#------------------------------------------------------------------------------ #$Date: 2021-09-24 01:23:15 +0300 (Fri, 24 Sep 2021) $ #$Revision: 269266 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/47/1564719.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_1564719 loop_ _publ_author_name 'Aldridge, Simon' 'McManus, Caitil\'in' 'Hicks, Jamie' 'Goicoechea, Jose M.' 'Cui, Xianlu' 'Zhao, Lili' 'Frenking, Gernot' _publ_section_title ; Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D1SC04676D _journal_year 2021 _chemical_formula_moiety 'C59 H89 Ag Ga N2 O P, 2(C7 H8)' _chemical_formula_sum 'C73 H105 Ag Ga N2 O P' _chemical_formula_weight 1235.14 _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 2021-02-07 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2021-05-24 deposited with the CCDC. 2021-09-16 downloaded from the CCDC. ; _cell_angle_alpha 82.027(3) _cell_angle_beta 72.271(3) _cell_angle_gamma 70.022(4) _cell_formula_units_Z 2 _cell_length_a 12.8040(6) _cell_length_b 14.3764(5) _cell_length_c 20.7258(7) _cell_measurement_reflns_used 14921 _cell_measurement_temperature 150.03(13) _cell_measurement_theta_max 30.2760 _cell_measurement_theta_min 3.3530 _cell_volume 3412.7(3) _computing_cell_refinement 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_collection 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_reduction 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150.03(13) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.4102 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.859 _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 -24.00 19.00 1.00 37.50 -- -12.38 77.00 150.00 43 2 \w -83.00 13.00 1.00 37.50 -- -12.38 -57.00 0.00 96 3 \w 23.00 56.00 1.00 37.50 -- -12.38 57.00 150.00 33 4 \w -13.00 19.00 1.00 37.50 -- -12.38 -77.00-150.00 32 5 \w -36.00 -1.00 1.00 37.50 -- -12.38 57.00 150.00 35 6 \w -14.00 83.00 1.00 37.50 -- 12.85 57.00 -60.00 97 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0519261000 _diffrn_orient_matrix_UB_12 -0.0198658000 _diffrn_orient_matrix_UB_13 0.0099208000 _diffrn_orient_matrix_UB_21 0.0188440000 _diffrn_orient_matrix_UB_22 0.0398644000 _diffrn_orient_matrix_UB_23 -0.0176561000 _diffrn_orient_matrix_UB_31 -0.0266450000 _diffrn_orient_matrix_UB_32 0.0278609000 _diffrn_orient_matrix_UB_33 0.0297104000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0248 _diffrn_reflns_av_unetI/netI 0.0443 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.859 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_number 33574 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.859 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.409 _diffrn_reflns_theta_min 2.972 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.747 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.70392 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.202 _exptl_crystal_description plate _exptl_crystal_F_000 1316 _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.01 _refine_diff_density_max 0.895 _refine_diff_density_min -0.653 _refine_diff_density_rms 0.068 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.023 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 715 _refine_ls_number_reflns 17762 _refine_ls_number_restraints 214 _refine_ls_restrained_S_all 1.044 _refine_ls_R_factor_all 0.0586 _refine_ls_R_factor_gt 0.0407 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0341P)^2^+2.8890P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0904 _refine_ls_wR_factor_ref 0.1005 _reflns_Friedel_coverage 0.000 _reflns_number_gt 13962 _reflns_number_total 17762 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1sc04676d2.cif _cod_data_source_block 3'-Ag _cod_database_code 1564719 _publcif_datablock.id {2208f5be-8aa8-438c-a22c-741e74185c61} _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C50 H60 Ga1 N2 O1 P1 Ag1' _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. ; _shelx_estimated_absorpt_t_max 0.993 _shelx_estimated_absorpt_t_min 0.754 _reflns_odcompleteness_completeness 99.88 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 27.42 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C301-C306 \\sim C306-C305 \\sim C305-C304 \\sim C304-C303 \\sim C303-C302 \\sim C302-C301 with sigma of 0.02 C301-C303 \\sim C301-C305 \\sim C302-C304 \\sim C306-C302 \\sim C305-C303 \\sim C306-C304 with sigma of 0.04 C300-C302 \\sim C300-C306 with sigma of 0.04 C203-C204 \\sim C204-C205 \\sim C205-C200 \\sim C200-C201 \\sim C201-C202 \\sim C202-C203 with sigma of 0.02 C203-C201 \\sim C203-C205 \\sim C202-C200 \\sim C204-C202 \\sim C205-C201 \\sim C204-C200 with sigma of 0.04 C206-C202 \\sim C206-C204 with sigma of 0.04 3. Restrained planarity C300, C301, C306, C305, C304, C303, C302 with sigma of 0.1 C206, C203, C204, C205, C200, C201, C202 with sigma of 0.1 4. Uiso/Uaniso restraints and constraints C300 \\sim C301 \\sim C306 \\sim C305 \\sim C304 \\sim C303 \\sim C302: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 C300 \\sim C301 \\sim C306 \\sim C302 \\sim C305 \\sim C303 \\sim C304: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01 C300 \\sim C301: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01 C30 \\sim C32 \\sim C31: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01 5. Rigid body (RIGU) restrains C300, C301, C306, C305, C304, C303, C302 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 C206, C203, C204, C205, C200, C201, C202 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 6.a Ternary CH refined with riding coordinates: C45(H45), C42(H42), C33(H33), C30(H30) 6.b Aromatic/amide H refined with riding coordinates: C3(H3), C11(H11), C5(H5), C9(H9), C26(H26), C40(H40), C39(H39), C38(H38), C28(H28), C27(H27), C201(H201), C200(H200), C205(H205), C204(H204), C202(H202), C306(H306), C305(H305), C304(H304), C303(H303), C302(H302) 6.c Fitted hexagon refined as free rotating group: C201(C200,C205,C204,C203,C202), C301(C306,C305,C304,C303,C302) 6.d Idealised Me refined as rotating group: C18(H18a,H18b,H18c), C19(H19a,H19b,H19c), C59(H59a,H59b,H59c), C15(H15a,H15b, H15c), C46(H46a,H46b,H46c), C21(H21a,H21b,H21c), C17(H17a,H17b,H17c), C23(H23a, H23b,H23c), C16(H16a,H16b,H16c), C50(H50a,H50b,H50c), C54(H54a,H54b,H54c), C53(H53a,H53b,H53c), C51(H51a,H51b,H51c), C58(H58a,H58b,H58c), C49(H49a,H49b, H49c), C44(H44a,H44b,H44c), C47(H47a,H47b,H47c), C57(H57a,H57b,H57c), C35(H35a, H35b,H35c), C43(H43a,H43b,H43c), C22(H22a,H22b,H22c), C31(H31a,H31b,H31c), C34(H34a,H34b,H34c), C55(H55a,H55b,H55c), C32(H32a,H32b,H32c), C206(H20a,H20b, H20c), C300(H30a,H30b,H30c) ; _shelx_res_file ; TITL 80cmcm20_a.res in P-1 80cmcm20.res created by SHELXL-2018/3 at 13:09:50 on 16-Nov-2020 REM Old TITL 80cmcm20 in P-1 REM SHELXT solution in P-1: R1 0.134, Rweak 0.005, Alpha 0.054 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C70 N O2 P Ga Ag CELL 0.71073 12.804 14.3764 20.7258 82.027 72.271 70.022 ZERR 2 0.0006 0.0005 0.0007 0.003 0.003 0.004 LATT 1 SFAC C H Ag Ga N O P UNIT 146 210 2 2 4 2 2 SADI C301 C306 C306 C305 C305 C304 C304 C303 C303 C302 C302 C301 SADI 0.04 C301 C303 C301 C305 C302 C304 C306 C302 C305 C303 C306 C304 SADI 0.04 C300 C302 C300 C306 SADI C203 C204 C204 C205 C205 C200 C200 C201 C201 C202 C202 C203 SADI 0.04 C203 C201 C203 C205 C202 C200 C204 C202 C205 C201 C204 C200 SADI 0.04 C206 C202 C206 C204 FLAT C300 C301 C306 C305 C304 C303 C302 FLAT C206 C203 C204 C205 C200 C201 C202 SIMU C300 C301 C306 C305 C304 C303 C302 SIMU 0.005 0.01 2 C300 C301 C306 C302 C305 C303 C304 SIMU 0.005 0.01 2 C300 C301 SIMU 0.005 0.01 2 C30 C32 C31 RIGU C300 C301 C306 C305 C304 C303 C302 RIGU C206 C203 C204 C205 C200 C201 C202 L.S. 20 0 0 PLAN 10 SIZE 0.3 0.4 0.01 list 4 fmap 2 53 ACTA OMIT 3 3 3 REM REM REM WGHT 0.034100 2.889000 FVAR 0.37000 AG1 3 0.163075 0.546527 0.707551 11.00000 0.02269 0.02813 = 0.03397 -0.00331 -0.01355 0.00073 GA1 4 0.353165 0.425192 0.705567 11.00000 0.01568 0.02336 = 0.01774 -0.00392 -0.00631 -0.00368 P1 7 -0.032827 0.657821 0.717283 11.00000 0.02240 0.02111 = 0.03048 -0.00225 -0.01353 -0.00155 O1 6 0.558963 0.361018 0.675259 11.00000 0.01498 0.02136 = 0.01719 -0.00514 -0.00711 -0.00250 N1 5 0.404741 0.322647 0.638700 11.00000 0.01274 0.02591 = 0.01906 -0.00741 -0.00501 -0.00482 N2 5 0.405208 0.423567 0.786036 11.00000 0.01333 0.03445 = 0.01760 -0.00843 -0.00395 -0.00423 C36 1 0.321181 0.316829 0.608069 11.00000 0.01378 0.02792 = 0.02099 -0.00918 -0.00419 -0.00362 C13 1 0.601684 0.278681 0.635663 11.00000 0.01646 0.01919 = 0.01520 -0.00336 -0.00281 -0.00576 C2 1 0.517909 0.386332 0.789779 11.00000 0.01633 0.02653 = 0.01862 -0.00314 -0.00499 -0.00529 C12 1 0.517132 0.261640 0.614050 11.00000 0.01529 0.02306 = 0.01632 -0.00176 -0.00385 -0.00606 C7 1 0.792273 0.243406 0.659085 11.00000 0.01407 0.02361 = 0.02019 -0.00406 -0.00574 -0.00523 C1 1 0.602389 0.345935 0.730803 11.00000 0.01747 0.02345 = 0.01496 -0.00201 -0.00673 -0.00688 C6 1 0.715601 0.292295 0.726508 11.00000 0.01509 0.02220 = 0.01844 -0.00237 -0.00439 -0.00662 C8 1 0.714823 0.219416 0.624362 11.00000 0.01448 0.02340 = 0.01802 -0.00108 -0.00340 -0.00723 C24 1 0.322957 0.488677 0.837740 11.00000 0.01554 0.03862 = 0.01626 -0.00851 -0.00688 -0.00256 C3 1 0.558751 0.382104 0.845885 11.00000 0.02018 0.03257 = 0.01801 -0.00472 -0.00591 -0.00529 AFIX 43 H3 2 0.507323 0.411157 0.885670 11.00000 -1.20000 AFIX 0 C11 1 0.556127 0.183273 0.570476 11.00000 0.01892 0.02919 = 0.02344 -0.00709 -0.00569 -0.00867 AFIX 43 H11 2 0.504013 0.170543 0.552758 11.00000 -1.20000 AFIX 0 C4 1 0.675563 0.335012 0.843476 11.00000 0.01989 0.03077 = 0.01998 -0.00099 -0.00867 -0.00793 C37 1 0.313100 0.368134 0.545635 11.00000 0.01969 0.03849 = 0.02222 -0.00472 -0.00614 -0.00923 C5 1 0.751781 0.287793 0.784699 11.00000 0.01701 0.02777 = 0.02233 -0.00153 -0.00868 -0.00630 AFIX 43 H5 2 0.827996 0.252677 0.784084 11.00000 -1.20000 AFIX 0 C25 1 0.319923 0.587643 0.834123 11.00000 0.02051 0.04074 = 0.02960 -0.01431 -0.00628 -0.00718 C41 1 0.247292 0.261108 0.639998 