 0.6718(6) -0.0756(5) 0.3001(3) 0.0377(17) Uani 1 1 d . . . . . H2A H 0.5967 -0.0933 0.2769 0.057 Uiso 1 1 calc R U . . . H2B H 0.7177 -0.1246 0.2980 0.057 Uiso 1 1 calc R U . . . H2C H 0.7018 -0.0287 0.2753 0.057 Uiso 1 1 calc R U . . . C3 C 1.3048(6) 0.0408(5) 0.2080(4) 0.0422(19) Uani 1 1 d . . . . . H3A H 1.3531 0.0267 0.2510 0.063 Uiso 1 1 calc R U . . . H3B H 1.2920 0.1022 0.2118 0.063 Uiso 1 1 calc R U . . . H3C H 1.3395 0.0275 0.1658 0.063 Uiso 1 1 calc R U . . . C4 C 1.2690(8) -0.1493(6) 0.2635(4) 0.054(2) Uani 1 1 d . . . . . H4A H 1.2380 -0.1896 0.2940 0.081 Uiso 1 1 calc R U . . . H4B H 1.3257 -0.1101 0.2928 0.081 Uiso 1 1 calc R U . . . H4C H 1.3018 -0.1817 0.2269 0.081 Uiso 1 1 calc R U . . . C5 C 1.0092(9) -0.2163(5) 0.2151(4) 0.063(3) Uani 1 1 d . . . . . H5A H 1.0191 -0.2567 0.1751 0.095 Uiso 1 1 calc R U . . . H5B H 0.9305 -0.2121 0.2163 0.095 Uiso 1 1 calc R U . . . H5C H 1.0442 -0.2369 0.2601 0.095 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 U01 0.01207(9) 0.00999(10) 0.01192(8) 0.00039(7) 0.00194(7) 0.00065(7) U02 0.01371(9) 0.01007(10) 0.01344(9) 0.00023(7) 0.00392(7) 0.00103(7) Ir03 0.01045(9) 0.01011(10) 0.01330(9) -0.00128(7) 0.00109(7) -0.00094(7) Ir04 0.01210(10) 0.01215(10) 0.01530(9) -0.00031(7) 0.00391(7) 0.00074(8) Ir05 0.01302(10) 0.01048(10) 0.01193(9) -0.00028(7) 0.00211(7) 0.00163(7) Ir06 0.01324(10) 0.01374(11) 0.01422(9) 0.00077(7) 0.00413(7) 0.00158(8) Ir07 0.01935(10) 0.01224(11) 0.01327(9) -0.00144(7) 0.00382(8) 0.00073(8) Ir08 0.01673(10) 0.00982(10) 0.01471(9) 0.00016(7) 0.00359(8) 0.00133(8) C009 0.009(2) 0.028(3) 0.021(3) 0.000(2) 0.002(2) 0.004(2) C00A 0.009(2) 0.029(3) 0.020(3) 0.003(2) 0.001(2) -0.003(2) C00B 0.015(3) 0.019(3) 0.019(2) 0.004(2) 0.011(2) 0.007(2) C00C 0.022(3) 0.015(3) 0.019(3) -0.004(2) 0.002(2) 0.008(2) C00D 0.021(3) 0.024(3) 0.020(3) 0.004(2) 0.012(2) 0.003(2) C00E 0.018(3) 0.019(3) 0.020(3) 0.001(2) 0.011(2) 0.002(2) C00F 0.024(3) 0.009(3) 0.019(3) -0.002(2) 0.006(2) 0.001(2) C00G 0.020(3) 0.012(3) 0.030(3) -0.006(2) 0.002(2) 0.002(2) C00H 0.016(2) 0.010(3) 0.016(2) 0.000(2) -0.001(2) 0.009(2) C00J 0.019(3) 0.011(3) 0.026(3) 0.002(2) -0.002(2) 0.000(2) C00K 0.012(3) 0.019(3) 0.025(3) -0.002(2) 0.001(2) -0.008(2) C00L 0.026(3) 0.021(3) 0.015(2) -0.003(2) 0.007(2) 0.004(2) C00M 0.019(3) 0.013(3) 0.016(2) -0.005(2) -0.006(2) -0.002(2) C00N 0.012(2) 0.015(3) 0.027(3) -0.005(2) -0.004(2) 0.000(2) C00O 0.017(3) 0.016(3) 0.020(3) -0.005(2) -0.006(2) -0.002(2) C00P 0.021(3) 0.011(3) 0.017(2) 0.002(2) 0.002(2) 0.003(2) C00Q 0.017(3) 0.015(3) 0.023(3) 0.003(2) 0.000(2) -0.009(2) C00R 0.025(3) 0.031(4) 0.017(3) -0.008(2) 0.003(2) 0.001(3) C00S 0.017(3) 0.031(3) 0.017(2) 0.007(2) 0.007(2) 0.008(2) C00T 0.012(2) 0.019(3) 0.027(3) 0.004(2) -0.003(2) -0.001(2) C00U 0.019(3) 0.033(4) 0.016(3) -0.002(2) 0.005(2) -0.001(2) C00V 0.014(3) 0.014(3) 0.030(3) -0.001(2) 0.005(2) 0.009(2) C00W 0.028(3) 0.016(3) 0.025(3) 0.000(2) 0.013(2) 0.005(2) C00X 0.055(4) 0.013(3) 0.023(3) -0.005(2) 0.015(3) 0.002(3) C00Y 0.026(3) 0.023(3) 0.017(3) -0.007(2) 0.011(2) 0.004(2) C00Z 0.025(3) 0.012(3) 0.018(3) -0.003(2) 0.005(2) 0.000(2) C010 0.017(3) 0.026(3) 0.019(3) 0.001(2) 0.000(2) 0.003(2) C012 0.022(3) 0.020(3) 0.038(3) -0.004(3) -0.001(3) 0.005(2) C016 0.048(4) 0.031(4) 0.012(3) -0.006(2) 0.001(3) 0.015(3) C017 0.028(3) 0.020(3) 0.025(3) 0.001(2) -0.003(2) 0.007(2) C018 0.028(3) 0.045(4) 0.035(3) 0.021(3) 0.011(3) 0.018(3) C019 0.016(3) 0.016(3) 0.024(3) 0.005(2) 0.000(2) -0.002(2) C01B 0.029(3) 0.018(3) 0.023(3) 0.002(2) 0.010(2) 0.005(2) C01E 0.018(3) 0.068(5) 0.028(3) 0.019(3) 0.003(3) -0.009(3) C01F 0.039(4) 0.024(3) 0.020(3) -0.003(2) -0.003(3) 0.010(3) C01G 0.026(3) 0.024(3) 0.042(4) 0.000(3) 0.010(3) 0.000(3) C01H 0.021(3) 0.024(3) 0.030(3) 0.002(2) 0.007(2) -0.003(2) C01I 0.019(3) 0.040(4) 0.033(3) 0.016(3) 0.007(3) 0.009(3) C01J 0.043(4) 0.018(3) 0.028(3) -0.013(3) -0.007(3) 0.005(3) C01L 0.020(3) 0.029(4) 0.044(4) -0.007(3) -0.006(3) 0.004(3) C01M 0.024(3) 0.036(4) 