#------------------------------------------------------------------------------ #$Date: 2021-09-04 04:10:09 +0300 (Sat, 04 Sep 2021) $ #$Revision: 268459 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/45/1564536.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_1564536 loop_ _publ_author_name 'Fernando, Nathalie K.' 'Cairns, Andrew B.' 'Murray, Claire A.' 'Thompson, Amber L.' 'Dickerson, Joshua L.' 'Garman, Elspeth F.' 'Ahmed, Nayera' 'Ratcliff, Laura E.' 'Regoutz, Anna' _publ_section_title ; Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]2 Catalysts. ; _journal_issue 34 _journal_name_full 'The journal of physical chemistry. A' _journal_page_first 7473 _journal_page_last 7488 _journal_paper_doi 10.1021/acs.jpca.1c05759 _journal_volume 125 _journal_year 2021 _chemical_formula_moiety 'C16 H24 Cl2 Rh2' _chemical_formula_sum 'C16 H24 Cl2 Rh2' _chemical_formula_weight 493.08 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_Int_Tables_number 14 _atom_sites_solution_primary iterative _audit_creation_date 2021-08-18 _audit_creation_method ; Olex2 1.3-ac4 (compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739) ; _audit_update_record ; 2021-06-28 # Formatted by publCIF ; _cell_angle_alpha 90 _cell_angle_beta 91.8695(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.29534(6) _cell_length_b 25.43886(17) _cell_length_c 9.04309(6) _cell_measurement_reflns_used 5016 _cell_measurement_temperature 300.0(1) _cell_measurement_theta_max 24.9050 _cell_measurement_theta_min 2.3190 _cell_volume 1677.37(2) _computing_cell_refinement 'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _computing_structure_solution 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_temperature 300.0(1) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.8140 _diffrn_measured_fraction_theta_full 0.8075 _diffrn_measured_fraction_theta_max 0.8075 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \f 0.00 300.00 0.20 0.20 0.00 0.00 0.00 -- 1500 ; _diffrn_measurement_device 'abstract diffractometer' _diffrn_measurement_device_type 'dectris-CrysAlisPro-abstract goniometer imported dectris images' _diffrn_measurement_method '\f scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0435774000 _diffrn_orient_matrix_UB_12 0.0232047000 _diffrn_orient_matrix_UB_13 -0.0164698000 _diffrn_orient_matrix_UB_21 -0.0051182000 _diffrn_orient_matrix_UB_22 0.0077789000 _diffrn_orient_matrix_UB_23 0.0726917000 _diffrn_orient_matrix_UB_31 0.0836708000 _diffrn_orient_matrix_UB_32 -0.0116156000 _diffrn_orient_matrix_UB_33 0.0158206000 _diffrn_radiation_monochromator synchrotron _diffrn_radiation_probe x-ray _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.6889 _diffrn_reflns_av_R_equivalents 0.0472 _diffrn_reflns_av_unetI/netI 0.0358 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 11715 _diffrn_reflns_theta_full 25.1090 _diffrn_reflns_theta_max 25.11 _diffrn_reflns_theta_min 2.32 _diffrn_source synchrotron _exptl_absorpt_coefficient_mu 2.103 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.58347 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_density_diffrn 1.9524 _exptl_crystal_description 'colourless block' _exptl_crystal_F_000 