11.00000 0.02023 0.03199 = 0.02730 -0.00926 -0.00484 -0.00872 C10 1 0.672364 0.123530 0.553002 11.00000 0.01862 0.02583 = 0.02500 -0.00771 -0.00424 -0.00543 C9 1 0.749810 0.140582 0.581048 11.00000 0.01544 0.02495 = 0.02405 -0.00643 -0.00312 -0.00308 AFIX 43 H9 2 0.826068 0.099125 0.570981 11.00000 -1.20000 AFIX 0 C29 1 0.242869 0.454436 0.889848 11.00000 0.02078 0.04227 = 0.01887 -0.00479 -0.00638 -0.00290 C18 1 0.847931 0.317826 0.613310 11.00000 0.02259 0.03838 = 0.02415 -0.00386 -0.00296 -0.01611 AFIX 137 H18A 2 0.788504 0.378350 0.607851 11.00000 -1.50000 H18B 2 0.890950 0.290313 0.569769 11.00000 -1.50000 H18C 2 0.898974 0.331121 0.633825 11.00000 -1.50000 AFIX 0 C56 1 -0.106793 0.675788 0.811178 11.00000 0.03529 0.03680 = 0.02944 -0.00624 -0.01587 -0.00309 C26 1 0.234366 0.652640 0.882347 11.00000 0.02649 0.04431 = 0.03864 -0.02171 -0.00793 -0.00677 AFIX 43 H26 2 0.231162 0.718583 0.880091 11.00000 -1.20000 AFIX 0 C14 1 0.713971 0.334980 0.907036 11.00000 0.02595 0.04107 = 0.02232 -0.00322 -0.01351 -0.00730 C40 1 0.167621 0.256237 0.608530 11.00000 0.02148 0.04198 = 0.03590 -0.01147 -0.00509 -0.01505 AFIX 43 H40 2 0.118369 0.219350 0.629420 11.00000 -1.20000 AFIX 0 C45 1 0.386744 0.433916 0.510792 11.00000 0.02809 0.05034 = 0.02327 0.00309 -0.01009 -0.01734 AFIX 13 H45 2 0.445401 0.423111 0.534738 11.00000 -1.20000 AFIX 0 C42 1 0.252268 0.205296 0.707347 11.00000 0.03603 0.04431 = 0.03376 0.00167 -0.01146 -0.02295 AFIX 13 H42 2 0.314069 0.215639 0.721161 11.00000 -1.20000 AFIX 0 C39 1 0.160061 0.304849 0.547102 11.00000 0.02117 0.05189 = 0.03599 -0.01560 -0.01298 -0.00996 AFIX 43 H39 2 0.107003 0.300010 0.526537 11.00000 -1.20000 AFIX 0 C38 1 0.231912 0.360743 0.516408 11.00000 0.02568 0.05289 = 0.02459 -0.00495 -0.01137 -0.01169 AFIX 43 H38 2 0.225942 0.394215 0.475276 11.00000 -1.20000 AFIX 0 C20 1 0.708553 0.040114 0.503937 11.00000 0.02153 0.03636 = 0.03589 -0.02048 -0.00455 -0.00441 C19 1 0.887575 0.149353 0.671371 11.00000 0.01886 0.03146 = 0.03176 -0.00987 -0.01034 0.00064 AFIX 137 H19A 2 0.933173 0.165499 0.694610 11.00000 -1.50000 H19B 2 0.936124 0.121614 0.628688 11.00000 -1.50000 H19C 2 0.853129 0.102029 0.698511 11.00000 -1.50000 AFIX 0 C52 1 -0.029353 0.780945 0.671525 11.00000 0.03900 0.02660 = 0.05116 0.00583 -0.02156 -0.00874 C48 1 -0.114021 0.600811 0.679923 11.00000 0.03236 0.03063 = 0.03227 -0.00421 -0.01435 -0.00878 C59 1 -0.071167 0.575169 0.849020 11.00000 0.04271 0.04700 = 0.03181 0.00269 -0.01657 -0.00902 AFIX 137 H59A 2 -0.101207 0.530156 0.835984 11.00000 -1.50000 H59B 2 -0.101713 0.583855 0.896999 11.00000 -1.50000 H59C 2 0.011644 0.548726 0.837684 11.00000 -1.50000 AFIX 0 C33 1 0.407171 0.627430 0.780516 11.00000 0.03057 0.03749 = 0.04430 -0.01433 -0.00070 -0.01183 AFIX 13 H33 2 0.458301 0.573350 0.750409 11.00000 -1.20000 AFIX 0 C28 1 0.159950 0.522381 0.937238 11.00000 0.02248 0.05851 = 0.01918 -0.00711 -0.00266 -0.00736 AFIX 43 H28 2 0.107033 0.500877 0.972363 11.00000 -1.20000 AFIX 0 C15 1 0.658155 0.272020 0.963775 11.00000 0.05642 0.06323 = 0.02622 0.01044 -0.02144 -0.02544 AFIX 137 H15A 2 0.575550 0.298523 0.973153 11.00000 -1.50000 H15B 2 0.680245 0.273016 1.003912 11.00000 -1.50000 H15C 2 0.683700 0.205074 0.949808 11.00000 -1.50000 AFIX 0 C30 1 0.247105 0.346576 0.896112 11.00000 0.03544 0.04648 = 0.03156 0.00371 0.00432 -0.00776 AFIX 13 H30 2 0.282928 0.319259 0.850886 11.00000 -1.20000 AFIX 0 C27 1 0.155070 0.619955 0.932986 11.00000 0.02106 0.05778 = 0.03023 -0.02489 -0.00759 -0.00068 AFIX 43 H27 2 0.098111 0.663944 0.964368 11.00000 -1.20000 AFIX 0 C46 1 0.312769 0.542868 0.516415 11.00000 0.03995 0.04858 = 0.03792 0.01227 -0.01503 -0.01595 AFIX 137 H46A 2 0.248829 0.553793 0.498190 11.00000 -1.50000 H46B 2 0.358814 0.583445 0.491403 11.00000 -1.50000 H46C 2 0.284176 0.559833 0.563185 11.00000 -1.50000 AFIX 0 C21 1 0.838454 -0.014824 0.485541 11.00000 0.02683 0.04206 = 0.04967 -0.02791 -0.00511 -0.00239 AFIX 137 H21A 2 0.879849 0.031152 0.465189 11.00000 -1.50000 H21B 2 0.856876 -0.064998 0.454082 11.00000 -1.50000 H21C 2 0.860243 -0.045138 0.525794 11.00000 -1.50000 AFIX 0 C17 1 0.845352 0.293024 0.893756 11.00000 0.03022 0.05909 = 0.03476 -0.01398 -0.02065 -0.00353 AFIX 137 H17A 2 0.871038 0.224537 0.883061 11.00000 -1.50000 H17B 2 0.866039 0.298791 0.933479 11.00000 -1.50000 H17C 2 0.881427 0.329414 0.856393 11.00000 -1.50000 AFIX 0 C23 1 0.646019 -0.036023 0.536686 11.00000 0.03917 0.04341 = 0.07557 -0.03270 -0.00023 -0.01531 AFIX 137 H23A 2 0.667350 -0.064257 0.577417 11.00000 -1.50000 H23B 2 0.667699 -0.087491 0.505638 11.00000 -1.50000 H23C 2 0.563946 -0.003882 0.547463 11.00000 -1.50000 AFIX 0 C16 1 0.674389 0.441360 0.930474 11.00000 0.03667 0.05147 = 0.03330 -0.01164 -0.01757 -0.00944 AFIX 137 H16A 2 0.706147 0.481983 0.894391 11.00000 -1.50000 H16B 2 0.700774 0.441382 0.969146 11.00000 -1.50000 H16C 2 0.591503 0.467217 0.942537 11.00000 -1.50000 AFIX 0 C50 1 -0.031164 0.551259 0.613849 11.00000 0.05030 0.03752 = 0.03795 -0.01234 -0.01687 -0.00643 AFIX 137 H50A 2 -0.010768 0.600942 0.581220 11.00000 -1.50000 H50B 2 -0.068597 0.517255 0.596092 11.00000 -1.50000 H50C 2 0.037457 0.504731 0.623100 11.00000 -1.50000 AFIX 0 C54 1 -0.142803 0.867552 0.690581 11.00000 0.05990 0.02410 = 0.05931 0.00042 -0.02770 0.00083 AFIX 137 H54A 2 -0.204364 0.849828 0.683744 11.00000 -1.50000 H54B 2 -0.134292 0.925025 0.662566 11.00000 -1.50000 H54C 2 -0.160535 0.881838 0.737323 11.00000 -1.50000 AFIX 0 C53 1 0.007056 0.767690 0.594399 11.00000 0.04716 0.03927 = 0.04782 0.01294 -0.01119 -0.01124 AFIX 137 H53A 2 0.075830 0.711766 0.582504 11.00000 -1.50000 H53B 2 0.021949 0.826235 0.570881 11.00000 -1.50000 H53C 2 -0.053950 0.756819 0.581805 11.00000 -1.50000 AFIX 0 C51 1 -0.144862 0.516150 0.727292 11.00000 0.06030 0.04449 = 0.04785 -0.00071 -0.02039 -0.02931 AFIX 137 H51A 2 -0.076098 0.469778 0.736473 11.00000 -1.50000 H51B 2 -0.178556 0.483121 0.705955 11.00000 -1.50000 H51C 2 -0.199195 0.542669 0.769038 11.00000 -1.50000 AFIX 0 C58 1 -0.057924 0.742468 0.837107 11.00000 0.07697 0.04571 = 0.05165 -0.01039 -0.04008 -0.01308 AFIX 137 H58A 2 0.025025 0.717631 0.823113 11.00000 -1.50000 H58B 2 -0.084586 0.742778 0.885698 11.00000 -1.50000 H58C 2 -0.083651 0.808693 0.818725 11.00000 -1.50000 AFIX 0 C49 1 -0.225260 0.673706 0.665793 11.00000 0.03207 0.05434 = 0.03898 -0.00592 -0.01767 -0.01065 AFIX 137 H49A 2 -0.273896 0.708261 0.706175 11.00000 -1.50000 H49B 2 -0.265479 0.637885 0.652104 11.00000 -1.50000 H49C 2 -0.205895 0.720508 0.630273 11.00000 -1.50000 AFIX 0 C44 1 0.139488 0.244920 0.762223 11.00000 0.06520 0.06048 = 0.03211 -0.00170 0.00322 -0.02031 AFIX 137 H44A 2 0.123826 0.314295 0.766756 11.00000 -1.50000 H44B 2 0.146102 0.210088 0.804541 11.00000 -1.50000 H44C 2 0.077465 0.235349 0.749955 11.00000 -1.50000 AFIX 0 C47 1 0.449863 0.407939 0.436738 11.00000 0.04654 0.08454 = 0.02861 -0.00512 -0.00009 -0.03336 AFIX 137 H47A 2 0.495191 0.339128 0.434597 11.00000 -1.50000 H47B 2 0.499661 0.447649 0.417616 11.00000 -1.50000 H47C 2 0.394300 0.420757 0.411582 11.00000 -1.50000 AFIX 0 C57 1 -0.239250 0.720049 0.830571 11.00000 0.03912 0.06451 = 0.03276 -0.01118 -0.00943 0.00559 AFIX 137 H57A 2 -0.260947 0.783235 0.807354 11.00000 -1.50000 H57B 2 -0.268305 0.728290 0.878632 11.00000 -1.50000 H57C 2 -0.271249 0.676275 0.817841 11.00000 -1.50000 AFIX 0 C35 1 0.350773 0.712218 0.737223 11.00000 0.05360 0.06207 = 0.04758 -0.00079 -0.01109 -0.02066 AFIX 137 H35A 2 0.307464 0.690463 0.715357 11.00000 -1.50000 H35B 2 0.409399 0.733378 0.703524 11.00000 -1.50000 H35C 2 0.299773 0.766461 0.765395 11.00000 -1.50000 AFIX 0 C43 1 0.281158 0.094066 0.701287 11.00000 0.06312 0.04303 = 0.05607 0.00139 -0.01409 -0.01165 AFIX 137 H43A 2 0.218699 0.081493 0.691475 11.00000 -1.50000 H43B 2 0.292254 0.060306 0.743205 11.00000 -1.50000 H43C 2 0.350678 0.070487 0.665373 11.00000 -1.50000 AFIX 0 C22 1 0.675956 0.085147 0.438333 11.00000 0.04356 0.07176 = 0.04013 -0.03185 -0.01544 0.00084 AFIX 137 H22A 2 0.593477 0.113824 0.448118 11.00000 -1.50000 H22B 2 0.702492 0.034254 0.406206 11.00000 -1.50000 H22C 2 0.711522 0.135511 0.419668 11.00000 -1.50000 AFIX 0 C31 1 0.128014 0.332431 0.923084 11.00000 0.04514 0.05817 = 0.05947 0.00077 -0.01703 -0.01919 AFIX 137 H31A 2 0.095111 0.351179 0.969459 11.00000 -1.50000 H31B 2 0.135770 0.264170 0.920340 11.00000 -1.50000 H31C 2 0.078427 0.373068 0.896380 11.00000 -1.50000 AFIX 0 C34 1 0.482149 0.657540 0.813536 11.00000 0.04864 0.07623 = 0.07595 0.00198 -0.02217 -0.03933 AFIX 137 H34A 2 0.434313 0.710410 0.843584 11.00000 -1.50000 H34B 2 0.539309 0.679352 0.779012 11.00000 -1.50000 H34C 2 0.519843 0.601739 0.838719 11.00000 -1.50000 AFIX 0 C55 1 0.068407 0.808350 0.685162 11.00000 0.06759 0.04811 = 0.09120 0.01885 -0.03905 -0.03609 AFIX 137 H55A 2 0.052611 0.814840 0.732957 11.00000 -1.50000 H55B 2 0.072674 0.869984 0.661725 11.00000 -1.50000 H55C 2 0.140704 0.757260 0.669282 11.00000 -1.50000 AFIX 0 C32 1 0.321343 0.286873 0.941964 11.00000 0.05223 0.07433 = 0.14064 0.05526 -0.04464 -0.02637 AFIX 137 H32A 2 0.399148 0.288262 0.922644 11.00000 -1.50000 H32B 2 0.320998 0.219612 0.946357 11.00000 -1.50000 H32C 2 0.290778 0.315034 0.985853 11.00000 -1.50000 AFIX 0 C206 1 0.159721 0.949573 0.876229 11.00000 0.21897 0.06721 = 0.19615 -0.04562 0.04816 -0.04476 AFIX 137 H20A 2 0.164139 1.014372 0.878319 11.00000 -1.50000 H20B 2 0.197982 0.926320 0.831122 11.00000 -1.50000 H20C 2 0.196662 0.904940 0.907574 11.00000 -1.50000 AFIX 66 C201 1 -0.125175 1.013202 0.856587 11.00000 0.36752 0.06174 = 0.09164 -0.00625 -0.05223 -0.06695 AFIX 43 H201 2 -0.164195 1.046362 0.824689 11.00000 -1.20000 AFIX 65 C200 1 -0.182887 0.973419 0.916088 11.00000 0.34984 0.05393 = 0.10804 -0.02671 -0.04585 -0.03499 AFIX 43 H200 2 -0.260519 0.979962 0.924001 11.00000 -1.20000 AFIX 65 C205 1 -0.124567 0.923858 0.963763 11.00000 0.33378 0.06805 = 0.08070 -0.01097 -0.03256 -0.06973 AFIX 43 H205 2 -0.163181 0.897241 1.003573 11.00000 -1.20000 AFIX 65 C204 1 -0.008536 