0.041(4) -0.017(3) 0.004(3) 0.009(3) C01O 0.033(3) 0.027(3) 0.020(3) -0.008(2) 0.005(2) 0.004(3) C01Q 0.041(4) 0.024(3) 0.037(3) 0.003(3) 0.024(3) 0.003(3) C01R 0.036(3) 0.015(3) 0.021(3) 0.003(2) 0.001(2) 0.007(2) C01T 0.016(3) 0.025(3) 0.050(4) 0.006(3) 0.008(3) 0.008(2) C01U 0.028(4) 0.080(6) 0.036(4) -0.028(4) 0.004(3) -0.007(4) C01V 0.014(3) 0.028(3) 0.033(3) -0.001(3) 0.004(2) 0.001(2) C01W 0.036(4) 0.026(4) 0.035(3) 0.010(3) 0.006(3) -0.013(3) C021 0.027(3) 0.046(4) 0.024(3) -0.007(3) 0.004(3) -0.002(3) C023 0.031(3) 0.033(4) 0.018(3) 0.000(2) -0.003(2) 0.000(3) C024 0.036(4) 0.025(3) 0.037(3) -0.002(3) 0.015(3) 0.004(3) C025 0.032(3) 0.013(3) 0.040(3) 0.011(3) 0.001(3) -0.003(3) C029 0.031(3) 0.014(3) 0.057(4) -0.001(3) -0.003(3) -0.002(3) C02C 0.027(3) 0.029(4) 0.046(4) 0.016(3) 0.001(3) 0.006(3) C02E 0.044(4) 0.040(4) 0.030(3) 0.007(3) 0.019(3) 0.012(3) C1 0.063(5) 0.027(4) 0.023(3) 0.003(3) 0.012(3) 0.014(3) C2 0.039(4) 0.048(5) 0.022(3) -0.007(3) -0.001(3) -0.002(3) C3 0.031(4) 0.056(5) 0.038(4) -0.017(3) 0.015(3) -0.007(3) C4 0.085(6) 0.052(5) 0.025(3) -0.007(3) 0.001(4) 0.042(5) C5 0.125(8) 0.030(4) 0.038(4) -0.012(3) 0.039(5) -0.028(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Ir03 U01 U01 48.152(5) 2_665 2_665 ? Ir03 U01 U01 47.547(6) . 2_665 ? Ir03 U01 Ir03 95.699(7) 2_665 . ? Ir03 U01 Ir05 113.651(8) 2_665 . ? Ir03 U01 Ir05 110.617(8) . . ? Ir03 U01 Ir06 109.342(8) 2_665 . ? Ir03 U01 Ir06 112.809(8) . . ? Ir05 U01 U01 124.128(9) . 2_665 ? Ir05 U01 Ir06 113.473(8) . . ? Ir06 U01 U01 122.399(10) . 2_665 ? Ir04 U02 U02 48.268(6) 2_756 2_756 ? Ir04 U02 U02 47.985(6) . 2_756 ? Ir04 U02 Ir04 96.253(8) 2_756 . ? Ir04 U02 Ir07 113.644(8) . . ? Ir04 U02 Ir07 107.994(9) 2_756 . ? Ir04 U02 Ir08 107.135(8) . . ? Ir04 U02 Ir08 108.059(8) 2_756 . ? Ir07 U02 U02 122.140(9) . 2_756 ? Ir08 U02 U02 116.927(9) . 2_756 ? Ir08 U02 Ir07 120.846(8) . . ? U01 Ir03 U01 84.302(7) 2_665 . ? C00K Ir03 U01 127.58(15) . 2_665 ? C00K Ir03 U01 130.79(14) . . ? C00K Ir03 C00M 61.2(2) . . ? C00K Ir03 C00N 61.2(2) . . ? C00K Ir03 C00O 36.70(19) . . ? C00K Ir03 C00Q 36.9(2) . . ? C00M Ir03 U01 145.05(15) . . ? C00M Ir03 U01 114.85(13) . 2_665 ? C00M Ir03 C00N 37.15(19) . . ? C00M Ir03 C00O 36.4(2) . . ? C00M Ir03 C00Q 61.09(19) . . ? C00N Ir03 U01 113.27(14) . . ? C00N Ir03 U01 148.14(14) . 2_665 ? C00N Ir03 C00O 61.2(2) . . ? C00N Ir03 C00Q 36.1(2) . . ? C00O Ir03 U01 167.26(14) . . ? C00O Ir03 U01 106.21(14) . 2_665 ? C00O Ir03 C00Q 61.09(19) . . ? C00Q Ir03 U01 107.30(13) . . ? C00Q Ir03 U01 164.52(15) . 2_665 ? U02 Ir04 U02 83.746(7) 2_756 . ? C009 Ir04 U02 122.30(13) . 2_756 ? C009 Ir04 U02 133.02(15) . . ? C009 Ir04 C00A 36.6(2) . . ? C009 Ir04 C00T 60.4(2) . . ? C009 Ir04 C010 61.0(2) . . ? C009 Ir04 C019 36.77(19) . . ? C00A Ir04 U02 169.37(16) . . ? C00A Ir04 U02 101.24(13) . 2_756 ? C00T Ir04 U02 112.10(14) . 2_756 ? C00T Ir04 U02 150.31(14) . . ? C00T Ir04 C00A 35.6(2) . . ? C00T Ir04 C019 60.60(19) . . ? C010 Ir04 U02 146.67(15) . 2_756 ? C010 Ir04 U02 119.25(14) . . ? C010 Ir04 C00A 60.74(19) . . ? C010 Ir04 C00T 36.83(19) . . ? C010 Ir04 C019 36.3(2) . . ? C019 Ir04 U02 159.03(14) . 2_756 ? C019 Ir04 U02 112.20(13) . . ? C019 Ir04 C00A 60.84(19) . . ? C00C Ir05 U01 149.39(14) . . ? C00C Ir05 C00H 62.81(19) . . ? C00C Ir05 C00J 37.4(2) . . ? C00C Ir05 C01B 37.9(2) . . ? C00H Ir05 U01 144.79(13) . . ? C00H Ir05 C01B 62.9(2) . . ? C00J Ir05 U01 147.78(15) . . ? C00J Ir05 C00H 37.81(18) . . ? C00J Ir05 C01B 63.0(2) . . ? C00V Ir05 U01 144.25(14) . . ? C00V Ir05 C00C 63.0(2) . . ? C00V Ir05 C00H 37.88(19) . . ? C00V Ir05 C00J 63.2(2) . . ? C00V Ir05 C01B 37.4(2) . . ? C01B Ir05 U01 146.99(14) . . ? C00B Ir06 U01 141.84(13) . . ? C00B Ir06 C00D 38.0(2) . . ? C00B Ir06 C00E 38.1(2) . . ? C00B Ir06 C00S 63.2(2) . . ? C00B Ir06 C00U 62.8(2) . . ? C00D Ir06 U01 145.85(14) . . ? C00D Ir06 C00E 63.1(2) . . ? C00D Ir06 C00S 62.5(2) . . ? C00D Ir06 C00U 36.8(2) . . ? C00E Ir06 U01 144.40(14) . . ? C00E Ir06 C00S 37.7(2) . . ? C00E