967.6622 _refine_diff_density_max 1.3768 _refine_diff_density_min -1.3337 _refine_diff_density_rms 0.1510 _refine_ls_d_res_high 0.8117 _refine_ls_d_res_low 8.5167 _refine_ls_goodness_of_fit_ref 1.1737 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 40 _refine_ls_number_parameters 181 _refine_ls_number_reflns 2651 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.1737 _refine_ls_R_factor_all 0.0486 _refine_ls_R_factor_gt 0.0457 _refine_ls_shift/su_max 0.0001 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1435 _refine_ls_wR_factor_ref 0.1487 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 6 _reflns_limit_h_min -8 _reflns_limit_k_max 29 _reflns_limit_k_min 0 _reflns_limit_l_max 11 _reflns_limit_l_min -6 _reflns_number_gt 2368 _reflns_number_total 2651 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL CELL 0.6889 7.295336 25.438861 9.043089 90 91.8695 90 ZERR 4 0.000058 0.000168 0.000059 0 0.0006 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H Cl Rh DISP C 0.0032 0.0015 10.8482 DISP Cl 0.1418 0.1507 623.9827 DISP H -0 0 0.6228 DISP Rh -1.2043 0.889 3690.2171 UNIT 64 96 8 8 L.S. 4 PLAN 20 FMAP 2 ACTA WGHT 0.1 FVAR 1.834199 REM REM REM Rh1 4 0.13478 0.58628 0.64185 11.00000 0.04347 0.04398 0.04564 = 0.00343 -0.00291 0.00030 Rh2 4 -0.06565 0.67532 0.38825 11.00000 0.04170 0.04528 0.04096 = 0.00311 -0.00108 0.00111 Cl1 3 -0.13873 0.63952 0.62679 11.00000 0.04953 0.07054 0.05442 = 0.01687 0.00547 0.01129 Cl2 3 0.22385 0.63167 0.42339 11.00000 0.04581 0.07526 0.06269 = 0.02292 0.00609 0.00780 C3 1 0.32174 0.52460 0.60869 11.00000 0.06159 0.05162 0.08212 = -0.00662 0.00311 0.01652 AFIX 13 H3 2 0.36521 0.52254 0.50745 11.00000 -1.20000 AFIX 0 C4 1 -0.28192 0.72982 0.38986 11.00000 0.05508 0.07193 0.05730 = 0.00054 0.01316 0.00540 AFIX 13 H4 2 -0.33245 0.73514 0.48782 11.00000 -1.20000 AFIX 0 C5 1 0.03689 0.72878 0.23448 11.00000 0.05462 0.06356 0.05895 = 0.01011 0.01384 -0.00087 AFIX 13 H5 2 0.17101 0.73128 0.23769 11.00000 -1.20000 AFIX 0 C6 1 -0.02883 0.68488 0.16180 11.00000 0.06354 0.08453 0.04135 = -0.00179 -0.00001 0.00863 AFIX 13 H6 2 0.06710 0.66242 0.12226 11.00000 -1.20000 AFIX 0 C7 1 0.40619 0.56294 0.69289 11.00000 0.04988 0.07768 0.07267 = 0.01581 0.00463 0.00884 AFIX 13 H7 2 0.49832 0.58297 0.64006 11.00000 -1.20000 AFIX 0 C8 1 -0.34004 0.68491 0.32227 11.00000 0.04622 0.07177 0.06629 = 0.00397 -0.00546 0.00104 AFIX 13 H8 2 -0.42476 0.66432 0.38105 11.00000 -1.20000 AFIX 0 C9 1 0.10164 0.56822 0.86570 11.00000 0.08236 0.06443 0.04662 = 0.01205 0.00768 0.02012 AFIX 13 H9 2 0.01549 0.59153 0.91462 11.00000 -1.20000 AFIX 0 C10 1 0.01711 0.53007 0.77999 11.00000 0.06035 0.05691 0.07195 = 0.01588 0.00682 -0.00788 AFIX 13 H10 2 -0.11715 0.53126 0.78009 11.00000 -1.20000 AFIX 0 C11 1 0.28120 0.56170 0.95001 11.00000 0.08740 0.10376 0.06924 = 0.01271 -0.03128 0.01740 AFIX 23 H11a 2 0.29533 0.59058 1.01948 11.00000 -1.20000 H11b 2 0.27643 0.52946 1.00705 11.00000 -1.20000 AFIX 0 C12 1 -0.20601 0.68487 0.06973 11.00000 0.09417 0.16688 0.05492 = -0.01489 -0.02412 0.01663 AFIX 23 H12a 2 -0.21510 0.71765 0.01516 11.00000 -1.20000 H12b 2 -0.20197 0.65650 -0.00174 11.00000 -1.20000 AFIX 0 C13 1 0.44408 0.55993 