0.914078 0.951936 11.00000 0.28566 0.05194 = 0.07046 -0.01836 0.01429 -0.07374 AFIX 43 H204 2 0.030483 0.880918 0.983833 11.00000 -1.20000 AFIX 65 C203 1 0.049177 0.953859 0.892434 11.00000 0.25412 0.06581 = 0.10740 -0.04178 0.01020 -0.05608 C202 1 -0.009141 1.003421 0.844759 11.00000 0.36751 0.05029 = 0.09793 0.00577 -0.08767 -0.05816 AFIX 43 H202 2 0.029472 1.030038 0.804949 11.00000 -1.20000 AFIX 0 C300 1 0.471333 -0.096096 0.930694 11.00000 0.13646 0.12724 = 0.10833 0.04583 0.02623 -0.01430 AFIX 137 H30A 2 0.398314 -0.058732 0.959291 11.00000 -1.50000 H30B 2 0.529398 -0.112583 0.954453 11.00000 -1.50000 H30C 2 0.465174 -0.155806 0.918742 11.00000 -1.50000 AFIX 66 C301 1 0.503723 -0.036518 0.868705 11.00000 0.06912 0.06458 = 0.07899 0.02483 0.00005 -0.01778 C306 1 0.507209 -0.072093 0.808797 11.00000 0.05860 0.07421 = 0.10134 0.00548 -0.01696 -0.00869 AFIX 43 H306 2 0.487658 -0.129027 0.809836 11.00000 -1.20000 AFIX 65 C305 1 0.539915 -0.022575 0.747335 11.00000 0.06209 0.10079 = 0.09928 0.01549 -0.02326 0.00385 AFIX 43 H305 2 0.542247 -0.046377 0.707253 11.00000 -1.20000 AFIX 65 C304 1 0.569136 0.062519 0.745782 11.00000 0.06857 0.09329 = 0.11115 0.04209 -0.01087 -0.01328 AFIX 43 H304 2 0.591019 0.095650 0.704660 11.00000 -1.20000 AFIX 65 C303 1 0.565651 0.098095 0.805690 11.00000 0.09249 0.07787 = 0.13574 0.02249 -0.01619 -0.03650 AFIX 43 H303 2 0.585202 0.155028 0.804651 11.00000 -1.20000 AFIX 65 C302 1 0.532944 0.048578 0.867152 11.00000 0.10541 0.08473 = 0.11486 0.00143 -0.02054 -0.02270 AFIX 43 H302 2 0.530612 0.072380 0.907235 11.00000 -1.20000 AFIX 0 HKLF 4 REM 80cmcm20_a.res in P-1 REM wR2 = 0.1005, GooF = S = 1.023, Restrained GooF = 1.044 for all data REM R1 = 0.0407 for 13962 Fo > 4sig(Fo) and 0.0586 for all 17762 data REM 715 parameters refined using 214 restraints END WGHT 0.0341 2.8890 REM Highest difference peak 0.895, deepest hole -0.653, 1-sigma level 0.068 Q1 1 0.1124 0.9029 0.9330 11.00000 0.05 0.89 Q2 1 0.5189 -0.0488 0.7940 11.00000 0.05 0.65 Q3 1 -0.0773 0.9470 0.9232 11.00000 0.05 0.60 Q4 1 0.5616 0.0997 0.7810 11.00000 0.05 0.58 Q5 1 0.5704 0.0315 0.7438 11.00000 0.05 0.45 Q6 1 -0.2105 0.9476 0.9615 11.00000 0.05 0.44 Q7 1 0.1757 0.3330 0.8808 11.00000 0.05 0.42 Q8 1 0.3182 0.4819 0.8773 11.00000 0.05 0.41 Q9 1 0.7534 0.2351 0.6382 11.00000 0.05 0.41 Q10 1 -0.1610 0.9219 0.9587 11.00000 0.05 0.40 ; _shelx_res_checksum 62695 _shelx_hkl_file ; 0 0 -3 282.20 5.78 0 0 -3 281.28 6.32 0 0 3 265.46 5.76 0 0 3 272.81 6.50 0 0 4 26.12 2.11 0 0 -4 32.10 1.86 0 0 -4 28.45 2.05 0 0 4 28.28 1.75 0 0 -5 5080.57 75.44 0 0 5 5140.13 77.61 0 0 -5 5155.37 76.87 0 0 5 5037.90 75.50 0 0 6 55.73 4.11 0 0 -6 66.50 3.35 0 0 6 67.75 3.52 0 0 -6 50.76 3.77 0 0 -7 1827.79 31.70 0 0 7 1748.51 32.68 0 0 7 1779.39 30.15 0 0 -7 1815.04 29.99 0 0 8 1199.09 24.95 0 0 8 1175.05 21.97 0 0 -8 1176.52 23.42 0 0 -8 1224.92 21.88 0 0 -9 1707.16 31.59 0 0 -9 1743.65 29.92 0 0 9 1717.57 30.17 0 0 9 1678.59 33.78 0 0 -10 998.56 20.13 0 0 10 1038.10 20.54 0 0 -10 1023.23 22.00 0 0 10 1026.95 24.33 0 0 -11 48.21 4.07 0 0 -11 50.87 3.46 0 0 11 52.89 3.73 0 0 -12 1158.86 25.26 0 0 12 1177.35 23.75 0 0 -12 1146.97 23.06 0 0 13 167.85 9.72 0 0 13 173.68 7.45 0 0 -13 168.87 8.04 0 0 -13 163.24 6.74 0 0 14 617.44 16.23 0 0 -14 645.58 15.56 0 0 14 622.50 20.86 0 0 -14 634.65 17.53 0 0 -15 553.35 16.63 0 0 -15 548.11 14.30 0 0 15 577.27 20.43 0 0 15 574.87 15.44 0 0 16 157.90 10.67 0 0 -16 159.23 8.64 0 0 16 156.81 7.52 0 0 -16 163.07 7.12 0 0 -17 156.93 6.43 0 0 17 165.73 7.74 0 0 -17 160.68 7.16 0 0 -17 164.62 8.88 0 0 -18 144.12 6.79 0 0 18 140.09 7.18 0 0 -18 113.46 5.41 0 0 -18 140.89 8.37 0 0 -19 133.79 5.69 0 0 19 138.59 7.16 0 0 -19 136.56 8.47 0 0 -19 118.08 5.28 0 0 -19 133.24 6.66 0 0 -20 65.20 4.52 0 0 -20 67.07 3.78 0 0 -20 53.61 3.40 0 0 -20 62.55 5.92 0 0 -21 46.06 3.03 0 0 -21 60.21 6.12 0 0 -21 49.47 7.94 0 0 -22 314.86 13.99 0 0 -22 262.86 18.81 0 0 -23 22.87 4.20 0 0 -23 17.09 5.41 0 0 -24 106.52 8.37 0 0 -24 93.45 12.03 0 0 -25 10.27 3.18 0 0 -25 13.69 5.79 0 0 -26 42.95 5.47 0 0 -27 61.87 6.73 0 1 -27 49.96 6.15 0 1 -26 85.85 8.15 0 1 -25 5.31 3.60 0 1 -25 8.13 3.36 0 1 -24 69.07 7.01 0 1 -24 68.83 10.36 0 1 -23 10.64 4.77 0 1 -23 10.38 3.20 0 1 -22 268.20 13.21 0 1 -22 251.41 18.52 0 1 -21 61.72 3.40 0 1 -21 72.83 6.85 0 1 -20 56.42 6.03 0 1 -20 48.76 3.19 0 -1 19 161.67 7.75 0 1 -19 174.40 9.58 0 1 -19 164.35 6.16 0 1 -18 0.76 1.05 0 1 -18 -2.63 2.17 0 -1 18 0.52 1.27 0 1 -17 269.13 8.31 0 1 -17 264.04 11.28 0 -1 17 262.49 10.05 0 1 -16 195.17 7.67 0 1 -16 187.83 6.75 0 -1 16 202.19 8.64 0 1 -16 203.51 9.52 0 1 -15 240.80 10.32 0 -1 15 259.36 13.01 0 -1 15 242.20 9.46 0 1 -15 246.47 8.58 0 1 -15 250.87 7.81 0 -1 14 1010.28 22.79 0 -1 14 1036.03 28.06 0 1 -14 1046.70 24.37 0 1 -14 1067.45 21.65 0 -1 13 86.86 5.13 0 1 -13 79.22 4.48 0 -1 13 89.72 7.07 0 1 -13 82.94 5.61 0 -1 12 874.27 19.49 0 -1 12 857.63 23.86 0 1 -12 870.97 18.52 0 1 -12 881.18 20.82 0 1 -11 489.78 12.15 0 -1 11 491.30 13.00 0 1 -11 505.12 14.07 0 1 -10 939.98 19.29 0 1 -10 997.59 21.27 0 -1 10 979.01 20.21 0 -1 10 1006.70 23.84 0 -1 9 363.11 10.04 0 1 -9 373.32 10.97 0 1 -9 369.39 9.58 0 -1 9 371.99 12.10 0 1 -8 1418.99 24.89 0 1 -8 1408.04 26.46 0 -1 8 1412.51 25.54 0 -1 8 1409.39 28.19 0 -1 7 41.30 2.75 0 1 -7 43.11 2.61 0 -1 7 38.76 3.23 0 1 -7 45.40 3.14 0 1 -6 369.71 9.49 0 -1 6 381.47 10.33 0 1 -6 362.94 8.54 0 -1 6 388.63 9.01 0 -1 5 1049.59 18.57 0 1 -5 1049.77 19.30 0 1 -5 1056.09 18.24 0 -1 5 1069.82 20.03 0 1 -4 372.70 7.81 0 1 -4 400.18 8.61 0 -1 4 372.35 8.05 0 1 -4 359.79 7.47 0 -1 3 4602.76 67.30 0 1 -3 4568.26 67.78 0 1 -3 4529.93 66.87 0 -1 -3 1.16 0.47 0 -1 -3 2.46 0.93 0 -1 -3 1.61 0.57 0 -1 -4 178.19 5.04 0 1 4 167.75 5.67 0 -1 -4 169.40 4.73 0 -1 -4 175.47 5.55 0 1 4 169.42 4.91 0 1 5 2034.95 35.25 0 1 5 2153.03 33.60 0 -1 -5 2102.74 33.62 0 -1 -5 2028.94 33.15 0 -1 -5 2130.56 34.87 0 -1 -6 233.65 7.44 0 -1 -6 234.89 6.70 0 1 6 237.24 8.06 0 1 6 235.07 6.69 0 -1 -7 2130.65 34.92 0 1 7 2085.22 34.86 0 1 7 2113.39 37.75 0 -1 -7 2102.38 36.47 0 -1 -8 3.29 1.03 0 1 8 4.34 1.19 0 1 8 5.15 1.77 0 -1 -8 0.78 1.20 0 -1 -9 2671.22 45.38 0 -1 -9 2593.23 43.54 0 1 9 2627.57 47.77 0 1 9 2677.80 43.71 0 1 10 1546.07 32.28 0 -1 -10 1439.16 27.58 0 -1 -10 1522.25 29.32 0 1 10 1492.02 27.71 0 -1 -11 7.56 1.54 0 -1 -11 6.40 1.96 0 1 11 5.16 1.95 0 1 11 7.19 1.66 0 -1 -12 714.77 18.30 0 -1 -12 709.94 15.90 0 -1 -12 721.68 16.73 0 1 12 727.65 16.92 0 -1 -13 408.82 11.73 0 -1 -13 412.79 13.22 0 1 13 382.27 11.73 0 -1 -13 402.97 11.16 0 -1 -14 133.85 6.04 0 1 14 149.97 9.59 0 1 14 152.98 7.00 0 -1 -14 145.37 7.65 0 -1 -14 144.50 6.65 0 -1 -15 336.29 10.33 0 -1 -15 353.60 12.77 0 1 15 351.18 11.54 0 1 15 368.68 15.95 0 -1 -15 365.09 11.30 0 -1 -16 267.50 9.68 0 1 16 278.61 10.11 0 -1 -16 261.71 8.76 0 1 16 277.64 14.04 0 -1 -16 278.59 11.29 0 -1 -17 383.48 12.04 0 -1 -17 361.23 10.66 0 1 17 377.50 12.08 0 -1 -17 368.90 13.86 0 -1 -18 202.15 9.90 0 -1 -18 180.43 6.93 0 -1 -18 168.72 7.71 0 -1 -18 203.66 8.52 0 1 18 200.64 8.54 0 -1 -19 33.87 2.91 0 -1 -19 36.46 3.52 0 -1 -19 44.04 4.96 0 -1 -19 36.86 3.58 0 -1 -20 39.87 3.75 0 -1 -20 42.93 7.40 0 -1 -20 45.21 5.02 0 -1 -20 51.22 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1 -5 -15 4.94 3.27 1 -5 -15 5.64 2.34 1 -5 -14 501.17 20.74 1 -5 -14 505.11 16.01 1 -5 -14 496.41 15.94 1 -5 -14 518.25 17.86 1 -5 -13 134.75 7.64 1 -5 -13 125.55 9.63 1 -5 -13 137.67 7.80 1 -5 -13 144.87 9.05 1 -5 -12 597.33 17.54 1 -5 -12 600.58 21.53 1 -5 -12 629.66 18.10 1 -5 -12 618.85 19.74 1 -5 -11 902.37 22.67 1 -5 -11 973.40 23.28 1 -5 -11 894.55 26.43 1 -5 -11 924.29 24.92 -1 5 10 33.01 3.69 1 -5 -10 30.59 4.33 1 -5 -10 36.64 3.88 1 -5 -10 39.33 4.57 1 -5 -10 31.24 3.60 1 -5 -9 732.61 19.15 1 -5 -9 713.36 18.93 1 -5 -9 710.66 21.27 -1 5 9 690.60 18.58 1 -5 -8 23.70 3.60 -1 5 8 17.17 2.69 1 -5 -8 19.56 3.00 1 -5 -7 206.29 9.57 -1 5 7 204.04 8.74 1 -5 -7 205.92 8.85 -1 5 6 65.86 4.84 1 -5 -6 77.87 5.20 1 -5 -6 84.19 5.75 1 -5 -5 307.60 10.55 -1 5 5 302.81 10.99 -1 5 5 302.00 10.62 -1 5 5 314.56 10.62 -1 5 4 2014.12 36.52 1 -5 -4 2005.00 36.98 -1 5 4 1970.72 37.19 1 -5 -3 14.61 2.18 -1 5 3 14.39 2.01 -1 5 2 69.14 4.14 1 -5 -2 75.34 4.72 1 -5 -1 463.76 12.57 1 -5 -1 460.36 12.83 1 -5 0 309.74 9.83 1 -5 0 297.70 8.99 1 -5 0 302.08 9.89 -1 5 -1 1409.14 28.11 1 -5 1 1439.94 26.19 1 -5 1 1416.56 27.69 -1 5 -2 46.90 3.73 1 -5 2 50.83 3.78 1 -5 2 47.69 3.22 -1 5 -3 729.14 17.36 1 -5 3 732.41 17.35 -1 5 -3 749.43 17.85 1 -5 3 728.37 15.93 -1 5 -4 73.90 4.83 -1 5 -4 71.52 4.55 1 -5 4 78.13 4.79 -1 5 -5 605.53 14.90 1 -5 5 603.35 15.47 -1 5 -5 546.24 15.24 -1 5 -6 65.64 4.56 1 -5 6 69.61 4.74 -1 5 -6 64.14 4.67 -1 5 -6 70.28 4.43 1 -5 7 28.26 3.29 1 -5 7 26.52 3.06 -1 5 -7 29.64 3.36 -1 5 -7 23.64 2.87 -1 5 -8 599.11 16.00 -1 5 -8 634.65 16.83 1 -5 8 612.40 16.98 -1 5 -9 77.05 5.14 1 -5 9 87.93 5.82 -1 5 -9 91.27 5.83 1 -5 10 486.14 15.49 -1 5 -10 488.40 15.09 -1 5 -10 499.94 14.19 -1 5 -11 446.74 13.49 1 -5 11 464.80 15.26 1 -5 11 453.05 14.89 -1 5 -11 437.01 14.47 -1 5 -12 165.93 8.64 1 -5 12 172.99 9.08 -1 5 -12 163.33 7.58 1 -5 12 146.79 8.26 -1 5 -13 85.52 6.31 1 -5 13 89.19 6.55 -1 5 -13 90.38 5.66 -1 5 -14 5.27 1.90 1 -5 14 6.27 2.34 -1 5 -14 8.92 2.73 -1 5 -15 199.18 10.18 -1 5 -15 192.28 8.59 1 -5 15 199.45 10.02 -1 5 -16 135.53 8.72 -1 5 -16 132.83 7.08 1 -5 16 122.90 7.93 -1 5 -17 142.33 8.95 -1 5 -17 128.22 7.03 1 -5 17 127.18 8.25 -1 5 -18 58.43 4.73 -1 5 -18 68.71 6.62 1 -5 18 57.97 5.64 -1 5 -19 25.12 4.40 -1 5 -20 91.74 8.07 -1 5 -21 6.68 3.13 -1 5 -22 22.74 4.57 -1 5 -23 99.10 8.76 -1 5 -24 -2.02 3.11 -1 5 -25 99.51 9.01 1 -4 -26 116.94 8.42 1 -4 -25 11.85 5.00 1 -4 -25 11.63 3.25 1 -4 -24 67.93 10.18 1 -4 -24 64.20 6.34 1 -4 -23 106.10 12.00 1 -4 -23 99.73 8.11 1 -4 -22 30.18 6.70 1 -4 -22 39.75 5.16 1 -4 -21 89.09 11.00 1 -4 -21 86.44 7.44 1 -4 -20 1.62 2.56 1 -4 -20 3.65 3.54 1 -4 -20 3.23 1.76 1 -4 -19 35.29 4.14 1 -4 -19 41.64 5.24 1 -4 -19 42.29 4.36 1 -4 -19 28.23 