Ir06 C00U 62.7(2) . . ? C00S Ir06 U01 149.99(16) . . ? C00S Ir06 C00U 37.4(2) . . ? C00U Ir06 U01 151.02(14) . . ? C00L Ir07 U02 149.27(16) . . ? C00R Ir07 U02 147.99(16) . . ? C00R Ir07 C00L 37.0(2) . . ? C00R Ir07 C00Y 62.5(2) . . ? C00X Ir07 U02 145.46(15) . . ? C00X Ir07 C00L 62.3(2) . . ? C00X Ir07 C00R 37.7(2) . . ? C00X Ir07 C00Y 62.4(2) . . ? C00X Ir07 C016 37.5(2) . . ? C00Y Ir07 U02 147.09(14) . . ? C00Y Ir07 C00L 37.5(2) . . ? C016 Ir07 U02 144.83(15) . . ? C016 Ir07 C00L 62.4(2) . . ? C016 Ir07 C00R 62.8(2) . . ? C016 Ir07 C00Y 37.2(2) . . ? C00F Ir08 U02 143.57(14) . . ? C00F Ir08 C00G 63.2(2) . . ? C00F Ir08 C00P 37.59(18) . . ? C00F Ir08 C00Z 62.88(19) . . ? C00G Ir08 U02 146.33(13) . . ? C00G Ir08 C00Z 37.5(2) . . ? C00P Ir08 U02 149.35(15) . . ? C00P Ir08 C00G 63.0(2) . . ? C00P Ir08 C00Z 37.60(19) . . ? C00W Ir08 U02 141.84(14) . . ? C00W Ir08 C00F 37.9(2) . . ? C00W Ir08 C00G 37.8(2) . . ? C00W Ir08 C00P 63.1(2) . . ? C00W Ir08 C00Z 63.0(2) . . ? C00Z Ir08 U02 151.43(13) . . ? C00A C009 Ir04 73.9(3) . . ? C00A C009 C01M 126.5(5) . . ? C019 C009 Ir04 72.8(3) . . ? C019 C009 C00A 108.6(5) . . ? C019 C009 C01M 124.6(6) . . ? C01M C009 Ir04 124.5(4) . . ? C009 C00A Ir04 69.6(3) . . ? C009 C00A C01E 125.0(6) . . ? C00T C00A Ir04 71.2(3) . . ? C00T C00A C009 107.1(5) . . ? C00T C00A C01E 127.8(6) . . ? C01E C00A Ir04 127.5(4) . . ? C00D C00B Ir06 71.1(3) . . ? C00D C00B C00E 107.0(5) . . ? C00D C00B C01I 125.6(5) . . ? C00E C00B Ir06 71.3(3) . . ? C00E C00B C01I 127.4(5) . . ? C01I C00B Ir06 124.1(4) . . ? C00J C00C Ir05 71.5(3) . . ? C00J C00C C01B 108.5(5) . . ? C00J C00C C01J 125.3(5) . . ? C01B C00C Ir05 71.4(3) . . ? C01B C00C C01J 125.6(5) . . ? C01J C00C Ir05 129.6(4) . . ? C00B C00D Ir06 70.9(3) . . ? C00B C00D C024 124.6(5) . . ? C00U C00D Ir06 72.6(3) . . ? C00U C00D C00B 109.0(5) . . ? C00U C00D C024 126.2(5) . . ? C024 C00D Ir06 126.8(4) . . ? C00B C00E Ir06 70.6(3) . . ? C00B C00E C01G 127.1(5) . . ? C00S C00E Ir06 71.6(3) . . ? C00S C00E C00B 107.7(5) . . ? C00S C00E C01G 125.1(5) . . ? C01G C00E Ir06 126.2(4) . . ? C00P C00F Ir08 71.3(3) . . ? C00P C00F C00W 108.0(5) . . ? C00P C00F C01F 126.0(5) . . ? C00W C00F Ir08 71.0(3) . . ? C00W C00F C01F 125.9(5) . . ? C01F C00F Ir08 125.9(4) . . ? C00W C00G Ir08 70.8(3) . . ? C00W C00G C01L 125.9(5) . . ? C00Z C00G Ir08 71.4(3) . . ? C00Z C00G C00W 107.9(5) . . ? C00Z C00G C01L 126.1(5) . . ? C01L C00G Ir08 126.4(4) . . ? C00J C00H Ir05 71.0(3) . . ? C00J C00H C023 125.8(5) . . ? C00V C00H Ir05 70.6(3) . . ? C00V C00H C00J 107.6(4) . . ? C00V C00H C023 126.5(5) . . ? C023 C00H Ir05 127.6(4) . . ? C00C C00J Ir05 71.1(3) . . ? C00C C00J C00H 107.9(4) . . ? C00C C00J C025 126.2(5) . . ? C00H C00J Ir05 71.2(3) . . ? C00H C00J C025 125.8(5) . . ? C025 C00J Ir05 125.5(4) . . ? C00O C00K Ir03 73.2(3) . . ? C00O C00K C00Q 108.6(5) . . ? C00O C00K C01V 125.0(5) . . ? C00Q C00K Ir03 73.3(3) . . ? C00Q C00K C01V 126.2(5) . . ? C01V C00K Ir03 123.9(4) . . ? C00R C00L Ir07 71.3(3) . . ? C00R C00L C00Y 108.4(5) . . ? C00R C00L C1 125.3(6) . . ? C00Y C00L Ir07 71.1(3) . . ? C00Y C00L C1 126.1(5) . . ? C1 C00L Ir07 127.9(4) . . ? C00N C00M Ir03 71.8(3) . . ? C00N C00M C01O 126.2(5) . . ? C00O C00M Ir03 72.8(3) . . ? C00O C00M C00N 108.2(5) . . ? C00O C00M C01O 125.4(5) . . ? C01O C00M Ir03 125.0(4) . . ? C00M C00N Ir03 71.1(3) . . ? C00M C00N C012 124.5(5) . . ? C00Q C00N Ir03 72.8(3) . . ? C00Q C00N C00M 108.2(5) . . ? C00Q C00N C012 127.2(5) . . ? C012 C00N Ir03 123.9(4) . . ? C00K C00O Ir03 70.1(3) . . ? C00K C00O C017 126.1(6) . . ? C00M C00O Ir03 70.8(3) . . ? C00M C00O C00K 107.5(5) . . ? C00M C00O C017 126.3(5) . . ? C017 C00O Ir03 127.5(4) . . ? C00F C00P Ir08 71.1(3) . . ? C00F C00P C00Z 108.2(5) . . ? C00F C00P C01H 125.5(5) . . ? C00Z C00P Ir08 71.5(3) . . ? C00Z C00P C01H 126.1(5) . . ? C01H C00P Ir08 127.5(4) . . ? C00K C00Q Ir03 69.8(3) . . ? C00K C00Q C01W 125.4(6) . . ? C00N C00Q Ir03 71.1(3) . . ? C00N C00Q C00K 107.4(5) . . ? C00N C00Q C01W 127.1(6) . . ? C01W C00Q Ir03 126.2(4) . . ? C00L C00R Ir07 71.7(3) . . ? C00L C00R C00X 107.6(5) . . ? C00L C00R C01U 125.1(6) . . ? C00X C00R Ir07 70.6(3) . . ? C00X C00R C01U 127.2(6) . . ? C01U C00R Ir07 125.8(4) . . ? C00E C00S Ir06 70.8(3) . . ? C00E C00S C018 125.3(6) . . ? C00U C00S Ir06 71.6(3) . . ? C00U C00S C00E 107.9(5) . . ? C00U C00S C018 126.5(5) . . ? C018 C00S Ir06 127.8(4) . . ? C00A C00T Ir04 73.2(3) . . ? C00A C00T C010 108.9(5) . . ? C00A C00T C029 125.9(5) . . ? C010 C00T Ir04 70.9(3) . . ? C010 C00T C029 125.0(5) . . ? C029 C00T Ir04 125.1(4) . . ? C00D C00U Ir06 70.5(3) . . ? C00D C00U C00S 108.4(5) . . ? C00D C00U C021 125.2(6) . . ? C00S C00U Ir06 71.0(3) . . ? C00S C00U C021 126.1(6) . . ? C021 C00U Ir06 128.4(4) . . ? C00H C00V Ir05 71.5(3) . . ? C00H C00V C01T 125.0(5) . . ? C01B C00V Ir05 71.8(3) . . ? C01B C00V C00H 108.4(4) . . ? C01B C00V C01T 126.6(5) . . ? C01T C00V Ir05 124.2(4) . . ? C00F C00W Ir08 71.1(3) . . ? C00F C00W C01Q 125.2(5) . . ? C00G C00W Ir08 71.4(3) . . ? C00G C00W C00F 107.7(5) . . ? C00G C00W C01Q 127.0(5) . . ? C01Q C00W Ir08 125.4(4) . . ? C00R C00X Ir07 71.7(3) . . ? C00R C00X C5 125.3(7) . . ? C016 C00X Ir07 71.3(3) . . ? C016 C00X C00R 108.0(5) . . ? C016 C00X C5 126.4(7) . . ? C5 C00X Ir07 127.3(4) . . ? C00L C00Y Ir07 71.4(3) . . ? C00L C00Y C3 126.0(6) . . ? C016 C00Y Ir07 70.8(3) . . ? C016 C00Y C00L 107.8(5) . . ? C016 C00Y C3 126.2(6) . . ? C3 C00Y Ir07 126.2(4) . . ? C00G C00Z Ir08 71.0(3) . . ? C00G C00Z C00P 108.1(5) . . ? C00G C00Z C01R 126.3(5) . . ? C00P C00Z Ir08 70.9(3) . . ? C00P C00Z C01R 125.3(5) . . ? C01R C00Z Ir08 128.0(4) . . ? C00T C010 Ir04 72.3(3) . . ? C00T C010 C2 124.8(6) . . ? C019 C010 Ir04 72.6(3) . . ? C019 C010 C00T 107.8(5) . . ? C019 C010 C2 127.1(5) . . ? C2 C010 Ir04 125.2(4) . . ? C00N C012 H01A 109.5 . . ? C00N C012 H01B 109.5 . . ? C00N C012 H01C 109.5 . . ? H01A C012 H01B 109.5 . . ? H01A C012 H01C 109.5 . . ? H01B C012 H01C 109.5 . . ? C00X C016 Ir07 71.2(4) . . ? C00X C016 C4 126.5(7) . . ? C00Y C016 Ir07 72.0(4) . . ? C00Y C016 C00X 108.2(6) . . ? C00Y C016 C4 124.9(7) . . ? C4 C016 Ir07 128.0(4) . . ? C00O C017 H01D 109.5 . . ? C00O C017 H01E 109.5 . . ? C00O C017 H01F 109.5 . . ? H01D C017 H01E 109.5 . . ? H01D C017 H01F 109.5 . . ? H01E C017 H01F 109.5 . . ? C00S C018 H01G 109.5 . . ? C00S C018 H01H 109.5 . . ? C00S C018 H01I 109.5 . . ? H01G C018 H01H 109.5 . . ? H01G C018 H01I 109.5 . . ? H01H C018 H01I 109.5 . . ? C009 C019 Ir04 70.4(3) . . ? C009 C019 C02C 127.0(6) . . ? C010 C019 Ir04 71.1(3) . . ? C010 C019 C009 107.3(5) . . ? C010 C019 C02C 125.6(5) . . ? C02C C019 Ir04 125.9(4) . . ? C00C C01B Ir05 70.7(3) . . ? C00C C01B C02E 125.8(5) . . ? C00V C01B Ir05 70.7(3) . . ? C00V C01B C00C 107.6(5) . . ? C00V C01B C02E 126.5(5) . . ? C02E C01B Ir05 127.4(5) . . ? C00A C01E H01 109.5 . . ? C00A C01E H 109.5 . . ? C00A C01E HA 109.5 . . ? H01 C01E H 109.5 . . ? H01 C01E HA 109.5 . . ? H C01E HA 109.5 . . ? C00F C01F H1 109.5 . . ? C00F C01F HB 109.5 . . ? C00F C01F HC 109.5 . . ? H1 C01F HB 109.5 . . ? H1 C01F HC 109.5 . . ? HB C01F HC 109.5 . . ? C00E C01G H01J 109.5 . . ? C00E C01G H01K 109.5 . . ? C00E C01G H01L 109.5 . . ? H01J C01G H01K 109.5 . . ? H01J C01G H01L 109.5 . . ? H01K C01G H01L 109.5 . . ? C00P C01H H2 109.5 . . ? C00P C01H HD 109.5 . . ? C00P C01H HE 109.5 . . ? H2 C01H HD 109.5 . . ? H2 C01H HE 109.5 . . ? HD C01H HE 109.5 . . ? C00B C01I H01M 109.5 . . ? C00B C01I H01N 109.5 . . ? C00B C01I H01O 109.5 . . ? H01M C01I H01N 109.5 . . ? H01M C01I H01O 109.5 . . ? H01N C01I H01O 109.5 . . ? C00C C01J H01P 109.5 . . ? C00C C01J H01Q 109.5 . . ? C00C C01J H01R 109.5 . . ? H01P C01J H01Q 109.5 . . ? H01P C01J H01R 109.5 . . ? H01Q C01J H01R 109.5 . . ? C00G C01L H3 109.5 . . ? C00G C01L HF 109.5 . . ? C00G C01L HG 109.5 . . ? H3 C01L HF 109.5 . . ? H3 C01L HG 109.5 . . ? HF C01L HG 109.5 . . ? C009 C01M H4 109.5 . . ? C009 C01M HH 109.5 . . ? C009 C01M HI 109.5 . . ? H4 C01M HH 109.5 . . ? H4 C01M HI 