6.39 1 -4 -18 56.04 5.03 1 -4 -18 53.67 5.89 1 -4 -18 56.26 7.85 1 -4 -18 53.89 4.72 1 -4 -17 70.23 5.48 1 -4 -17 69.98 5.32 1 -4 -17 61.11 8.05 1 -4 -17 59.51 6.04 1 -4 -16 94.48 6.28 1 -4 -16 102.06 7.71 1 -4 -16 102.13 9.87 1 -4 -16 95.72 6.15 1 -4 -15 12.70 2.60 1 -4 -15 22.77 5.09 1 -4 -15 12.86 2.40 1 -4 -15 17.33 3.51 1 -4 -14 190.06 10.18 1 -4 -14 191.80 8.64 1 -4 -14 188.26 12.18 1 -4 -14 191.68 9.00 1 -4 -13 25.46 4.85 1 -4 -13 21.94 2.99 1 -4 -13 27.41 3.31 1 -4 -13 26.85 3.91 1 -4 -12 49.80 4.27 1 -4 -12 47.78 5.88 1 -4 -12 54.41 5.31 1 -4 -12 51.05 4.50 1 -4 -11 359.57 13.81 1 -4 -11 344.58 11.72 1 -4 -11 343.11 15.11 1 -4 -11 359.92 12.28 1 -4 -10 18.98 3.68 1 -4 -10 13.21 3.26 1 -4 -10 17.66 2.67 1 -4 -10 11.87 2.15 1 -4 -9 333.09 11.33 1 -4 -9 325.78 11.02 1 -4 -9 329.07 12.77 -1 4 9 328.20 11.00 1 -4 -9 315.59 13.33 1 -4 -8 538.27 17.33 1 -4 -8 561.92 15.12 -1 4 8 561.68 14.90 1 -4 -7 65.71 5.36 -1 4 7 62.53 4.27 1 -4 -7 66.75 4.57 1 -4 -6 32.58 3.57 1 -4 -6 32.31 3.21 -1 4 6 30.60 2.95 -1 4 5 141.48 6.28 -1 4 5 142.83 6.69 1 -4 -5 155.18 6.62 1 -4 -5 145.64 7.10 -1 4 5 130.89 6.68 1 -4 -4 1.71 1.09 -1 4 4 1.00 1.05 -1 4 4 0.99 1.02 -1 4 4 1.23 1.39 -1 4 3 12.77 2.06 -1 4 3 11.40 2.00 1 -4 -3 10.93 1.75 1 -4 -2 2.34 1.10 -1 4 2 4.40 1.17 1 -4 -1 17.21 2.23 1 -4 -1 18.30 2.02 1 -4 0 1523.24 28.46 1 -4 0 1607.07 28.67 1 -4 1 1013.15 20.42 -1 4 -1 1000.72 20.59 1 -4 1 993.51 19.27 1 -4 2 69.18 4.07 1 -4 2 63.51 3.50 -1 4 -2 72.80 4.11 1 -4 3 1.40 0.92 -1 4 -3 1.86 1.50 -1 4 -3 1.90 1.24 1 -4 3 1.02 0.76 -1 4 -3 2.33 1.27 1 -4 4 2.19 1.39 -1 4 -4 2.50 1.24 -1 4 -4 0.11 1.03 -1 4 -4 1.45 1.17 -1 4 -5 23.77 2.67 1 -4 5 21.23 2.55 -1 4 -5 23.05 2.71 1 -4 6 527.33 13.93 1 -4 6 578.10 14.62 -1 4 -6 541.63 14.13 -1 4 -6 547.59 13.88 -1 4 -7 31.52 3.04 -1 4 -7 28.76 3.02 1 -4 7 26.40 2.93 -1 4 -8 582.52 14.69 -1 4 -8 576.69 15.28 1 -4 8 578.69 15.66 1 -4 9 101.73 5.98 -1 4 -9 94.47 5.27 -1 4 -9 97.36 5.86 1 -4 10 27.34 3.38 -1 4 -10 24.04 3.04 -1 4 -10 25.20 2.78 1 -4 11 237.84 10.09 -1 4 -11 242.08 8.85 1 -4 11 257.17 10.79 -1 4 -11 241.16 9.88 -1 4 -12 55.06 4.82 1 -4 12 61.31 5.07 1 -4 12 49.11 4.90 -1 4 -12 56.37 4.21 1 -4 13 405.99 14.20 1 -4 13 413.07 15.19 -1 4 -13 390.66 12.12 -1 4 -13 403.20 13.79 -1 4 -14 12.49 2.21 1 -4 14 11.35 2.56 -1 4 -14 11.67 2.89 -1 4 -15 37.08 4.49 1 -4 15 33.90 4.06 -1 4 -15 36.29 3.47 -1 4 -16 6.45 1.95 -1 4 -16 4.38 2.22 1 -4 16 5.22 2.07 -1 4 -17 31.88 4.55 -1 4 -17 28.77 3.22 1 -4 17 31.11 4.01 -1 4 -18 44.25 5.20 -1 4 -18 49.23 4.17 1 -4 18 48.08 5.06 -1 4 -19 6.11 1.94 -1 4 -19 8.99 3.05 1 -4 19 4.24 2.08 -1 4 -20 20.46 2.67 -1 4 -20 26.42 4.46 -1 4 -21 36.65 3.63 -1 4 -21 36.86 5.20 -1 4 -22 1.78 2.60 -1 4 -23 40.66 5.92 -1 4 -24 5.78 3.39 -1 4 -25 21.06 4.54 1 -3 -27 -0.66 2.37 1 -3 -26 36.25 4.89 1 -3 -25 7.53 4.50 1 -3 -25 7.21 2.88 1 -3 -24 -1.19 2.23 1 -3 -24 5.40 3.92 1 -3 -23 11.17 5.30 1 -3 -23 5.66 2.47 1 -3 -22 -3.86 4.69 1 -3 -22 -2.25 2.88 1 -3 -21 -0.12 2.32 1 -3 -21 -0.45 3.75 1 -3 -20 -0.02 2.38 1 -3 -20 3.45 3.11 1 -3 -20 3.75 1.69 1 -3 -19 10.18 4.22 1 -3 -19 12.10 2.23 1 -3 -19 14.13 3.45 1 -3 -19 13.07 2.46 1 -3 -18 16.35 4.46 1 -3 -18 18.62 3.85 1 -3 -18 17.81 2.86 1 -3 -18 19.23 2.80 1 -3 -17 5.07 1.65 1 -3 -17 8.76 3.79 1 -3 -17 5.25 1.83 1 -3 -17 13.72 3.28 1 -3 -16 21.33 4.89 1 -3 -16 15.14 2.51 1 -3 -16 18.87 3.53 1 -3 -16 13.83 2.54 1 -3 -15 0.48 2.98 1 -3 -15 -0.75 2.69 1 -3 -15 -1.05 1.41 1 -3 -15 0.20 1.18 1 -3 -14 -0.01 1.10 1 -3 -14 0.03 2.15 1 -3 -14 0.92 1.85 1 -3 -14 -0.44 1.19 1 -3 -13 5.44 1.90 1 -3 -13 -0.76 1.71 1 -3 -13 0.27 1.03 1 -3 -13 2.85 2.59 1 -3 -12 0.48 1.68 1 -3 -12 2.67 1.25 1 -3 -12 2.60 1.30 1 -3 -12 3.31 2.36 1 -3 -11 31.15 3.96 1 -3 -11 34.42 3.42 1 -3 -11 33.05 3.17 1 -3 -11 34.49 4.94 1 -3 -10 0.56 1.78 1 -3 -10 0.10 1.01 1 -3 -10 1.69 1.80 1 -3 -10 0.85 1.02 1 -3 -9 41.91 4.72 1 -3 -9 57.57 5.10 1 -3 -9 55.52 4.09 1 -3 -9 58.71 3.97 -1 3 8 209.11 7.70 1 -3 -8 213.44 9.52 1 -3 -8 218.60 8.00 1 -3 -8 220.05 7.94 1 -3 -8 217.79 10.20 -1 3 7 1.92 1.06 1 -3 -7 -0.01 1.57 1 -3 -7 2.51 1.50 1 -3 -7 0.56 0.86 1 -3 -7 1.51 0.94 1 -3 -6 19.08 2.85 -1 3 6 19.30 2.11 1 -3 -6 20.69 2.28 1 -3 -5 486.62 12.06 -1 3 5 459.86 12.24 1 -3 -5 465.83 13.59 -1 3 5 472.61 11.63 -1 3 4 31.94 2.59 1 -3 -4 32.09 3.04 1 -3 -4 33.10 2.75 -1 3 4 31.32 2.81 -1 3 4 32.79 3.00 -1 3 3 191.33 6.77 1 -3 -3 179.28 6.41 -1 3 3 178.70 6.79 -1 3 2 511.86 12.14 1 -3 -2 516.10 12.09 1 -3 -1 4.04 1.05 1 -3 -1 3.29 1.16 1 -3 0 930.52 18.31 1 -3 0 932.89 18.04 1 -3 1 193.91 6.36 1 -3 1 190.04 5.91 1 -3 2 498.73 12.09 -1 3 -2 557.29 12.30 -1 3 -2 522.94 12.30 -1 3 -3 80.73 4.15 1 -3 3 89.16 4.39 -1 3 -3 84.50 4.27 -1 3 -4 267.02 7.97 -1 3 -4 252.89 8.04 1 -3 4 246.10 7.92 1 -3 5 135.23 5.76 -1 3 -5 133.42 5.68 1 -3 5 143.17 5.90 -1 3 -5 137.78 5.55 -1 3 -6 143.45 5.86 -1 3 -6 138.83 5.99 1 -3 6 158.85 6.49 -1 3 -7 59.65 3.81 -1 3 -7 61.63 4.07 1 -3 7 63.93 4.22 -1 3 -8 11.07 2.08 -1 3 -8 14.11 1.93 1 -3 8 13.22 2.06 1 -3 9 91.95 5.40 -1 3 -9 90.32 5.23 -1 3 -9 86.66 4.74 -1 3 -10 114.30 5.50 1 -3 10 97.94 6.05 -1 3 -10 111.69 6.02 -1 3 -11 102.14 6.07 1 -3 11 102.48 6.48 -1 3 -11 103.83 5.36 1 -3 11 118.22 6.53 1 -3 12 116.71 6.88 -1 3 -12 112.92 6.55 -1 3 -12 119.40 5.84 1 -3 12 119.99 7.43 1 -3 13 151.84 8.05 -1 3 -13 154.83 6.77 1 -3 13 151.59 8.90 -1 3 -13 145.93 7.73 -1 3 -14 0.47 1.68 1 -3 14 -0.56 1.59 1 -3 14 1.43 1.37 -1 3 -14 -0.74 1.17 1 -3 15 20.68 3.12 -1 3 -15 12.71 2.77 -1 3 -15 10.64 1.88 -1 3 -16 15.75 2.36 -1 3 -16 11.76 2.82 1 -3 16 11.78 2.64 -1 3 -17 -1.00 1.38 1 -3 17 2.09 1.94 -1 3 -17 -0.85 2.02 -1 3 -18 11.85 2.22 -1 3 -18 14.18 3.13 1 -3 18 14.24 2.78 1 -3 19 0.86 1.37 -1 3 -19 3.95 2.56 -1 3 -19 2.21 1.60 -1 3 -20 3.07 1.57 -1 3 -20 -0.85 2.46 1 -3 20 1.60 1.45 -1 3 -21 34.08 4.98 -1 3 -21 35.44 3.46 -1 3 -22 4.63 2.87 -1 3 -23 1.02 2.32 -1 3 -24 0.72 2.38 -1 3 -25 -2.20 2.78 -1 3 -26 -0.84 2.74 1 -2 -27 13.63 3.71 1 -2 -26 26.95 4.44 1 -2 -25 0.55 2.55 1 -2 -25 2.42 3.26 1 -2 -24 58.31 6.31 1 -2 -24 69.91 10.23 1 -2 -23 31.50 6.69 1 -2 -23 28.95 4.87 1 -2 -22 -1.00 4.53 1 -2 -22 2.35 2.21 1 -2 -21 12.21 3.10 1 -2 -21 23.74 6.47 1 -2 -20 0.68 1.17 1 -2 -20 -0.30 2.24 1 -2 -20 0.26 3.11 1 -2 -19 3.36 1.39 1 -2 -19 5.45 1.57 1 -2 -19 4.98 3.15 1 -2 -19 8.32 2.74 1 -2 -18 2.87 1.47 1 -2 -18 5.64 3.95 1 -2 -18 1.57 1.32 1 -2 -18 2.09 2.09 1 -2 -17 -0.71 1.23 1 -2 -17 1.00 1.18 1 -2 -17 1.86 1.96 1 -2 -17 4.55 3.82 1 -2 -16 121.47 10.65 1 -2 -16 141.37 6.48 1 -2 -16 125.97 8.12 1 -2 -16 132.29 6.79 1 -2 -15 -0.20 1.15 1 -2 -15 1.45 2.41 1 -2 -15 -1.59 1.23 1 -2 -15 0.61 1.85 1 -2 -14 2.32 1.36 1 -2 -14 4.28 2.30 1 -2 -14 1.32 0.98 1 -2 -14 1.44 0.97 1 -2 -14 0.72 2.38 1 -2 -13 8.85 2.39 1 -2 -13 13.28 3.53 1 -2 -13 4.62 1.45 1 -2 -13 8.43 1.43 1 -2 -13 11.99 1.91 1 -2 -12 177.00 7.45 1 -2 -12 170.66 6.10 1 -2 -12 169.40 9.06 1 -2 -12 171.46 10.90 1 -2 -12 168.21 6.70 1 -2 -11 2.94 2.21 1 -2 -11 3.26 1.33 1 -2 -11 3.10 0.95 1 -2 -11 3.72 1.20 1 -2 -11 6.79 2.47 1 -2 -10 51.30 4.74 1 -2 -10 51.51 3.74 1 -2 -10 47.06 5.37 1 -2 -10 48.03 3.34 1 -2 -10 47.21 2.92 1 -2 -9 217.30 10.78 1 -2 -9 215.86 9.43 1 -2 -9 215.25 6.56 1 -2 -9 212.60 7.71 1 -2 -9 213.04 7.21 1 -2 -8 27.64 2.39 1 -2 -8 24.38 3.31 1 -2 -8 27.08 2.51 1 -2 -8 27.46 3.74 1 -2 -7 20.26 2.85 1 -2 -7 20.89 2.01 -1 2 7 19.74 1.98 1 -2 -7 18.86 2.06 1 -2 -7 16.76 2.93 -1 2 6 23.51 2.05 1 -2 -6 24.97 2.14 1 -2 -6 27.98 2.37 1 -2 -6 27.47 3.32 1 -2 -6 26.63 3.29 1 -2 -5 28.42 2.28 -1 2 5 29.44 2.18 1 -2 -5 25.98 2.95 -1 2 4 90.94 4.18 -1 2 4 95.88 4.95 1 -2 -4 91.52 5.01 1 -2 -4 91.24 3.95 -1 2 4 90.57 3.70 1 -2 -3 708.91 15.89 -1 2 3 741.89 15.92 1 -2 -3 730.38 14.33 -1 2 3 693.58 14.55 -1 2 2 270.15 7.72 -1 2 2 272.28 7.31 1 -2 -2 258.10 7.04 1 -2 -1 1263.73 21.73 1 -2 -1 1219.08 21.16 1 -2 0 397.15 8.94 1 -2 1 1378.12 23.44 1 -2 2 34.98 2.35 -1 2 -2 35.22 2.40 1 -2 3 1058.05 19.84 -1 2 -3 1111.24 19.91 -1 2 -3 1103.58 19.84 -1 2 -4 45.36 2.76 -1 2 -4 50.69 2.92 1 -2 4 45.82 2.86 1 -2 5 152.42 5.72 -1 2 -5 146.49 5.48 -1 2 -5 153.75 5.55 1 -2 6 92.87 4.32 -1 2 -6 84.31 4.16 -1 2 -6 97.50 4.59 1 -2 6 89.52 4.48 -1 2 -7 201.76 6.74 1 -2 7 201.20 7.28 1 -2 7 192.27 6.93 -1 2 -7 204.43 7.13 -1 2 -8 120.43 5.20 1 -2 8 120.75 5.81 -1 2 -8 117.83 5.44 1 -2 8 117.92 5.67 -1 2 -8 117.45 5.35 -1 2 -9 1384.37 26.37 1 -2 9 1369.77 27.20 1 -2 9 1380.16 27.78 -1 2 -9 1416.12 26.87 -1 2 -9 1330.00 25.55 1 -2 10 42.04 3.64 -1 2 -10 37.64 2.98 -1 2 -10 38.40 3.48 -1 2 -10 34.25 3.11 -1 2 -11 136.65 6.71 -1 2 -11 123.64 6.03 -1 2 -11 129.23 5.76 1 -2 11 125.23 6.62 -1 2 -12 8.99 2.13 -1 2 -12 8.86 1.79 1 -2 12 9.30 1.88 -1 2 -12 8.29 1.69 1 -2 12 8.21 2.28 1 -2 13 20.71 2.89 -1 2 -13 20.95 3.02 1 -2 13 18.35 3.11 -1 2 -13 18.93 2.56 -1 2 -13 20.93 2.52 1 -2 14 90.03 6.82 -1 2 -14 82.51 5.82 -1 2 -14 88.93 5.01 1 -2 14 87.95 5.97 -1 2 -15 7.39 1.74 1 -2 15 9.37 2.55 -1 2 -15 10.83 2.57 1 -2 15 6.73 1.92 -1 2 -16 311.76 10.14 1 -2 16 306.24 12.07 -1 2 -16 315.15 12.26 -1 2 -17 2.05 2.10 -1 2 -17 6.56 1.81 1 -2 17 5.72 2.15 -1 2 -18 -1.40 1.56 1 -2 18 0.32 1.56 -1 2 -18 -1.51 1.88 -1 2 -19 37.40 4.57 1 -2 19 39.85 4.33 -1 2 -19 40.53 3.65 1 -2 20 32.45 4.19 -1 2 -20 24.54 4.18 -1 2 -20 31.75 3.23 -1 2 -21 23.88 2.83 -1 2 -21 23.73 4.27 -1 2 -22 3.16 2.78 -1 2 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370.73 10.16 2 5 -14 375.17 18.67 -2 -5 14 339.35 11.39 2 5 -13 0.57 2.12 -2 -5 13 2.11 1.37 -2 -5 12 359.56 11.26 2 5 -12 373.78 13.44 -2 -5 11 0.25 1.64 2 5 -11 2.56 1.87 -2 -5 11 -0.13 1.03 -2 -5 10 1170.59 29.68 2 5 -10 1165.86 26.18 -2 -5 10 1109.44 23.20 2 5 -9 3.39 1.77 -2 -5 9 2.24 1.28 -2 -5 9 2.39 1.13 2 5 -8 1097.45 23.64 -2 -5 8 1024.09 20.54 2 5 -7 2362.79 42.14 2 5 -7 2271.21 39.93 -2 -5 7 2415.05 39.33 2 5 -6 27.66 3.08 2 5 -6 28.66 2.72 -2 -5 6 29.58 2.44 2 5 -5 2713.81 45.43 -2 -5 5 2702.86 47.97 2 5 -5 2655.04 45.66 -2 -5 5 2753.39 44.24 2 5 -4 659.06 15.12 -2 -5 4 670.52 16.59 -2 -5 4 647.57 13.09 2 5 -4 666.42 15.41 2 5 -4 674.59 16.50 