109.5 . . ? HH C01M HI 109.5 . . ? C00M C01O H01S 109.5 . . ? C00M C01O H01T 109.5 . . ? C00M C01O H01U 109.5 . . ? H01S C01O H01T 109.5 . . ? H01S C01O H01U 109.5 . . ? H01T C01O H01U 109.5 . . ? C00W C01Q H5 109.5 . . ? C00W C01Q HJ 109.5 . . ? C00W C01Q HK 109.5 . . ? H5 C01Q HJ 109.5 . . ? H5 C01Q HK 109.5 . . ? HJ C01Q HK 109.5 . . ? C00Z C01R H6 109.5 . . ? C00Z C01R HL 109.5 . . ? C00Z C01R HM 109.5 . . ? H6 C01R HL 109.5 . . ? H6 C01R HM 109.5 . . ? HL C01R HM 109.5 . . ? C00V C01T H01V 109.5 . . ? C00V C01T H01W 109.5 . . ? C00V C01T H01X 109.5 . . ? H01V C01T H01W 109.5 . . ? H01V C01T H01X 109.5 . . ? H01W C01T H01X 109.5 . . ? C00R C01U H7 109.5 . . ? C00R C01U HN 109.5 . . ? C00R C01U HO 109.5 . . ? H7 C01U HN 109.5 . . ? H7 C01U HO 109.5 . . ? HN C01U HO 109.5 . . ? C00K C01V H01Y 109.5 . . ? C00K C01V HP 109.5 . . ? C00K C01V HQ 109.5 . . ? H01Y C01V HP 109.5 . . ? H01Y C01V HQ 109.5 . . ? HP C01V HQ 109.5 . . ? C00Q C01W H01Z 109.5 . . ? C00Q C01W HR 109.5 . . ? C00Q C01W HS 109.5 . . ? H01Z C01W HR 109.5 . . ? H01Z C01W HS 109.5 . . ? HR C01W HS 109.5 . . ? C00U C021 H02A 109.5 . . ? C00U C021 H02B 109.5 . . ? C00U C021 H02C 109.5 . . ? H02A C021 H02B 109.5 . . ? H02A C021 H02C 109.5 . . ? H02B C021 H02C 109.5 . . ? C00H C023 H02D 109.5 . . ? C00H C023 H02E 109.5 . . ? C00H C023 H02F 109.5 . . ? H02D C023 H02E 109.5 . . ? H02D C023 H02F 109.5 . . ? H02E C023 H02F 109.5 . . ? C00D C024 H02G 109.5 . . ? C00D C024 H02H 109.5 . . ? C00D C024 H02I 109.5 . . ? H02G C024 H02H 109.5 . . ? H02G C024 H02I 109.5 . . ? H02H C024 H02I 109.5 . . ? C00J C025 H02J 109.5 . . ? C00J C025 H02K 109.5 . . ? C00J C025 H02L 109.5 . . ? H02J C025 H02K 109.5 . . ? H02J C025 H02L 109.5 . . ? H02K C025 H02L 109.5 . . ? C00T C029 H02P 109.5 . . ? C00T C029 H02Q 109.5 . . ? C00T C029 H02R 109.5 . . ? H02P C029 H02Q 109.5 . . ? H02P C029 H02R 109.5 . . ? H02Q C029 H02R 109.5 . . ? C019 C02C H02S 109.5 . . ? C019 C02C H02T 109.5 . . ? C019 C02C H02U 109.5 . . ? H02S C02C H02T 109.5 . . ? H02S C02C H02U 109.5 . . ? H02T C02C H02U 109.5 . . ? C01B C02E H02M 109.5 . . ? C01B C02E H02N 109.5 . . ? C01B C02E H02O 109.5 . . ? H02M C02E H02N 109.5 . . ? H02M C02E H02O 109.5 . . ? H02N C02E H02O 109.5 . . ? C00L C1 H1A 109.5 . . ? C00L C1 H1B 109.5 . . ? C00L C1 H1C 109.5 . . ? H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C010 C2 H2A 109.5 . . ? C010 C2 H2B 109.5 . . ? C010 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C00Y C3 H3A 109.5 . . ? C00Y C3 H3B 109.5 . . ? C00Y C3 H3C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C016 C4 H4A 109.5 . . ? C016 C4 H4B 109.5 . . ? C016 C4 H4C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C00X C5 H5A 109.5 . . ? C00X C5 H5B 109.5 . . ? C00X C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag U01 U01 3.7945(4) 2_665 ? U01 Ir03 2.8135(3) 2_665 ? U01 Ir03 2.8406(3) . ? U01 Ir05 2.9653(3) . ? U01 Ir06 2.9718(3) . ? U02 U02 3.7819(4) 2_756 ? U02 Ir04 2.8392(3) . ? U02 Ir04 2.8266(3) 2_756 ? U02 Ir07 2.9899(3) . ? U02 Ir08 2.9728(3) . ? Ir03 U01 2.8136(3) 2_665 ? Ir03 C00K 2.252(5) . ? Ir03 C00M 2.266(5) . ? Ir03 C00N 2.276(5) . ? Ir03 C00O 2.293(5) . ? Ir03 C00Q 2.298(5) . ? Ir04 U02 2.8267(3) 2_756 ? Ir04 C009 2.256(6) . ? Ir04 C00A 2.312(5) . ? Ir04 C00T 2.287(5) . ? Ir04 C010 2.267(5) . ? Ir04 C019 2.287(6) . ? Ir05 C00C 2.216(6) . ? Ir05 C00H 2.223(5) . ? Ir05 C00J 2.221(6) . ? Ir05 C00V 2.211(5) . ? Ir05 C01B 2.225(6) . ? Ir06 C00B 2.208(5) . ? Ir06 C00D 2.210(6) . ? Ir06 C00E 2.218(5) . ? Ir06 C00S 2.228(5) . ? Ir06 C00U 2.237(5) . ? Ir07 C00L 2.235(5) . ? Ir07 C00R 2.230(5) . ? Ir07 C00X 2.215(6) . ? Ir07 C00Y 2.231(5) . ? Ir07 C016 2.216(7) . ? Ir08 C00F 2.218(5) . ? Ir08 C00G 2.224(6) . ? Ir08 C00P 2.221(5) . ? Ir08 C00W 2.216(6) . ? Ir08 C00Z 2.230(6) . ? C009 C00A 1.434(8) . ? C009 C019 1.433(7) . ? C009 C01M 1.494(8) . ? C00A C00T 1.407(8) . ? C00A C01E 1.492(7) . ? C00B C00D 1.439(8) . ? C00B C00E 1.444(8) . ? C00B C01I 1.503(8) . ? C00C C00J 1.421(7) . ? C00C