2 5 -3 20.42 2.21 -2 -5 3 16.65 2.22 2 5 -3 15.59 2.18 2 5 -3 18.51 2.23 -2 -5 3 18.82 1.70 2 5 -2 2055.19 33.69 2 5 -2 1956.15 35.48 -2 -5 2 1963.96 33.05 2 5 -2 1990.73 33.57 -2 -5 2 2008.72 34.51 -2 -5 1 2.43 1.07 2 5 -1 1.27 1.68 2 5 -1 3.68 1.14 2 5 -1 2.30 0.79 -2 -5 1 2.91 1.21 2 5 0 3382.97 52.63 -2 -5 0 3392.01 52.92 2 5 0 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11.69 2.20 -11 -4 -13 12.74 4.02 11 4 14 6.52 1.63 -11 -4 -14 11.44 3.77 11 4 15 5.77 1.69 -11 -4 -15 1.48 2.82 11 4 16 46.54 3.85 -11 -4 -16 47.70 6.84 -11 -4 -17 28.41 6.05 -11 -4 -18 6.96 3.74 -11 -4 -19 2.63 3.04 -11 -4 -20 8.25 4.02 -11 -4 -21 89.92 10.36 -11 -4 -22 6.56 3.68 -11 -4 -23 12.04 3.92 -11 -4 -24 11.01 5.00 -11 -4 -25 7.90 4.45 11 5 -13 5.58 4.34 11 5 -12 0.57 3.49 11 5 -11 14.12 4.52 11 5 -10 6.29 4.28 11 5 -9 70.18 8.81 11 5 -8 -1.33 4.14 -11 -5 7 8.23 1.70 11 5 -7 10.46 4.42 -11 -5 7 8.45 1.84 11 5 -6 7.39 4.26 11 5 -5 8.59 4.11 -11 -5 5 9.79 1.79 11 5 -4 12.56 4.43 -11 -5 4 14.39 2.43 11 5 -3 -0.39 1.21 11 5 -3 0.11 3.17 11 5 -2 14.34 2.73 11 5 -2 10.97 3.61 11 5 -1 17.22 2.95 11 5 -1 11.92 3.60 -11 -5 0 158.93 9.28 11 5 0 163.92 9.01 11 5 0 155.95 11.52 -11 -5 -1 284.64 12.84 11 5 1 283.90 12.44 11 5 1 283.26 15.73 -11 -5 -2 14.57 3.02 11 5 2 14.91 4.03 11 5 2 14.79 3.06 -11 -5 -3 89.26 7.61 11 5 3 85.67 6.96 -11 -5 -4 494.44 18.88 11 5 4 548.38 18.93 -11 -5 -5 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40.08 6.24 -11 -8 6 419.12 13.15 11 8 -6 422.93 19.43 11 8 -5 14.47 4.29 11 8 -4 160.41 11.20 -11 -8 4 147.85 8.00 11 8 -3 299.44 15.39 -11 -8 3 297.75 12.12 -11 -8 2 2.78 2.00 11 8 -2 1.02 2.99 11 8 -1 222.28 12.66 -11 -8 1 227.55 11.11 -11 -8 1 251.00 12.57 11 8 0 46.46 5.84 -11 -8 0 38.71 4.70 -11 -8 0 52.94 5.79 11 8 1 79.18 7.52 -11 -8 -1 81.08 7.34 11 8 2 51.04 5.93 -11 -8 -2 57.41 6.31 11 8 3 21.78 3.98 -11 -8 -3 27.39 4.63 11 8 4 89.23 7.23 -11 -8 -4 82.62 7.87 11 8 5 4.79 2.20 -11 -8 -5 4.89 2.96 11 8 6 370.65 14.70 -11 -8 -6 409.57 18.34 11 8 7 118.87 7.94 -11 -8 -7 132.72 10.51 11 8 8 458.84 16.07 -11 -8 -8 474.39 20.49 11 8 9 545.89 17.22 -11 -8 -9 531.35 22.35 11 8 10 16.86 2.97 -11 -8 -10 13.41 4.70 11 8 11 163.38 8.17 -11 -8 -11 179.25 13.03 11 8 11 177.97 6.53 11 8 12 36.77 2.70 -11 -8 -12 38.20 6.45 -11 -8 -13 56.06 8.02 11 8 13 61.44 3.15 -11 -8 -14 435.03 21.38 -11 -8 -15 97.38 10.21 -11 -8 -16 300.38 18.15 -11 -8 -17 7.89 4.91 -11 -8 -18 423.61 22.58 -11 -8 -19 391.15 22.01 -11 -8 -20 38.38 6.85 -11 -8 -21 124.43 12.53 -11 -8 -22 -3.43 3.77 -11 -8 -23 192.90 15.98 -11 -8 -24 0.84 3.31 -11 -8 -25 161.94 14.04 11 9 -12 26.68 5.50 11 9 -11 48.03 6.96 11 9 -10 15.23 4.36 11 9 -9 10.15 4.25 11 9 -8 229.24 14.15 11 9 -7 40.88 6.48 11 9 -6 241.48 13.94 11 9 -5 154.27 11.00 11 9 -4 66.26 7.39 -11 -9 4 69.90 6.15 11 9 -3 236.74 13.22 -11 -9 3 238.72 11.87 11 9 -2 14.13 3.48 -11 -9 2 24.20 3.76 -11 -9 2 11.02 2.93 11 9 -1 247.77 12.84 -11 -9 1 240.92 12.69 11 9 0 15.35 3.89 -11 -9 0 13.69 3.39 11 9 1 216.78 11.55 -11 -9 -1 217.20 12.49 11 9 2 152.28 9.38 -11 -9 -2 145.57 10.39 11 9 3 62.28 5.99 -11 -9 -3 58.65 7.06 11 9 4 389.00 14.83 -11 -9 -4 394.93 17.85 11 9 5 7.01 2.94 -11 -9 -5 6.22 3.43 11 9 6 1068.95 25.93 -11 -9 -6 1037.16 31.95 11 9 7 448.79 14.73 -11 -9 -7 469.65 20.45 11 9 8 126.24 7.05 -11 -9 -8 135.20 10.88 11 9 9 314.38 10.81 -11 -9 -9 314.72 17.09 11 9 10 82.84 5.12 -11 -9 -10 71.03 8.11 11 9 11 443.09 11.93 -11 -9 -11 432.92 20.71 11 9 11 438.60 10.30 11 9 12 5.30 1.04 11 9 12 3.91 1.14 -11 -9 -12 0.64 3.24 11 9 13 152.56 4.92 -11 -9 -13 160.05 12.93 -11 -9 -14 460.45 22.69 -11 -9 -15 152.00 13.06 -11 -9 -16 518.05 24.76 -11 -9 -17 1.64 3.96 -11 -9 -18 269.64 18.28 -11 -9 -19 184.15 15.24 -11 -9 -20 183.21 15.58 -11 -9 -21 196.09 15.91 -11 -9 -22 9.62 5.02 -11 -9 -23 425.56 23.52 -11 -9 -24 39.71 7.59 11 10 -12 20.19 4.93 11 10 -11 104.76 9.64 11 10 -10 42.12 6.50 11 10 -9 17.80 5.09 11 10 -8 98.16 8.97 11 10 -7 55.56 6.92 11 10 -6 104.74 9.00 11 10 -5 47.11 6.22 -11 -10 5 54.16 5.43 11 10 -4 88.07 8.07 -11 -10 4 95.93 7.61 11 10 -3 98.02 8.16 -11 -10 3 89.26 7.44 11 10 -2 9.86 3.35 -11 -10 2 5.08 2.65 11 10 -1 154.52 9.93 -11 -10 1 161.10 10.59 11 10 0 89.63 7.25 -11 -10 0 78.39 7.59 11 10 1 183.86 10.23 -11 -10 -1 171.44 11.39 11 10 2 114.73 7.75 -11 -10 -2 121.15 9.71 -11 -10 -2 115.89 8.99 11 10 3 61.49 5.77 -11 -10 -3 60.39 7.24 -11 -10 -3 75.90 7.24 11 10 4 687.29 19.50 -11 -10 -4 686.01 24.89 -11 -10 -4 656.84 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26.58 3.94 12 9 -4 30.27 5.33 -12 -9 3 8.44 2.52 12 9 -3 12.76 4.26 12 9 -2 91.81 8.53 -12 -9 2 82.76 7.21 -12 -9 1 1.22 1.83 12 9 -1 -2.02 3.22 12 9 0 86.44 7.88 -12 -9 0 85.73 7.76 12 9 1 90.39 7.93 -12 -9 -1 104.30 8.79 12 9 2 59.44 6.46 -12 -9 -2 69.51 7.47 12 9 3 158.15 10.16 -12 -9 -3 151.77 10.93 12 9 4 0.96 2.31 -12 -9 -4 -4.68 3.23 12 9 5 238.74 11.91 -12 -9 -5 223.09 13.78 12 9 6 18.12 3.51 -12 -9 -6 22.56 5.07 12 9 7 376.80 14.46 -12 -9 -7 361.50 18.28 12 9 8 27.81 3.85 -12 -9 -8 17.77 4.52 12 9 9 1.05 1.57 -12 -9 -9 1.05 3.18 12 9 10 174.27 8.60 -12 -9 -10 184.01 13.42 12 9 11 200.96 8.83 -12 -9 -11 202.72 14.42 12 9 12 90.98 5.58 -12 -9 -12 91.21 9.93 12 9 13 174.57 7.26 -12 -9 -13 167.88 13.52 -12 -9 -14 37.75 7.22 -12 -9 -15 208.65 15.53 -12 -9 -16 -0.02 3.78 -12 -9 -17 150.76 13.57 -12 -9 -18 80.00 10.29 -12 -9 -19 44.17 7.69 -12 -9 -20 201.64 16.46 -12 -9 -21 -2.60 3.92 -12 -9 -22 127.79 13.23 -12 -9 -23 1.53 3.73 12 10 -10 24.07 5.44 12 10 -9 80.31 8.40 12 10 -8 41.19 5.98 12 10 -7 295.66 15.70 12 10 -6 39.24 5.85 12 10 -5 40.73 6.14 12 10 -4 46.04 6.38 -12 -10 4 55.45 5.90 12 10 -3 0.30 2.64 -12 -10 3 -2.73 2.69 12 10 -2 167.87 11.22 -12 -10 2 188.17 11.37 12 10 -1 20.19 4.45 -12 -10 1 25.83 4.67 12 10 0 147.02 9.86 -12 -10 0 164.89 11.13 12 10 1 102.45 7.97 -12 -10 -1 86.12 8.28 12 10 2 38.02 5.16 -12 -10 -2 43.14 6.34 12 10 3 191.82 10.57 -12 -10 -3 194.06 13.02 12 10 4 1.89 2.08 -12 -10 -4 -0.56 2.68 12 10 5 347.16 13.70 -12 -10 -5 346.90 17.75 12 10 6 81.25 6.28 -12 -10 -6 70.73 8.04 12 10 7 436.04 14.49 -12 -10 -7 430.19 20.56 12 10 8 148.92 7.59 -12 -10 -8 142.00 11.92 12 10 9 36.88 3.59 -12 -10 -9 37.32 6.16 12 10 10 125.93 6.04 -12 -10 -10 132.17 11.95 12 10 11 17.41 1.97 -12 -10 -11 18.34 5.37 -12 -10 -12 178.14 14.10 -12 -10 -13 110.13 11.22 -12 -10 -14 79.16 9.84 -12 -10 -15 194.58 15.23 -12 -10 -16 -0.79 3.20 -12 -10 -17 236.48 17.57 -12 -10 -18 134.71 13.50 -12 -10 -19 113.94 12.74 -12 -10 -20 125.01 12.93 -12 -10 -21 16.98 5.92 -12 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-16 -4 53.83 8.17 -15 -16 -5 1.51 3.19 -15 -16 -6 39.01 7.30 -15 -16 -7 24.83 6.12 -16 2 -3 -0.67 2.62 -16 2 -4 69.51 8.15 -16 2 -5 -4.17 3.08 -16 1 0 11.00 3.56 -16 1 -1 12.59 4.07 -16 1 -2 116.96 9.92 -16 1 -2 129.06 11.39 -16 1 -3 16.45 4.70 -16 1 -3 21.30 4.64 -16 1 -4 150.06 11.62 -16 1 -5 30.49 5.91 -16 1 -6 150.28 11.92 -16 1 -7 20.27 4.74 -16 1 -8 5.73 3.36 -16 0 1 75.40 8.24 -16 0 0 94.53 9.33 -16 0 -1 10.79 3.20 -16 0 -1 11.99 3.78 -16 0 -2 177.62 11.96 -16 0 -3 37.61 6.27 -16 0 -4 222.63 14.12 -16 0 -5 66.65 7.87 -16 0 -6 185.78 13.03 -16 0 -7 49.65 6.91 -16 0 -8 20.48 4.95 -16 0 -9 192.52 13.75 -16 0 -10 35.14 6.58 -16 -1 1 90.17 8.97 -16 -1 0 102.54 9.65 -16 -1 -1 29.30 5.33 -16 -1 -2 156.41 11.13 -16 -1 -3 6.76 3.37 -16 -1 -4 193.90 12.96 -16 -1 -5 21.04 5.26 -16 -1 -6 200.35 13.54 -16 -1 -7 207.04 14.22 -16 -1 -8 8.59 4.78 -16 -1 -9 218.85 14.77 -16 -1 -10 24.86 5.36 -16 -1 -11 144.79 12.78 -16 -1 -12 150.51 12.93 -16 -2 1 34.04 5.38 -16 -2 -1 39.07 5.53 -16 -2 -2 74.68 7.72 -16 -2 -3 3.00 3.06 -16 -2 -4 214.47 13.44 -16 -2 -5 41.66 6.35 -16 -2 -6 23.30 5.28 -16 -2 -7 55.85 7.38 -16 -2 -8 1.32 2.97 -16 -2 -9 197.39 13.66 -16 -2 -9 228.97 15.36 -16 -2 -10 5.90 3.08 -16 -2 -10 3.57 3.93 -16 -2 -11 16.48 4.65 -16 -2 -12 75.27 8.81 -16 -2 -13 4.60 3.42 -16 -2 -14 137.19 11.96 16 3 0 -6.03 5.00 -16 -3 -1 42.74 5.90 16 3 1 71.66 10.64 -16 -3 -2 52.04 6.60 -16 -3 -3 12.76 4.19 -16 -3 -4 26.31 5.28 -16 -3 -5 -4.60 3.54 -16 -3 -6 4.89 2.56 -16 -3 -7 6.16 3.04 -16 -3 -8 4.46 3.38 -16 -3 -9 43.02 6.65 -16 -3 -10 4.26 3.55 -16 -3 -11 3.06 3.41 -16 -3 -12 0.69 3.08 -16 -3 -13 3.76 2.90 -16 -3 -14 -0.49 3.44 -16 -3 -15 -4.81 4.32 16 4 -1 6.51 5.11 16 4 0 6.16 5.00 -16 -4 -1 -2.88 2.82 16 4 1 12.34 6.00 16 4 2 -7.73 5.69 -16 -4 -2 -0.10 2.66 -16 -4 -3 8.60 2.76 -16 -4 -3 14.91 4.29 -16 -4 -4 2.45 2.59 -16 -4 -5 0.91 2.16 -16 -4 -6 0.35 2.40 -16 -4 -7 -1.65 2.87 -16 -4 -8 8.12 2.99 -16 -4 -9 -1.88 3.32 -16 -4 -10 -4.45 3.83 -16 -4 -11 4.17 2.67 -16 -4 -12 43.81 6.69 -16 -4 -13 4.22 3.61 -16 -4 -14 35.83 6.33 -16 -4 -15 3.12 3.92 16 5 -2 -2.01 4.24 16 5 -1 21.80 6.02 16 5 0 2.64 3.37 16 5 1 3.57 3.60 -16 -5 -1 9.91 3.57 16 5 2 13.71 5.19 16 5 3 -1.71 3.44 -16 -5 -3 -1.69 2.87 16 5 4 19.64 5.92 -16 -5 -4 19.15 4.01 -16 -5 -5 -2.63 2.41 -16 -5 -6 1.59 2.44 -16 -5 -7 6.50 3.53 -16 -5 -8 19.49 4.55 -16 -5 -9 49.78 6.84 -16 -5 -10 24.24 5.41 -16 -5 -11 30.29 6.11 -16 -5 -12 12.23 4.72 -16 -5 -13 15.02 4.91 -16 -5 -14 26.31 5.86 -16 -5 -15 2.93 3.25 -16 -5 -16 7.11 4.42 16 6 -2 -4.42 5.01 16 6 -1 13.42 4.03 16 6 0 24.11 5.72 16 6 1 -7.42 4.96 16 6 2 53.80 8.45 16 6 3 32.53 6.80 -16 -6 -3 15.60 3.82 16 6 4 53.33 8.51 -16 -6 -4 44.75 5.91 16 6 5 27.11 6.57 -16 -6 -5 34.19 5.58 16 6 6 12.22 4.63 -16 -6 -6 4.40 2.63 -16 -6 -7 109.72 10.03 -16 -6 -8 38.02 6.17 -16 -6 -9 6.69 3.49 -16 -6 -10 36.74 6.57 -16 -6 -11 45.01 7.06 -16 -6 -12 4.03 3.21 -16 -6 -13 8.85 4.04 -16 -6 -14 33.02 6.44 -16 -6 -15 1.94 3.41 -16 -6 -16 13.44 4.62 16 7 -2 8.63 3.93 16 7 -1 5.03 3.75 16 7 0 84.19 10.00 16 7 1 4.79 3.74 16 7 2 56.17 8.36 16 7 3 65.31 9.15 -16 -7 -3 64.20 7.02 16 7 4 11.81 4.78 -16 -7 -4 10.94 3.64 -16 -7 -5 104.66 9.33 16 7 5 99.94 10.05 16 7 6 12.90 4.53 -16 -7 -6 7.02 2.76 -16 -7 -7 112.50 10.45 16 7 7 83.54 9.36 16 7 8 60.92 8.31 -16 -7 -8 56.87 7.69 16 7 9 17.91 5.07 -16 -7 -9 5.67 3.82 -16 -7 -10 46.58 7.51 -16 -7 -11 2.18 3.44 -16 -7 -12 49.04 7.62 -16 -7 -13 1.41 3.44 -16 -7 -14 91.57 10.30 -16 -7 -15 83.64 10.15 -16 -7 -16 13.04 4.99 16 8 -3 36.86 6.72 16 8 -2 49.98 7.40 16 8 -1 0.86 3.49 16 8 0 93.08 10.36 16 8 1 31.48 6.64 16 8 2 63.04 8.13 16 8 3 66.70 8.62 -16 -8 -3 74.88 7.66 16 8 4 7.74 3.79 -16 -8 -4 6.17 3.11 16 8 5 84.72 9.01 -16 -8 -5 84.16 8.64 16 8 6 31.49 5.99 -16 -8 -6 36.76 6.27 -16 -8 -7 72.77 8.27 16 8 7 75.67 8.47 -16 -8 -8 35.56 6.37 16 8 8 50.07 7.20 -16 -8 -9 38.13 6.46 16 8 9 49.17 6.72 -16 -8 -10 98.49 10.26 -16 -8 -11 20.96 5.04 -16 -8 -12 245.57 16.81 -16 -8 -13 24.51 6.11 -16 -8 -14 95.78 10.73 -16 -8 -15 152.56 13.59 -16 -8 -16 45.16 7.64 16 9 -3 60.50 8.04 16 9 -2 189.21 13.67 16 9 -1 -1.35 3.41 16 9 0 110.54 10.39 16 9 1 31.95 5.92 16 9 2 88.21 9.06 16 9 3 63.22 8.15 -16 -9 -3 57.63 6.84 16 9 4 5.69 3.59 -16 -9 -4 4.34 2.85 -16 -9 -5 89.25 9.05 16 9 5 101.30 9.36 -16 -9 -6 20.19 5.15 16 9 6 -1.32 3.41 -16 -9 -7 151.85 12.06 16 9 7 166.70 11.65 -16 -9 -8 62.01 7.82 -16 -9 -9 46.88 7.33 -16 -9 -10 119.41 11.31 -16 -9 -11 3.93 3.58 -16 -9 -12 192.44 15.00 -16 -9 -13 76.80 9.67 -16 -9 -14 50.16 8.54 -16 -9 -15 119.85 12.32 16 10 -3 28.53 4.73 16 10 -2 112.39 10.27 16 10 -1 6.00 3.35 16 10 0 50.23 6.81 16 10 1 -1.81 3.25 16 10 2 86.72 8.75 -16 -10 -3 24.70 5.00 16 10 3 19.72 4.56 -16 -10 -4 73.66 8.37 16 10 4 75.42 7.98 -16 -10 -5 89.47 9.29 16 10 5 91.39 8.47 -16 -10 -6 2.42 3.05 -16 -10 -7 145.00 12.06 -16 -10 -8 32.37 6.47 -16 -10 -9 106.43 10.97 -16 -10 -10 70.60 9.31 -16 -10 -11 9.87 4.54 -16 -10 -12 102.24 11.22 -16 -10 -13 69.46 9.47 -16 -10 -14 45.29 7.75 -16 -10 -15 32.78 7.00 16 11 -3 -0.91 2.85 16 11 -2 20.06 5.00 16 11 -1 -0.25 2.88 16 11 0 13.75 3.99 16 11 1 6.79 2.99 16 11 2 72.91 7.67 -16 -11 -4 22.02 4.70 -16 -11 -5 21.99 5.29 -16 -11 -6 16.59 4.29 -16 -11 -7 55.24 7.80 -16 -11 -8 19.84 5.45 -16 -11 -9 50.16 7.57 -16 -11 -10 18.18 5.75 -16 -11 -11 1.85 3.57 -16 -11 -12 -3.94 4.77 -16 -11 -13 16.30 5.27 -16 -11 -14 11.98 4.80 -16 -12 -4 -5.34 3.62 -16 -12 -5 3.15 2.35 -16 -12 -6 0.94 3.05 -16 -12 -7 6.08 3.98 -16 -12 -8 10.05 3.89 -16 -12 -9 10.07 4.40 -16 -12 -10 6.84 3.81 -16 -12 -11 2.35 3.13 -16 -12 -12 9.26 4.02 -16 -12 -13 -0.02 3.20 -16 -13 -4 5.70 2.96 -16 -13 -5 -0.16 3.04 -16 -13 -6 -7.33 4.86 -16 -13 -7 -2.79 4.06 -16 -13 -8 -1.29 4.01 -16 -13 -9 -0.60 4.07 -16 -13 -10 5.82 3.52 -16 -13 -11 5.35 3.62 -16 -14 -5 11.47 4.23 -16 -14 -6 2.11 3.38 -16 -14 -7 26.35 6.53 -16 -14 -8 8.26 4.91 -16 -14 -9 5.01 4.14 -16 -15 -6 -5.51 3.97 -16 -15 -7 15.08 5.47 -17 -1 -4 44.84 6.60 -17 -1 -5 106.41 10.11 -17 -1 -6 6.39 3.75 -17 -1 -7 18.97 5.36 -17 -2 -3 175.47 12.23 -17 -2 -4 43.57 6.39 -17 -2 -5 232.55 14.78 -17 -2 -6 39.42 6.70 -17 -2 -7 54.11 7.70 -17 -2 -8 129.53 11.93 -17 -3 -3 127.26 10.32 -17 -3 -4 48.39 6.81 -17 -3 -5 74.26 8.42 -17 -3 -6 55.33 7.57 -17 -3 -7 79.08 9.06 -17 -3 -8 195.87 14.18 -17 -3 -8 216.51 13.92 -17 -3 -9 10.83 4.31 -17 -3 -9 4.66 3.49 -17 -3 -10 127.83 10.97 -17 -3 -11 58.64 7.55 -17 -3 -12 136.36 11.99 -17 -4 -3 30.91 5.40 17 4 3 39.71 7.71 -17 -4 -4 6.21 3.52 -17 -4 -5 9.35 2.94 -17 -4 -5 8.47 3.02 -17 -4 -6 49.03 6.54 -17 -4 -7 28.38 5.13 -17 -4 -8 84.89 8.79 -17 -4 -9 3.11 3.75 -17 -4 -10 21.01 5.15 -17 -4 -11 15.38 4.73 -17 -4 -12 13.63 4.46 17 5 2 -0.44 3.97 17 5 3 0.72 4.01 -17 -5 -3 -3.52 3.27 17 5 4 7.68 4.14 17 5 5 2.24 3.31 -17 -5 -5 0.29 2.48 -17 -5 -6 34.11 5.29 -17 -5 -7 1.92 3.51 -17 -5 -8 46.40 6.68 -17 -5 -9 -1.75 2.64 -17 -5 -10 16.07 4.43 -17 -5 -11 1.76 3.07 -17 -5 -12 -2.32 4.04 -17 -5 -13 -0.26 3.13 17 6 1 13.02 4.68 17 6 2 -0.42 4.72 17 6 3 -2.26 3.69 17 6 4 -7.96 5.82 17 6 5 -5.77 4.87 -17 -6 -5 0.78 2.76 17 6 6 -2.65 3.43 -17 -6 -6 -7.56 4.07 17 6 7 22.07 5.66 -17 -6 -7 13.65 4.15 -17 -6 -8 8.00 3.04 -17 -6 -9 -2.91 3.27 -17 -6 -10 43.31 6.90 -17 -6 -11 20.46 4.77 -17 -6 -12 -4.96 3.99 -17 -6 -13 20.21 5.34 17 7 1 21.53 4.99 17 7 2 -4.54 4.95 17 7 3 9.11 4.39 17 7 4 15.60 5.34 17 7 5 8.47 5.34 -17 -7 -5 13.79 3.60 17 7 6 42.30 7.26 -17 -7 -6 64.76 7.59 17 7 7 9.55 4.16 -17 -7 -7 4.22 3.24 17 7 8 77.96 9.23 -17 -7 -8 69.34 8.20 17 7 9 46.39 7.00 -17 -7 -9 35.17 6.06 -17 -7 -10 12.60 4.38 -17 -7 -11 26.32 5.64 -17 -7 -12 5.97 3.70 -17 -7 -13 1.93 3.48 17 8 0 0.92 4.01 17 8 1 24.01 5.71 17 8 2 -1.90 4.95 17 8 3 65.42 8.22 17 8 4 1.95 3.44 17 8 5 4.32 3.19 -17 -8 -5 11.28 4.11 -17 -8 -6 120.92 10.42 17 8 6 141.97 11.84 17 8 7 25.24 5.22 -17 -8 -7 20.26 4.82 -17 -8 -8 30.06 5.69 -17 -8 -9 17.36 4.88 -17 -8 -10 21.44 5.48 -17 -8 -11 9.10 4.31 -17 -8 -12 0.79 3.63 -17 -8 -13 24.96 6.01 17 9 0 9.04 4.96 17 9 1 18.87 5.61 17 9 2 32.17 5.95 17 9 3 27.96 5.65 17 9 4 95.39 9.63 17 9 5 2.92 3.09 -17 -9 -5 6.63 3.35 -17 -9 -6 68.87 8.03 -17 -9 -7 35.57 6.15 -17 -9 -8 14.53 4.25 -17 -9 -9 -3.79 3.93 -17 -9 -10 6.02 3.24 -17 -9 -11 6.36 3.17 -17 -9 -12 -1.63 3.84 -17 -9 -13 63.45 8.77 17 10 1 52.29 7.43 17 10 2 69.68 8.20 -17 -10 -5 3.04 2.63 -17 -10 -6 42.14 6.45 -17 -10 -7 3.14 2.84 -17 -10 -8 73.78 8.97 -17 -10 -9 90.63 9.59 -17 -10 -10 26.07 5.76 -17 -10 -11 129.22 12.17 -17 -10 -12 10.47 4.84 -17 -11 -6 75.85 8.66 -17 -11 -7 1.12 3.36 -17 -11 -8 41.10 7.09 -17 -11 -9 130.30 11.95 -17 -11 -10 6.88 2.98 -17 -11 -11 133.67 12.84 -17 -12 -6 17.88 5.06 -17 -12 -7 -4.69 4.08 -17 -12 -8 11.57 4.41 -17 -12 -9 41.70 7.40 -17 -12 -10 -5.88 3.90 -17 -13 -7 4.09 3.57 -17 -13 -8 8.46 4.05 -18 -4 -9 207.80 14.14 -18 -5 -8 -0.02 2.64 -18 -5 -9 27.91 5.57 18 6 5 46.05 7.66 18 6 6 11.57 4.95 18 6 7 16.71 5.42 -18 -6 -8 -4.47 4.05 -18 -6 -9 -7.11 4.10 -18 -6 -10 8.82 3.73 -18 -7 -8 5.59 3.84 -18 -7 -9 -10.39 4.37 -18 -7 -10 0.34 3.28 -18 -8 -8 0.54 2.53 -18 -8 -9 0.30 2.76 -18 -8 -10 -9.30 4.13 -18 -9 -8 -2.65 2.51 -18 -9 -9 5.92 3.41 -18 -10 -9 13.24 5.47 0 0 0 0.00 0.00 TITL 80cmcm20 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 12.804047 14.376372 20.725777 82.0266 72.2712 70.0225 ZERR 3.00 0.000567 0.000538 0.000699 0.0029 0.0034 0.0037 LATT 1 SFAC C H N O P Ga Ag UNIT 150.00 180.00 6.00 3.00 3.00 3.00 3.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 12623 _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 1.489 _oxdiff_exptl_absorpt_empirical_full_min 0.644 _publcif_funding_html ; ; 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 Ag1 Ag 0.16308(2) 0.54653(2) 0.70755(2) 0.02905(5) Uani 1 1 d . . . . . Ga1 Ga 0.35316(2) 0.42519(2) 0.70557(2) 0.01888(6) Uani 1 1 d . . . . . P1 P -0.03283(5) 0.65782(4) 0.71728(3) 0.02450(12) Uani 1 1 d . . . . . O1 O 0.55896(12) 0.36102(10) 0.67526(6) 0.0176(3) Uani 1 1 d . . . . . N1 N 0.40474(14) 0.32265(13) 0.63870(8) 0.0188(3) Uani 1 1 d . . . . . N2 N 0.40521(15) 0.42357(14) 0.78604(8) 0.0220(4) Uani 1 1 d . . . . . C36 C 0.32118(17) 0.31683(16) 0.60807(10) 0.0210(4) Uani 1 1 d . . . . . C13 C 0.60168(17) 0.27868(14) 0.63566(9) 0.0170(4) Uani 1 1 d . . . . . C2 C 0.51791(17) 0.38633(16) 0.78978(10) 0.0206(4) Uani 1 1 d . . . . . C12 C 0.51713(17) 0.26164(15) 0.61405(9) 0.0183(4) Uani 1 1 d . . . . . C7 C 0.79227(17) 0.24341(15) 0.65908(10) 0.0189(4) Uani 1 1 d . . . . . C1 C 0.60239(17) 0.34593(15) 0.73080(9) 0.0179(4) Uani 1 1 d . . . . . C6 C 0.71560(17) 0.29230(15) 0.72651(10) 0.0183(4) Uani 1 1 d . . . . . C8 C 0.71482(17) 0.21942(15) 0.62436(9) 0.0185(4) Uani 1 1 d . . . . . C24 C 0.32296(18) 0.48868(17) 0.83774(10) 0.0237(4) Uani 1 1 d . . . . . C3 C 0.55875(19) 0.38210(17) 0.84588(10) 0.0239(4) Uani 1 1 d . . . . . H3 H 0.507323 0.411157 0.885670 0.029 Uiso 1 1 calc R . . . . C11 C 0.55613(18) 0.18327(16) 0.57048(10) 0.0230(4) Uani 1 1 d . . . . . H11 H 0.504013 0.170543 0.552758 0.028 Uiso 1 1 calc R . . . . C4 C 0.67556(18) 0.33501(16) 0.84348(10) 0.0228(4) Uani 1 1 d . . . . . C37 C 0.31310(19) 0.36813(18) 0.54564(11) 0.0264(5) Uani 1 1 d . . . . . C5 C 0.75178(18) 0.28779(16) 0.78470(10) 0.0218(4) Uani 1 1 d . . . . . H5 H 0.827996 0.252677 0.784084 0.026 Uiso 1 1 calc R . . . . C25 C 0.3199(2) 0.58764(19) 0.83412(11) 0.0298(5) Uani 1 1 d . . . . . C41 C 0.24729(19) 0.26111(17) 0.64000(11) 0.0260(5) Uani 1 1 d . . . . . C10 C 0.67236(18) 0.12353(16) 0.55300(10) 0.0233(4) Uani 1 1 d . . . . . C9 C 0.74981(18) 0.14058(16) 0.58105(10) 0.0224(4) Uani 1 1 d . . . . . H9 H 0.826068 0.099125 0.570981 0.027 Uiso 1 1 calc R . . . . C29 C 0.24287(19) 0.45444(18) 0.88985(10) 0.0286(5) Uani 1 1 d . . . . . C18 C 0.84793(19) 0.31783(18) 0.61331(11) 0.0272(5) Uani 1 1 d . . . . . H18A H 0.788504 0.378350 0.607851 0.041 Uiso 1 1 calc GR . . . . H18B H 0.890950 0.290313 0.569769 0.041 Uiso 1 1 calc GR . . . . H18C H 0.898974 0.331121 0.633825 0.041 Uiso 1 1 calc GR . . . . C56 C -0.1068(2) 0.67579(19) 0.81118(12) 0.0339(5) Uani 1 1 d . . . . . C26 C 0.2344(2) 0.6526(2) 0.88235(12) 0.0359(6) Uani 1 1 d . . . . . H26 H 0.231162 0.718583 0.880091 0.043 Uiso 1 1 calc R . . . . C14 C 0.7140(2) 0.33498(18) 0.90704(11) 0.0289(5) Uani 1 1 d . . . . . C40 C 0.1676(2) 0.25624(19) 0.60853(12) 0.0314(5) Uani 1 1 d . . . . . H40 H 0.118369 0.219350 0.629420 0.038 Uiso 1 1 calc R . . . . C45 C 0.3867(2) 0.4339(2) 0.51079(11) 0.0323(5) Uani 1 1 d . . . . . H45 H 0.445401 0.423111 0.534738 0.039 Uiso 1 1 calc R . . . . C42 C 0.2523(2) 0.2053(2) 0.70735(12) 0.0352(6) Uani 1 1 d . . . . . H42 H 0.314069 0.215639 0.721161 0.042 Uiso 1 1 calc R . . . . C39 C 0.1601(2) 0.3048(2) 0.54710(12) 0.0342(6) Uani 1 1 d . . . . . H39 H 0.107003 0.300010 0.526537 0.041 Uiso 1 1 calc R . . . . C38 C 0.2319(2) 0.3607(2) 0.51641(11) 0.0332(5) Uani 1 1 d . . . . . H38 H 0.225942 0.394215 0.475276 0.040 Uiso 1 1 calc R . . . . C20 C 0.7086(2) 0.04011(19) 0.50394(12) 0.0314(5) Uani 1 1 d . . . . . C19 C 0.88757(19) 0.14935(17) 0.67137(11) 0.0280(5) Uani 1 1 d . . . . . H19A H 0.933173 0.165499 0.694610 0.042 Uiso 1 1 calc GR . . . . H19B H 0.936124 0.121614 0.628688 0.042 Uiso 1 1 calc GR . . . . H19C H 0.853129 0.102029 0.698511 0.042 Uiso 1 1 calc GR . . . . C52 C -0.0294(2) 0.78094(19) 0.67152(14) 0.0380(6) Uani 1 1 d . . . . . C48 C -0.1140(2) 0.60081(18) 0.67992(12) 0.0305(5) Uani 1 1 d . . . . . C59 C -0.0712(3) 0.5752(2) 0.84902(13) 0.0409(6) Uani 1 1 d . . . . . H59A H -0.101207 0.530156 0.835984 0.061 Uiso 1 1 calc GR . . . . H59B H -0.101713 0.583855 0.896999 0.061 Uiso 1 1 calc GR . . . . H59C H 0.011644 0.548726 0.837684 0.061 Uiso 1 1 calc GR . . . . C33 C 0.4072(2) 0.6274(2) 0.78052(13) 0.0381(6) Uani 1 1 d . . . . . H33 H 0.458301 0.573350 0.750409 0.046 Uiso 1 1 calc R . . . . C28 C 0.1599(2) 0.5224(2) 0.93724(11) 0.0350(6) Uani 1 1 d . . . . . H28 H 0.107033 0.500877 0.972363 0.042 Uiso 1 1 calc R . . . . C15 C 0.6582(3) 0.2720(2) 0.96377(12) 0.0458(7) Uani 1 1 d . . . . . H15A H 0.575550 0.298523 0.973153 0.069 Uiso 1 1 calc GR . . . . H15B H 0.680245 0.273016 1.003912 0.069 Uiso 1 1 calc GR . . . . H15C H 0.683700 0.205074 0.949808 0.069 Uiso 1 1 calc GR . . . . C30 C 0.2471(2) 0.3466(2) 0.89611(13) 0.0430(7) Uani 1 1 d . U . . . H30 H 0.282928 0.319259 0.850886 0.052 Uiso 1 1 calc R . . . . C27 C 0.1551(2) 0.6200(2) 0.93299(12) 0.0370(6) Uani 1 1 d . . . . . H27 H 0.098111 0.663944 0.964368 0.044 Uiso 1 1 calc R . . . . C46 C 0.3128(2) 0.5429(2) 0.51641(14) 0.0421(6) Uani 1 1 d . . . . . H46A H 0.248829 0.553793 0.498190 0.063 Uiso 1 1 calc GR . . . . H46B H 0.358814 0.583445 0.491403 0.063 Uiso 1 1 calc GR . . . . H46C H 0.284176 0.559833 0.563185 0.063 Uiso 1 1 calc GR . . . . C21 C 0.8385(2) -0.0148(2) 0.48554(14) 0.0404(6) Uani 1 1 d . . . . . H21A H 0.879849 0.031152 0.465189 0.061 Uiso 1 1 calc GR . . . . H21B H 0.856876 -0.064998 0.454082 0.061 Uiso 1 1 calc GR . . . . H21C H 0.860243 -0.045138 0.525794 0.061 Uiso 1 1 calc GR . . . . C17 C 0.8454(2) 0.2930(2) 0.89376(13) 0.0402(6) Uani 1 1 d . . . . . H17A H 0.871038 0.224537 0.883061 0.060 Uiso 1 1 calc GR . . . . H17B H 0.866039 0.298791 0.933479 0.060 Uiso 1 1 calc GR . . . . H17C H 0.881427 0.329414 0.856393 0.060 Uiso 1 1 calc GR . . . . C23 C 0.6460(3) -0.0360(2) 0.53669(17) 0.0527(8) Uani 1 1 d . . . . . H23A H 0.667350 -0.064257 0.577417 0.079 Uiso 1 1 calc GR . . . . H23B H 0.667699 -0.087491 0.505638 0.079 Uiso 1 1 calc GR . . . . H23C H 0.563946 -0.003882 0.547463 0.079 Uiso 1 1 calc GR . . . . C16 C 0.6744(2) 0.4414(2) 0.93047(13) 0.0388(6) Uani 1 1 d . . . . . H16A H 0.706147 0.481983 0.894391 0.058 Uiso 1 1 calc GR . . . . H16B H 0.700774 0.441382 0.969146 0.058 Uiso 1 1 calc GR . . . . H16C H 0.591503 0.467217 0.942537 0.058 Uiso 1 1 calc GR . . . . C50 C -0.0312(3) 0.5513(2) 0.61385(13) 0.0417(6) Uani 1 1 d . . . . . H50A H -0.010768 0.600942 0.581220 0.063 Uiso 1 1 calc GR . . . . H50B H -0.068597 0.517255 0.596092 0.063 Uiso 1 1 calc GR . . . . H50C H 0.037457 0.504731 0.623100 0.063 Uiso 1 1 calc GR . . . . C54 C -0.1428(3) 0.8676(2) 0.69058(16) 0.0491(7) Uani 1 1 d . . . . . H54A H -0.204364 0.849828 0.683744 0.074 Uiso 1 1 calc GR . . . . H54B H -0.134292 0.925025 0.662566 0.074 Uiso 1 1 calc GR . . . . H54C H -0.160535 0.881838 0.737323 0.074 Uiso 1 1 calc GR . . . . C53 C 0.0071(3) 0.7677(2) 0.59440(14) 0.0474(7) Uani 1 1 d . . . . . H53A H 0.075830 0.711766 0.582504 0.071 Uiso 1 1 calc GR . . . . H53B H 0.021949 0.826235 0.570881 0.071 Uiso 1 1 calc GR . . . . H53C H -0.053950 0.756819 0.581805 0.071 Uiso 1 1 calc GR . . . . C51 C -0.1449(3) 0.5162(2) 0.72729(14) 0.0463(7) Uani 1 1 d . . . . . H51A H -0.076098 0.469778 0.736473 0.069 Uiso 1 1 calc GR . . . . H51B H -0.178556 0.483121 0.705955 0.069 Uiso 1 1 calc GR . . . . H51C H -0.199195 0.542669 0.769038 0.069 Uiso 1 1 calc GR . . . . C58 C -0.0579(3) 0.7425(2) 0.83711(15) 0.0537(8) Uani 1 1 d . . . . . H58A H 0.025025 0.717631 0.823113 0.081 Uiso 1 1 calc GR . . . . H58B H -0.084586 0.742778 0.885698 0.081 Uiso 1 1 calc GR . . . . H58C H -0.083651 0.808693 0.818725 0.081 Uiso 1 1 calc GR . . . . C49 C -0.2253(2) 0.6737(2) 0.66579(13) 0.0403(6) Uani 1 1 d . . . . . H49A H -0.273896 0.708261 0.706175 0.061 Uiso 1 1 calc GR . . . . H49B H -0.265479 0.637885 0.652104 0.061 Uiso 1 1 calc GR . . . . H49C H -0.205895 0.720508 0.630273 0.061 Uiso 1 1 calc GR . . . . C44 C 0.1395(3) 0.2449(2) 0.76222(14) 0.0564(9) Uani 1 1 d . . . . . H44A H 0.123826 0.314295 0.766756 0.085 Uiso 1 1 calc GR . . . . H44B H 0.146102 0.210088 0.804541 0.085 Uiso 1 1 calc GR . . . . H44C H 0.077465 0.235349 0.749955 0.085 Uiso 1 1 calc GR . . . . C47 C 0.4499(3) 0.4079(3) 0.43674(13) 0.0520(8) Uani 1 1 d . . . . . H47A H 0.495191 0.339128 0.434597 0.078 Uiso 1 1 calc GR . . . . H47B H 0.499661 0.447649 0.417616 0.078 Uiso 1 1 calc GR . . . . H47C H 0.394300 0.420757 0.411582 0.078 Uiso 1 1 calc GR . . . . C57 C -0.2392(2) 0.7200(2) 0.83057(14) 0.0505(8) Uani 1 1 d . . . . . H57A H -0.260947 0.783235 0.807354 0.076 Uiso 1 1 calc GR . . . . H57B H -0.268305 0.728290 0.878632 0.076 Uiso 1 1 calc GR . . . . H57C H -0.271249 0.676275 0.817841 0.076 Uiso 1 1 calc GR . . . . C35 C 0.3508(3) 0.7122(2) 0.73722(16) 0.0546(8) Uani 1 1 d . . . . . H35A H 0.307464 0.690463 0.715357 0.082 Uiso 1 1 calc GR . . . . H35B H 0.409399 0.733378 0.703524 0.082 Uiso 1 1 calc GR . . . . H35C H 0.299773 0.766461 0.765395 0.082 Uiso 1 1 calc GR . . . . C43 C 0.2812(3) 0.0941(2) 0.70129(17) 0.0564(8) Uani 1 1 d . . . . . H43A H 0.218699 0.081493 0.691475 0.085 Uiso 1 1 calc GR . . . . H43B H 0.292254 0.060306 0.743205 0.085 Uiso 1 1 calc GR . . . . H43C H 0.350678 0.070487 0.665373 0.085 Uiso 1 1 calc GR . . . . C22 C 0.6760(3) 0.0851(3) 0.43833(14) 0.0530(8) Uani 1 1 d . . . . . H22A H 0.593477 0.113824 0.448118 0.079 Uiso 1 1 calc GR . . . . H22B H 0.702492 0.034254 0.406206 0.079 Uiso 1 1 calc GR . . . . H22C H 0.711522 0.135511 0.419668 0.079 Uiso 1 1 calc GR . . . . C31 C 0.1280(3) 0.3324(3) 0.92308(17) 0.0532(8) Uani 1 1 d . U . . . H31A H 0.095111 0.351179 0.969459 0.080 Uiso 1 1 calc GR . . . . H31B H 0.135770 0.264170 0.920340 0.080 Uiso 1 1 calc GR . . . . H31C H 0.078427 0.373068 0.896380 0.080 Uiso 1 1 calc GR . . . . C34 C 0.4821(3) 0.6575(3) 0.81354(18) 0.0610(9) Uani 1 1 d . . . . . H34A H 0.434313 0.710410 0.843584 0.092 Uiso 1 1 calc GR . . . . H34B H 0.539309 0.679352 0.779012 0.092 Uiso 1 1 calc GR . . . . H34C H 0.519843 0.601739 0.838719 0.092 Uiso 1 1 calc GR . . . . C55 C 0.0684(3) 0.8083(2) 0.6852(2) 0.0624(9) Uani 1 1 d . . . . . H55A H 0.052611 0.814840 0.732957 0.094 Uiso 1 1 calc GR . . . . H55B H 0.072674 0.869984 0.661725 0.094 Uiso 1 1 calc GR . . . . H55C H 0.140704 0.757260 0.669282 0.094 Uiso 1 1 calc GR . . . . C32 C 0.3213(3) 0.2869(3) 0.9420(2) 0.0893(14) Uani 1 1 d . U . . . H32A H 0.399148 0.288262 0.922644 0.134 Uiso 1 1 calc GR . . . . H32B H 0.320998 0.219612 0.946357 0.134 Uiso 1 1 calc GR . . . . H32C H 0.290778 0.315034 0.985853 0.134 Uiso 1 1 calc GR . . . . C206 C 0.1597(7) 0.9496(4) 0.8762(4) 0.182(4) Uani 1 1 d D U . . . H20A H 0.164139 1.014372 0.878319 0.273 Uiso 1 1 calc GR . . . . H20B H 0.197982 0.926320 0.831122 0.273 Uiso 1 1 calc GR . . . . H20C H 0.196662 0.904940 0.907574 0.273 Uiso 1 1 calc GR . . . . C201 C -0.1252(6) 1.0132(2) 0.8566(2) 0.176(4) Uani 1 1 d D U . . . H201 H -0.164195 1.046362 0.824689 0.212 Uiso 1 1 calc R . . . . C200 C -0.1829(4) 0.9734(3) 0.9161(3) 0.180(3) Uani 1 1 d DG U . . . H200 H -0.260519 0.979962 0.924001 0.216 Uiso 1 1 calc R . . . . C205 C -0.1246(5) 0.9239(2) 0.96376(16) 0.164(3) Uani 1 1 d DG U . . . H205 H -0.163181 0.897241 1.003573 0.197 Uiso 1 1 calc R . . . . C204 C -0.0085(5) 0.9141(2) 0.95194(17) 0.144(3) Uani 1 1 d DG U . . . H204 H 0.030483 0.880918 0.983833 0.173 Uiso 1 1 calc R . . . . C203 C 0.0492(4) 0.9539(3) 0.8924(2) 0.151(3) Uani 1 1 d DG U . . . C202 C -0.0091(6) 1.0034(2) 0.84476(15) 0.169(4) Uani 1 1 d DG U . . . H202 H 0.029472 1.030038 0.804949 0.203 Uiso 1 1 calc R . . . . C300 C 0.4713(5) -0.0961(4) 0.9307(3) 0.151(3) Uani 1 1 d D U . . . H30A H 0.398314 -0.058732 0.959291 0.226 Uiso 1 1 calc GR . . . . H30B H 0.529398 -0.112583 0.954453 0.226 Uiso 1 1 calc GR . . . . H30C H 0.465174 -0.155806 0.918742 0.226 Uiso 1 1 calc GR . . . . C301 C 0.5037(2) -0.0365(2) 0.86871(12) 0.0795(11) Uani 1 1 d D U . . . C306 C 0.5072(2) -0.07209(18) 0.80880(16) 0.0835(11) Uani 1 1 d DG U . . . H306 H 0.487658 -0.129027 0.809836 0.100 Uiso 1 1 calc R . . . . C305 C 0.5399(3) -0.0226(2) 0.74734(13) 0.0971(13) Uani 1 1 d DG U . . . H305 H 0.542247 -0.046377 0.707253 0.117 Uiso 1 1 calc R . . . . C304 C 0.5691(3) 0.0625(2) 0.74578(14) 0.1024(14) Uani 1 1 d DG U . . . H304 H 0.591019 0.095650 0.704660 0.123 Uiso 1 1 calc R . . . . C303 C 0.5657(3) 0.09809(19) 0.80569(19) 0.1059(14) Uani 1 1 d DG U . . . H303 H 0.585202 0.155028 0.804651 0.127 Uiso 1 1 calc R . . . . C302 C 0.5329(3) 0.0486(2) 0.86715(14) 0.1066(14) Uani 1 1 d DG U . . . H302 H 0.530612 0.072380 0.907235 0.128 Uiso 1 1 calc R . . . . 