C01B 1.441(8) . ? C00C C01J 1.507(7) . ? C00D C00U 1.406(9) . ? C00D C024 1.503(9) . ? C00E C00S 1.436(8) . ? C00E C01G 1.496(8) . ? C00F C00P 1.430(7) . ? C00F C00W 1.441(8) . ? C00F C01F 1.496(7) . ? C00G C00W 1.439(8) . ? C00G C00Z 1.433(8) . ? C00G C01L 1.501(8) . ? C00H C00J 1.440(7) . ? C00H C00V 1.439(7) . ? C00H C023 1.496(7) . ? C00J C025 1.507(7) . ? C00K C00O 1.431(8) . ? C00K C00Q 1.442(8) . ? C00K C01V 1.491(8) . ? C00L C00R 1.416(8) . ? C00L C00Y 1.435(8) . ? C00L C1 1.504(9) . ? C00M C00N 1.447(8) . ? C00M C00O 1.423(8) . ? C00M C01O 1.513(8) . ? C00N C00Q 1.417(8) . ? C00N C012 1.504(8) . ? C00O C017 1.497(8) . ? C00P C00Z 1.434(7) . ? C00P C01H 1.506(7) . ? C00Q C01W 1.501(7) . ? C00R C00X 1.436(9) . ? C00R C01U 1.490(9) . ? C00S C00U 1.433(8) . ? C00S C018 1.504(8) . ? C00T C010 1.439(7) . ? C00T C029 1.519(8) . ? C00U C021 1.506(8) . ? C00V C01B 1.424(8) . ? C00V C01T 1.493(8) . ? C00W C01Q 1.504(8) . ? C00X C016 1.425(10) . ? C00X C5 1.512(9) . ? C00Y C016 1.419(9) . ? C00Y C3 1.508(8) . ? C00Z C01R 1.496(7) . ? C010 C019 1.417(8) . ? C010 C2 1.531(8) . ? C012 H01A 0.9600 . ? C012 H01B 0.9600 . ? C012 H01C 0.9600 . ? C016 C4 1.510(10) . ? C017 H01D 0.9600 . ? C017 H01E 0.9600 . ? C017 H01F 0.9600 . ? C018 H01G 0.9600 . ? C018 H01H 0.9600 . ? C018 H01I 0.9600 . ? C019 C02C 1.494(8) . ? C01B C02E 1.484(8) . ? C01E H01 0.9600 . ? C01E H 0.9600 . ? C01E HA 0.9600 . ? C01F H1 0.9600 . ? C01F HB 0.9600 . ? C01F HC 0.9600 . ? C01G H01J 0.9600 . ? C01G H01K 0.9600 . ? C01G H01L 0.9600 . ? C01H H2 0.9600 . ? C01H HD 0.9600 . ? C01H HE 0.9600 . ? C01I H01M 0.9600 . ? C01I H01N 0.9600 . ? C01I H01O 0.9600 . ? C01J H01P 0.9600 . ? C01J H01Q 0.9600 . ? C01J H01R 0.9600 . ? C01L H3 0.9600 . ? C01L HF 0.9600 . ? C01L HG 0.9600 . ? C01M H4 0.9600 . ? C01M HH 0.9600 . ? C01M HI 0.9600 . ? C01O H01S 0.9600 . ? C01O H01T 0.9600 . ? C01O H01U 0.9600 . ? C01Q H5 0.9600 . ? C01Q HJ 0.9600 . ? C01Q HK 0.9600 . ? C01R H6 0.9600 . ? C01R HL 0.9600 . ? C01R HM 0.9600 . ? C01T H01V 0.9600 . ? C01T H01W 0.9600 . ? C01T H01X 0.9600 . ? C01U H7 0.9600 . ? C01U HN 0.9600 . ? C01U HO 0.9600 . ? C01V H01Y 0.9600 . ? C01V HP 0.9600 . ? C01V HQ 0.9600 . ? C01W H01Z 0.9600 . ? C01W HR 0.9600 . ? C01W HS 0.9600 . ? C021 H02A 0.9600 . ? C021 H02B 0.9600 . ? C021 H02C 0.9600 . ? C023 H02D 0.9600 . ? C023 H02E 0.9600 . ? C023 H02F 0.9600 . ? C024 H02G 0.9600 . ? C024 H02H 0.9600 . ? C024 H02I 0.9600 . ? C025 H02J 0.9600 . ? C025 H02K 0.9600 . ? C025 H02L 0.9600 . ? C029 H02P 0.9600 . ? C029 H02Q 0.9600 . ? C029 H02R 0.9600 . ? C02C H02S 0.9600 . ? C02C H02T 0.9600 . ? C02C H02U 0.9600 . ? C02E H02M 0.9600 . ? C02E H02N 0.9600 . ? C02E H02O 0.9600 . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Ir03 C00K C00O C00M 61.3(3) . . . . ? Ir03 C00K C00O C017 -122.4(5) . . . . ? Ir03 C00K C00Q C00N -61.5(3) . . . . ? Ir03 C00K C00Q C01W 120.7(5) . . . . ? Ir03 C00M C00N C00Q 63.8(3) . . . . ? Ir03 C00M C00N C012 -118.7(5) . . . . ? Ir03 C00M C00O C00K -60.8(3) . . . . ? Ir03 C00M C00O C017 122.9(5) . . . . ? Ir03 C00N C00Q C00K 60.6(3) . . . . ? Ir03 C00N C00Q C01W -121.5(5) . . . . ? Ir04 C009 C00A C00T -61.7(4) . . . . ? Ir04 C009 C00A C01E 122.2(5) . . . . ? Ir04 C009 C019 C010 61.9(4) . . . . ? Ir04 C009 C019 C02C -120.8(6) . . . . ? Ir04 C00A C00T C010 -62.2(4) . . . . ? Ir04 C00A C00T C029 121.5(6) . . . . ? Ir04 C00T C010 C019 -64.4(4) . . . . ? Ir04 C00T C010 C2 121.0(6) . . . . ? Ir04 C010 C019 C009 -61.4(4) . . . . ? Ir04 C010 C019 C02C 121.2(6) . . . . ? Ir05 C00C C00J C00H -62.0(4) . . . . ? Ir05 C00C C00J C025 120.7(6) . . . . ? Ir05 C00C C01B C00V 61.5(4) . . . . ? Ir05 C00C C01B C02E -122.7(7) . . . . ? Ir05 C00H C00J C00C 62.0(4) . . . . ? Ir05 C00H C00J C025 -120.7(6) . . . . ? Ir05 C00H C00V C01B -62.8(4) . . . . ? Ir05 C00H C00V C01T 119.4(6) . . . . ? Ir05 C00V C01B C00C -61.5(4) . . . . ? Ir05 C00V C01B C02E 122.8(7) . . . . ? Ir06 C00B C00D C00U -63.0(4) . . . . ? Ir06 C00B C00D C024 122.1(5) . . . . ? Ir06 C00B C00E C00S 62.3(4) . . . . ? Ir06 C00B C00E C01G -121.2(6) . . . . ? Ir06 C00D C00U C00S -61.2(4) . . . . ? Ir06 C00D C00U C021 123.9(5) . . . . ? Ir06 C00E C00S C00U 62.4(4) . . . . ? Ir06 C00E C00S C018 -123.3(6) . . . . ? Ir06 C00S C00U C00D 60.9(4) . . . . ? Ir06 C00S C00U C021 -124.2(6) . . . . ? Ir07 C00L C00R C00X -61.8(4) . . . . ? Ir07 C00L C00R C01U 121.3(6) . . . . ? Ir07 C00L C00Y C016 61.9(4) . . . . ? Ir07 C00L C00Y C3 -121.7(6) . . . . ? Ir07 C00R C00X C016 -62.4(4) . . . . ? Ir07 C00R C00X C5 123.2(6) . . . . ? Ir07 C00X C016 C00Y -62.9(4) . . . . ? Ir07 C00X C016 C4 123.8(6) . . . . ? Ir07 C00Y C016 C00X 62.4(4) . . . . ? Ir07 C00Y C016 C4 -124.2(6) . . . . ? Ir08 C00F C00P C00Z 62.3(4) . . . . ? Ir08 C00F C00P C01H -123.1(6) . . . . ? Ir08 C00F C00W C00G -62.4(4) . . . . ? Ir08 C00F C00W C01Q 120.5(6) . . . . ? Ir08 C00G C00W C00F 62.2(4) . . . . ? Ir08 C00G C00W C01Q -120.7(6) . . . . ? Ir08 C00G C00Z C00P -61.5(4) . . . . ? Ir08 C00G C00Z C01R 123.7(5) . . . . ? Ir08 C00P C00Z C00G 61.6(4) . . . . ? Ir08 C00P C00Z C01R -123.6(6) . . . . ? C009 C00A C00T Ir04 60.6(3) . . . . ? C009 C00A C00T C010 -1.6(6) . . . . ? C009 C00A C00T C029 -177.9(5) . . . . ? C00A C009 C019 Ir04 -65.7(4) . . . . ? C00A C009 C019 C010 -3.8(6) . . . . ? C00A C009 C019 C02C 173.5(5) . . . . ? C00A C00T C010 Ir04 63.7(4) . . . . ? C00A C00T C010 C019 -0.7(6) . . . . ? C00A C00T C010 C2 -175.3(5) . . . . ? C00B C00D C00U Ir06 61.9(4) . . . . ? C00B C00D C00U C00S 0.8(6) . . . . ? C00B C00D C00U C021 -174.2(5) . . . . ? C00B C00E C00S Ir06 -61.7(4) . . . . ? C00B C00E C00S C00U 0.7(6) . . . . ? C00B C00E C00S C018 175.0(5) . . . . ? C00D C00B C00E Ir06 -62.5(3) . . . . ? C00D C00B C00E C00S -0.3(6) . . . . ? C00D C00B C00E C01G 176.2(5) . . . . ? C00E C00B C00D Ir06 62.7(4) . . . . ? C00E C00B C00D C00U -0.3(6) . . . . ? C00E C00B C00D C024 -175.2(5) . . . . ? C00E C00S C00U Ir06 -61.8(4) . . . . ? C00E C00S C00U C00D -0.9(6) . . . . ? C00E C00S C00U C021 173.9(5) . . . . ? C00F C00P C00Z Ir08 -62.0(4) . . . . ? C00F C00P C00Z C00G -0.4(6) . . . . ? C00F C00P C00Z C01R 174.4(5) . . . . ? C00H C00V C01B Ir05 62.6(4) . . . . ? C00H C00V C01B C00C 1.1(7) . . . . ? C00H C00V C01B C02E -174.7(6) . . . . ? C00J C00C C01B Ir05 -62.2(4) . . . . ? C00J C00C C01B C00V -0.8(7) . . . . ? C00J C00C C01B C02E 175.0(6) . . . . ? C00J C00H C00V Ir05 61.7(4) . . . . ? C00J C00H C00V C01B -1.0(6) . . . . ? C00J C00H C00V C01T -178.9(5) . . . . ? C00L C00R C00X Ir07 62.6(4) . . . . ? C00L C00R C00X C016 0.2(7) . . . . ? C00L C00R C00X C5 -174.2(6) . . . . ? C00L C00Y C016 Ir07 -62.3(4) . . . . ? C00L C00Y C016 C00X 0.1(6) . . . . ? C00L C00Y C016 C4 173.6(5) . . . . ? C00M C00N C00Q Ir03 -62.7(3) . . . . ? C00M C00N C00Q C00K -2.0(5) . . . . ? C00M C00N C00Q C01W 175.8(5) . . . . ? C00N C00M C00O Ir03 63.5(3) . . . . ? C00N C00M C00O C00K 2.7(5) . . . . ? C00N C00M C00O C017 -173.6(5) . . . . ? C00O C00K C00Q Ir03 65.2(3) . . . . ? C00O C00K C00Q C00N 3.7(5) . . . . ? C00O C00K C00Q C01W -174.1(5) . . . . ? C00O C00M C00N Ir03 -64.2(3) . . . . ? C00O C00M C00N C00Q -0.4(5) . . . . ? C00O C00M C00N C012 177.2(5) . . . . ? C00P C00F C00W Ir08 62.1(4) . . . . ? C00P C00F C00W C00G -0.3(6) . . . . ? C00P C00F C00W C01Q -177.4(5) . . . . ? C00Q C00K C00O Ir03 -65.2(3) . . . . ? C00Q C00K C00O C00M -3.9(5) . . . . ? C00Q C00K C00O C017 172.3(5) . . . . ? C00R C00L C00Y Ir07 -61.9(4) . . . . ? C00R C00L C00Y C016 0.0(6) . . . . ? C00R C00L C00Y C3 176.4(5) . . . . ? C00R C00X C016 Ir07 62.7(4) . . . . ? C00R C00X C016 C00Y -0.2(7) . . . . ? C00R C00X C016 C4 -173.5(6) . . . . ? C00T C010 C019 Ir04 64.2(4) . . . . ? C00T C010 C019 C009 2.8(6) . . . . ? C00T C010 C019 C02C -174.6(5) . . . . ? C00V C00H C00J Ir05 -61.5(4) . . . . ? C00V C00H C00J C00C 0.5(6) . . . . ? C00V C00H C00J C025 177.8(6) . . . . ? C00W C00F C00P Ir08 -61.8(4) . . . . ? C00W C00F C00P C00Z 0.4(6) . . . . ? C00W C00F C00P C01H 175.1(5) . . . . ? C00W C00G C00Z Ir08 61.7(4) . . . . ? C00W