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 Ag1 0.02269(9) 0.02813(10) 0.03397(9) -0.00331(7) -0.01355(7) 0.00073(7) Ga1 0.01568(11) 0.02336(12) 0.01774(10) -0.00392(8) -0.00631(9) -0.00368(9) P1 0.0224(3) 0.0211(3) 0.0305(3) -0.0023(2) -0.0135(2) -0.0015(2) O1 0.0150(7) 0.0214(7) 0.0172(6) -0.0051(5) -0.0071(5) -0.0025(6) N1 0.0127(8) 0.0259(9) 0.0191(8) -0.0074(6) -0.0050(6) -0.0048(7) N2 0.0133(8) 0.0345(10) 0.0176(8) -0.0084(7) -0.0040(7) -0.0042(7) C36 0.0138(9) 0.0279(11) 0.0210(9) -0.0092(8) -0.0042(8) -0.0036(8) C13 0.0165(9) 0.0192(10) 0.0152(8) -0.0034(7) -0.0028(7) -0.0058(8) C2 0.0163(9) 0.0265(11) 0.0186(9) -0.0031(8) -0.0050(8) -0.0053(8) C12 0.0153(9) 0.0231(10) 0.0163(8) -0.0018(7) -0.0038(7) -0.0061(8) C7 0.0141(9) 0.0236(10) 0.0202(9) -0.0041(7) -0.0057(8) -0.0052(8) C1 0.0175(9) 0.0235(10) 0.0150(8) -0.0020(7) -0.0067(8) -0.0069(8) C6 0.0151(9) 0.0222(10) 0.0184(9) -0.0024(7) -0.0044(8) -0.0066(8) C8 0.0145(9) 0.0234(10) 0.0180(9) -0.0011(7) -0.0034(8) -0.0072(8) C24 0.0155(10) 0.0386(13) 0.0163(9) -0.0085(8) -0.0069(8) -0.0026(9) C3 0.0202(10) 0.0326(12) 0.0180(9) -0.0047(8) -0.0059(8) -0.0053(9) C11 0.0189(10) 0.0292(12) 0.0234(10) -0.0071(8) -0.0057(8) -0.0087(9) C4 0.0199(10) 0.0308(12) 0.0200(9) -0.0010(8) -0.0087(8) -0.0079(9) C37 0.0197(10) 0.0385(13) 0.0222(10) -0.0047(9) -0.0061(9) -0.0092(10) C5 0.0170(10) 0.0278(11) 0.0223(9) -0.0015(8) -0.0087(8) -0.0063(8) C25 0.0205(11) 0.0407(14) 0.0296(11) -0.0143(10) -0.0063(9) -0.0072(10) C41 0.0202(10) 0.0320(12) 0.0273(10) -0.0093(9) -0.0048(9) -0.0087(9) C10 0.0186(10) 0.0258(11) 0.0250(10) -0.0077(8) -0.0042(8) -0.0054(9) C9 0.0154(9) 0.0250(11) 0.0240(10) -0.0064(8) -0.0031(8) -0.0031(8) C29 0.0208(11) 0.0423(14) 0.0189(9) -0.0048(9) -0.0064(9) -0.0029(10) C18 0.0226(11) 0.0384(13) 0.0242(10) -0.0039(9) -0.0030(9) -0.0161(10) C56 0.0353(13) 0.0368(14) 0.0294(11) -0.0062(10) -0.0159(10) -0.0031(11) C26 0.0265(12) 0.0443(15) 0.0386(13) -0.0217(11) -0.0079(11) -0.0068(11) C14 0.0259(11) 0.0411(14) 0.0223(10) -0.0032(9) -0.0135(9) -0.0073(10) C40 0.0215(11) 0.0420(14) 0.0359(12) -0.0115(10) -0.0051(10) -0.0151(10) C45 0.0281(12) 0.0503(15) 0.0233(10) 0.0031(10) -0.0101(10) -0.0173(11) C42 0.0360(14) 0.0443(15) 0.0338(12) 0.0017(10) -0.0115(11) -0.0229(12) C39 0.0212(11) 0.0519(16) 0.0360(12) -0.0156(11) -0.0130(10) -0.0100(11) C38 0.0257(12) 0.0529(16) 0.0246(11) -0.0049(10) -0.0114(10) -0.0117(11) C20 0.0215(11) 0.0364(13) 0.0359(12) -0.0205(10) -0.0046(10) -0.0044(10) C19 0.0189(10) 0.0315(12) 0.0318(11) -0.0099(9) -0.0103(9) 0.0006(9) C52 0.0390(14) 0.0266(13) 0.0512(15) 0.0058(11) -0.0216(12) -0.0087(11) C48 0.0324(13) 0.0306(13) 0.0323(11) -0.0042(9) -0.0144(10) -0.0088(10) C59 0.0427(15) 0.0470(16) 0.0318(12) 0.0027(11) -0.0166(12) -0.0090(13) C33 0.0306(13) 0.0375(14) 0.0443(14) -0.0143(11) -0.0007(11) -0.0118(11) C28 0.0225(11) 0.0585(17) 0.0192(10) -0.0071(10) -0.0027(9) -0.0074(11) C15 0.0564(18) 0.0632(19) 0.0262(12) 0.0104(12) -0.0214(12) -0.0254(16) C30 0.0354(14) 0.0465(16) 0.0316(12) 0.0037(11) 0.0043(11) -0.0078(12) C27 0.0211(11) 0.0578(17) 0.0302(12) -0.0249(11) -0.0076(10) -0.0007(11) C46 0.0400(15) 0.0486(17) 0.0379(13) 0.0123(12) -0.0150(12) -0.0160(13) C21 0.0268(12) 0.0421(15) 0.0497(15) -0.0279(12) -0.0051(11) -0.0024(11) C17 0.0302(13) 0.0591(18) 0.0348(13) -0.0140(12) -0.0206(11) -0.0035(12) C23 0.0392(16) 0.0434(17) 0.076(2) -0.0327(15) -0.0002(15) -0.0153(13) C16 0.0367(14) 0.0515(17) 0.0333(12) -0.0116(11) -0.0176(11) -0.0094(12) C50 0.0503(17) 0.0375(15) 0.0380(13) -0.0123(11) -0.0169(13) -0.0064(13) C54 0.0599(19) 0.0241(13) 0.0593(18) 0.0004(12) -0.0277(16) 0.0008(13) C53 0.0472(17) 0.0393(16) 0.0478(16) 0.0129(12) -0.0112(14) -0.0112(13) C51 0.0603(19) 0.0445(17) 0.0479(15) -0.0007(12) -0.0204(14) -0.0293(15) C58 0.077(2) 0.0457(17) 0.0517(17) -0.0104(13) -0.0401(17) -0.0131(16) C49 0.0321(13) 0.0543(17) 0.0390(13) -0.0059(12) -0.0177(11) -0.0106(12) C44 0.065(2) 0.060(2) 0.0321(14) -0.0017(13) 0.0032(14) -0.0203(17) C47 0.0465(17) 0.085(2) 0.0286(13) -0.0051(14) -0.0001(12) -0.0334(17) C57 0.0391(16) 0.065(2) 0.0328(13) -0.0112(13) -0.0094(12) 0.0056(14) C35 0.0536(19) 0.062(2) 0.0476(17) -0.0008(15) -0.0111(15) -0.0207(16) C43 0.063(2) 0.0430(17) 0.0561(18) 0.0014(14) -0.0141(16) -0.0116(16) C22 0.0436(17) 0.072(2) 0.0401(15) -0.0318(14) -0.0154(13) 0.0008(15) C31 0.0451(17) 0.0582(19) 0.0595(18) 0.0008(15) -0.0170(15) -0.0192(15) C34 0.0486(19) 0.076(2) 0.076(2) 0.0020(18) -0.0222(17) -0.0393(18) C55 0.068(2) 0.0481(19) 0.091(3) 0.0188(17) -0.039(2) -0.0361(18) C32 0.052(2) 0.074(3) 0.141(4) 0.055(3) -0.045(2) -0.0264(19) C206 0.219(7) 0.067(4) 0.196(7) -0.046(4) 0.048(6) -0.045(5) C201 0.368(11) 0.062(3) 0.092(4) -0.006(3) -0.052(6) -0.067(6) C200 0.350(10) 0.054(3) 0.108(4) -0.027(3) -0.046(5) -0.035(5) C205 0.334(10) 0.068(4) 0.081(4) -0.011(3) -0.033(5) -0.070(6) C204 0.286(8) 0.052(3) 0.070(3) -0.018(2) 0.014(4) -0.074(4) C203 0.254(8) 0.066(3) 0.107(4) -0.042(3) 0.010(4) -0.056(5) C202 0.368(11) 0.050(3) 0.098(4) 0.006(3) -0.088(6) -0.058(5) C300 0.136(5) 0.127(4) 0.108(4) 0.046(3) 0.026(4) -0.014(4) C301 0.069(2) 0.065(2) 0.079(2) 0.0248(17) 0.0000(19) -0.0178(17) C306 0.059(2) 0.074(2) 0.101(2) 0.005(2) -0.017(2) -0.0087(18) C305 0.062(2) 0.101(3) 0.099(2) 0.015(2) -0.023(2) 0.004(2) C304 0.069(2) 0.093(3) 0.111(3) 0.042(2) -0.011(2) -0.013(2) C303 0.092(3) 0.078(2) 0.136(3) 0.022(2) -0.016(3) -0.037(2) C302 0.105(3) 0.085(3) 0.115(3) 0.001(2) -0.021(2) -0.023(2) 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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 '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 P1 Ag1 Ga1 175.004(17) . . ? O1 Ga1 Ag1 156.60(4) . . ? N1 Ga1 Ag1 113.47(5) . . ? N1 Ga1 O1 71.32(6) . . ? N1 Ga1 N2 129.38(7) . . ? N2 Ga1 Ag1 114.45(5) . . ? N2 Ga1 O1 71.40(6) . . ? C56 P1 Ag1 106.81(8) . . ? C52 P1 Ag1 110.30(9) . . ? C52 P1 C56 110.42(12) . . ? C52 P1 C48 109.42(11) . . ? C48 P1 Ag1 110.35(8) . . ? C48 P1 C56 109.51(11) . . ? C13 O1 Ga1 112.30(11) . . ? C1 O1 Ga1 112.44(11) . . ? C1 O1 C13 113.30(15) . . ? C36 N1 Ga1 117.20(13) . . ? C12 N1 Ga1 125.75(13) . . ? C12 N1 C36 116.76(16) . . ? C2 N2 Ga1 125.92(13) . . ? C2 N2 C24 117.33(16) . . ? C24 N2 Ga1 114.74(13) . . ? C37 C36 N1 119.55(18) . . ? C41 C36 N1 120.24(19) . . ? C41 C36 C37 120.22(19) . . ? O1 C13 C12 112.98(17) . . ? C8 C13 O1 121.03(17) . . ? C8 C13 C12 125.87(18) . . ? N2 C2 C1 116.60(18) . . ? N2 C2 C3 127.97(18) . . ? C3 C2 C1 115.41(19) . . ? N1 C12 C13 116.71(17) . . ? N1 C12 C11 127.58(18) . . ? C13 C12 C11 115.71(18) . . ? C6 C7 C18 108.62(17) . . ? C8 C7 C6 108.24(16) . . ? C8 C7 C18 108.98(16) . . ? C19 C7 C6 110.83(16) . . ? C19 C7 C8 110.76(17) . . ? C19 C7 C18 109.35(17) . . ? O1 C1 C2 112.85(17) . . ? C6 C1 O1 121.39(17) . . ? C6 C1 C2 125.69(18) . . ? C1 C6 C7 118.16(17) . . ? C1 C6 C5 116.25(18) . . ? C5 C6 C7 125.59(18) . . ? C13 C8 C7 118.53(17) . . ? C13 C8 C9 116.04(18) . . ? C9 C8 C7 125.43(18) . . ? C25 C24 N2 119.25(19) . . ? C25 C24 C29 120.6(2) . . ? C29 C24 N2 120.1(2) . . ? C2 C3 C4 121.50(19) . . ? C12 C11 C10 121.25(19) . . ? C3 C4 C14 118.31(18) . . ? C5 C4 C3 119.22(19) . . ? C5 C4 C14 122.45(19) . . ? C36 C37 C45 122.28(19) . . ? C38 C37 C36 118.6(2) . . ? C38 C37 C45 119.1(2) . . ? C4 C5 C6 121.29(19) . . ? C24 C25 C33 122.7(2) . . ? C26 C25 C24 119.0(2) . . ? C26 C25 C33 118.3(2) . . ? C36 C41 C42 122.1(2) . . ? C40 C41 C36 118.8(2) . . ? C40 C41 C42 119.1(2) . . ? C11 C10 C20 118.00(19) . . ? C9 C10 C11 119.47(19) . . ? C9 C10 C20 122.52(19) . . ? C10 C9 C8 121.22(19) . . ? C24 C29 C30 121.5(2) . . ? C28 C29 C24 118.0(2) . . ? C28 C29 C30 120.5(2) . . ? C59 C56 P1 108.17(17) . . ? C58 C56 P1 108.82(19) . . ? C58 C56 C59 105.2(2) . . ? C58 C56 C57 108.7(2) . . ? C57 C56 P1 115.65(17) . . ? C57 C56 C59 109.8(2) . . ? C27 C26 C25 120.7(3) . . ? C15 C14 C4 109.0(2) . . ? C15 C14 C16 109.0(2) . . ? C17 C14 C4 112.11(18) . . ? C17 C14 C15 108.8(2) . . ? C17 C14 C16 108.2(2) . . ? C16 C14 C4 109.67(19) . . ? C39 C40 C41 121.5(2) . . ? C37 C45 C46 110.2(2) . . ? C37 C45 C47 112.1(2) . . ? C46 C45 C47 111.1(2) . . ? C41 C42 C44 111.3(2) . . ? C41 C42 C43 111.6(2) . . ? C44 C42 C43 110.3(2) . . ? C40 C39 C38 119.4(2) . . ? C39 C38 C37 121.5(2) . . ? C10 C20 C23 109.59(19) . . ? C10 C20 C22 108.8(2) . . ? C21 C20 C10 112.68(19) . . ? C21 C20 C23 107.6(2) . . ? C21 C20 C22 108.2(2) . . ? C22 C20 C23 110.0(2) . . ? C54 C52 P1 115.65(19) . . ? C54 C52 C53 109.1(2) . . ? C54 C52 C55 109.2(2) . . ? C53 C52 P1 109.05(18) . . ? C53 C52 C55 105.2(2) . . ? C55 C52 P1 108.06(19) . . ? C50 C48 P1 108.18(18) . . ? C51 C48 P1 109.89(17) . . ? C51 C48 C50 105.3(2) . . ? C49 C48 P1 114.83(17) . . ? C49 C48 C50 109.8(2) . . ? C49 C48 C51 108.5(2) . . ? C25 C33 C34 110.3(2) . . ? C35 C33 C25 112.7(2) . . ? C35 C33 C34 111.1(3) . . ? C27 C28 C29 121.6(2) . . ? C29 C30 C31 113.7(2) . . ? C32 C30 C29 110.8(3) . . ? C32 C30 C31 108.4(2) . . ? C28 C27 C26 120.1(2) . . ? C200 C201 C202 120.0 . . ? C201 C200 C205 120.0 . . ? C204 C205 C200 120.0 . . ? C205 C204 C203 120.0 . . ? C206 C203 C204 125.0(5) . . ? C206 C203 C202 115.0(5) . . ? C202 C203 C204 120.0 . . ? C203 C202 C201 120.0 . . ? C306 C301 C300 115.6(4) . . ? C306 C301 C302 120.0 . . ? C302 C301 C300 124.3(4) . . ? C301 C306 C305 120.0 . . ? C304 C305 C306 120.0 . . ? C305 C304 C303 120.0 . . ? C302 C303 C304 120.0 . . ? C303 C302 C301 120.0 . . ? 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 Ag1 Ga1 2.4548(3) . ? Ag1 P1 2.4355(6) . ? Ga1 O1 2.3834(14) . ? Ga1 N1 1.9683(16) . ? Ga1 N2 1.9701(17) . ? P1 C56 1.898(2) . ? P1 C52 1.897(3) . ? P1 C48 1.898(2) . ? O1 C13 1.388(2) . ? O1 C1 1.386(2) . ? N1 C36 1.430(3) . ? N1 C12 1.384(3) . ? N2 C2 1.380(3) . ? N2 C24 1.432(3) . ? C36 C37 1.412(3) . ? C36 C41 1.402(3) . ? C13 C12 1.393(3) . ? C13 C8 1.373(3) . ? C2 C1 1.401(3) . ? C2 C3 1.399(3) . ? C12 C11 1.399(3) . ? C7 C6 1.541(3) . ? C7 C8 1.535(3) . ? C7 C18 1.543(3) . ? C7 C19 1.532(3) . ? C1 C6 1.371(3) . ? C6 C5 1.404(3) . ? C8 C9 1.408(3) . ? C24 C25 1.402(3) . ? C24 C29 1.408(3) . ? C3 C4 1.403(3) . ? C11 C10 1.403(3) . ? C4 C5 1.396(3) . ? C4 C14 1.540(3) . ? C37 C45 1.520(3) . ? C37 C38 1.391(3) . ? C25 C26 1.402(3) . ? C25 C33 1.521(3) . ? C41 C40 1.392(3) . ? C41 C42 1.518(3) . ? C10 C9 1.392(3) . ? C10 C20 1.536(3) . ? C29 C28 1.403(3) . ? C29 C30 1.522(4) . ? C56 C59 1.539(4) . ? C56 C58 1.535(4) . ? C56 C57 1.537(4) . ? C26 C27 1.376(4) . ? C14 C15 1.532(3) . ? C14 C17 1.530(3) . ? C14 C16 1.536(4) . ? C40 C39 1.379(4) . ? C45 C46 1.528(4) . ? C45 C47 1.532(3) . ? C42 C44 1.523(4) . ? C42 C43 1.527(4) . ? C39 C38 1.380(4) . ? C20 C21 1.528(3) . ? C20 C23 1.537(4) . ? C20 C22 1.536(4) . ? C52 C54 1.539(4) . ? C52 C53 1.542(4) . ? C52 C55 1.544(4) . ? C48 C50 1.542(3) . ? C48 C51 1.537(4) . ? C48 C49 1.537(4) . ? C33 C35 1.517(4) . ? C33 C34 1.531(4) . ? C28 C27 1.374(4) . ? C30 C31 1.530(4) . ? C30 C32 1.520(5) . ? C206 C203 1.333(8) . ? C201 C200 1.3900 . ? C201 C202 1.3900 . ? C200 C205 1.3900 . ? C205 C204 1.3900 . ? C204 C203 1.3900 . ? C203 C202 1.3900 . ? C300 C301 1.473(5) . ? C301 C306 1.3900 . ? C301 C302 1.3900 . ? C306 C305 1.3900 . ? C305 C304 1.3900 . ? C304 C303 1.3900 . ? C303 C302 1.3900 . ? loop_ _publcif_info_exptl_table_extra_item sin_theta_over_lambda_max loop_ _publcif_info_exptl_table_header_item ?