C00G C00Z C00P 0.2(6) . . . . ? C00W C00G C00Z C01R -174.5(5) . . . . ? C00Y C00L C00R Ir07 61.7(4) . . . . ? C00Y C00L C00R C00X -0.1(6) . . . . ? C00Y C00L C00R C01U -176.9(6) . . . . ? C00Z C00G C00W Ir08 -62.2(4) . . . . ? C00Z C00G C00W C00F 0.0(6) . . . . ? C00Z C00G C00W C01Q 177.1(6) . . . . ? C012 C00N C00Q Ir03 119.9(5) . . . . ? C012 C00N C00Q C00K -179.5(5) . . . . ? C012 C00N C00Q C01W -1.7(8) . . . . ? C018 C00S C00U Ir06 124.0(6) . . . . ? C018 C00S C00U C00D -175.1(5) . . . . ? C018 C00S C00U C021 -0.3(9) . . . . ? C019 C009 C00A Ir04 65.0(4) . . . . ? C019 C009 C00A C00T 3.4(6) . . . . ? C019 C009 C00A C01E -172.8(5) . . . . ? C01B C00C C00J Ir05 62.2(4) . . . . ? C01B C00C C00J C00H 0.1(7) . . . . ? C01B C00C C00J C025 -177.2(6) . . . . ? C01E C00A C00T Ir04 -123.4(6) . . . . ? C01E C00A C00T C010 174.4(5) . . . . ? C01E C00A C00T C029 -1.9(9) . . . . ? C01F C00F C00P Ir08 121.3(6) . . . . ? C01F C00F C00P C00Z -176.4(5) . . . . ? C01F C00F C00P C01H -1.7(9) . . . . ? C01F C00F C00W Ir08 -121.1(6) . . . . ? C01F C00F C00W C00G 176.5(5) . . . . ? C01F C00F C00W C01Q -0.6(9) . . . . ? C01G C00E C00S Ir06 121.7(5) . . . . ? C01G C00E C00S C00U -175.9(5) . . . . ? C01G C00E C00S C018 -1.6(9) . . . . ? C01H C00P C00Z Ir08 123.4(6) . . . . ? C01H C00P C00Z C00G -175.0(5) . . . . ? C01H C00P C00Z C01R -0.2(9) . . . . ? C01I C00B C00D Ir06 -119.0(5) . . . . ? C01I C00B C00D C00U 178.0(5) . . . . ? C01I C00B C00D C024 3.1(8) . . . . ? C01I C00B C00E Ir06 119.2(5) . . . . ? C01I C00B C00E C00S -178.5(5) . . . . ? C01I C00B C00E C01G -2.0(9) . . . . ? C01J C00C C00J Ir05 -125.9(6) . . . . ? C01J C00C C00J C00H 172.1(6) . . . . ? C01J C00C C00J C025 -5.2(10) . . . . ? C01J C00C C01B Ir05 125.8(6) . . . . ? C01J C00C C01B C00V -172.7(6) . . . . ? C01J C00C C01B C02E 3.1(10) . . . . ? C01L C00G C00W Ir08 121.5(6) . . . . ? C01L C00G C00W C00F -176.3(6) . . . . ? C01L C00G C00W C01Q 0.8(10) . . . . ? C01L C00G C00Z Ir08 -122.0(6) . . . . ? C01L C00G C00Z C00P 176.6(6) . . . . ? C01L C00G C00Z C01R 1.8(9) . . . . ? C01M C009 C00A Ir04 -121.3(6) . . . . ? C01M C009 C00A C00T 177.0(5) . . . . ? C01M C009 C00A C01E 0.9(9) . . . . ? C01M C009 C019 Ir04 120.5(5) . . . . ? C01M C009 C019 C010 -177.6(5) . . . . ? C01M C009 C019 C02C -0.3(9) . . . . ? C01O C00M C00N Ir03 120.5(5) . . . . ? C01O C00M C00N C00Q -175.7(5) . . . . ? C01O C00M C00N C012 1.9(8) . . . . ? C01O C00M C00O Ir03 -121.2(5) . . . . ? C01O C00M C00O C00K 178.0(5) . . . . ? C01O C00M C00O C017 1.7(8) . . . . ? C01T C00V C01B Ir05 -119.6(6) . . . . ? C01T C00V C01B C00C 178.9(6) . . . . ? C01T C00V C01B C02E 3.2(10) . . . . ? C01U C00R C00X Ir07 -120.7(6) . . . . ? C01U C00R C00X C016 176.9(6) . . . . ? C01U C00R C00X C5 2.5(10) . . . . ? C01V C00K C00O Ir03 119.9(5) . . . . ? C01V C00K C00O C00M -178.8(5) . . . . ? C01V C00K C00O C017 -2.5(8) . . . . ? C01V C00K C00Q Ir03 -120.1(5) . . . . ? C01V C00K C00Q C00N 178.5(5) . . . . ? C01V C00K C00Q C01W 0.6(8) . . . . ? C023 C00H C00J Ir05 123.2(6) . . . . ? C023 C00H C00J C00C -174.7(6) . . . . ? C023 C00H C00J C025 2.6(10) . . . . ? C023 C00H C00V Ir05 -123.0(6) . . . . ? C023 C00H C00V C01B 174.2(6) . . . . ? C023 C00H C00V C01T -3.7(9) . . . . ? C024 C00D C00U Ir06 -123.3(6) . . . . ? C024 C00D C00U C00S 175.6(5) . . . . ? C024 C00D C00U C021 0.6(9) . . . . ? C029 C00T C010 Ir04 -120.0(6) . . . . ? C029 C00T C010 C019 175.6(5) . . . . ? C029 C00T C010 C2 1.1(9) . . . . ? C1 C00L C00R Ir07 -123.7(6) . . . . ? C1 C00L C00R C00X 174.5(5) . . . . ? C1 C00L C00R C01U -2.4(9) . . . . ? C1 C00L C00Y Ir07 123.6(6) . . . . ? C1 C00L C00Y C016 -174.5(5) . . . . ? C1 C00L C00Y C3 1.9(9) . . . . ? C2 C010 C019 Ir04 -121.4(6) . . . . ? C2 C010 C019 C009 177.2(5) . . . . ? C2 C010 C019 C02C -0.2(9) . . . . ? C3 C00Y C016 Ir07 121.3(6) . . . . ? C3 C00Y C016 C00X -176.3(5) . . . . ? C3 C00Y C016 C4 -2.9(9) . . . . ? C5 C00X C016 Ir07 -123.0(6) . . . . ? C5 C00X C016 C00Y 174.1(6) . . . . ? C5 C00X C016 C4 0.8(10) . . . . ?