0.85835 11.00000 0.06800 0.12305 0.08951 = 0.00709 -0.03181 0.00018 AFIX 23 H13a 2 0.50992 0.52756 0.88002 11.00000 -1.20000 H13b 2 0.52415 0.58887 0.88715 11.00000 -1.20000 AFIX 0 C14 1 -0.05737 0.78115 0.24021 11.00000 0.09086 0.06038 0.09412 = 0.02825 0.01221 0.01634 AFIX 23 H14a 2 0.02318 0.80584 0.29193 11.00000 -1.20000 H14b 2 -0.07720 0.79396 0.13993 11.00000 -1.20000 AFIX 0 C16 1 -0.23289 0.78019 0.31287 11.00000 0.08902 0.06217 0.09204 = 0.01848 0.01156 0.01326 AFIX 23 H16a 2 -0.32879 0.78786 0.23921 11.00000 -1.20000 H16b 2 -0.23301 0.80836 0.38516 11.00000 -1.20000 AFIX 0 C17 1 -0.37197 0.67865 0.15788 11.00000 0.06786 0.13819 0.08253 = 0.00062 -0.03410 -0.01183 AFIX 23 H17a 2 -0.42332 0.64405 0.13871 11.00000 -1.20000 H17b 2 -0.46228 0.70436 0.12436 11.00000 -1.20000 AFIX 0 C18 1 0.25253 0.47302 0.66720 11.00000 0.11687 0.05539 0.16915 = 0.01017 0.04008 0.00440 AFIX 23 H18a 2 0.22317 0.45031 0.58357 11.00000 -1.20000 H18b 2 0.35149 0.45647 0.72431 11.00000 -1.20000 AFIX 0 C19 1 0.09469 0.47567 0.75796 11.00000 0.14238 0.05219 0.11189 = 0.00849 0.02212 -0.00670 AFIX 23 H19a 2 0.12746 0.46101 0.85425 11.00000 -1.20000 H19b 2 -0.00084 0.45365 0.71380 11.00000 -1.20000 AFIX 0 HKLF 4 END Q1 1 -0.083333 0.675 0.388889 11 0.05 1.38 Q2 1 0.125 0.5875 0.648148 11 0.05 1.06 Q3 1 0 0.7125 0.314815 11 0.05 0.86 Q4 1 0.208333 0.5625 0.555556 11 0.05 0.76 Q5 1 0 0.65 0.314815 11 0.05 0.74 Q6 1 -0.166667 0.7 0.481481 11 0.05 0.69 REM The information below was added by Olex2. REM REM R1 = 0.0457 for 2368 Fo > 4sig(Fo) and 0.0486 for all 2651 data REM 181 parameters refined using 0 restraints REM Highest difference peak 1.3768, deepest hole -1.3337 REM Mean Shift 0.0000, Max Shift 0.0001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0486 REM R1_gt = 0.0457 REM wR_ref = 0.1487 REM GOOF = 1.1737 REM Shift_max = 0.0001 REM Shift_mean = 0.0000 REM Reflections_all = 2651 REM Reflections_gt = 2368 REM Parameters = 181 REM Hole = -1.3337 REM Peak = 1.3768 REM Flack = n/a ; _cod_data_source_file jp1c05759_si_003.cif _cod_data_source_block 024nkf19_01_ _cod_database_code 1564536 _chemical_oxdiff_formula 'Rh2 Cl2 C16 H24' _reflns_odcompleteness_completeness 78.93 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 25.33 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2.a Ternary CH refined with riding coordinates: C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10) 2.b Secondary CH2 refined with riding coordinates: C11(H11a,H11b), C12(H12a,H12b), C13(H13a,H13b), C14(H14a,H14b), C16(H16a, H16b), C17(H17a,H17b), C18(H18a,H18b), C19(H19a,H19b) ; _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 1.418 _oxdiff_exptl_absorpt_empirical_full_min 0.703 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x+1/2,y+1/2,-z+1/2 3 -x,-y,-z 4 x-1/2,-y-1/2,z-1/2 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_refinement_flags_posn Rh1 Rh 0.13478(6) 0.586276(17) 0.64185(5) 0.0445(2) Uani 1.000000 . Rh2 Rh -0.06565(6) 0.675323(17) 0.38825(4) 0.0427(2) Uani 1.000000 . Cl1 Cl -0.1387(2) 0.63952(6) 0.62679(16) 0.0581(4) Uani 1.000000 . Cl2 Cl 0.22385(19) 0.63167(7) 0.42339(17) 0.0612(5) Uani 1.000000 . C3 C 0.3217(9) 0.5246(3) 0.6087(9) 0.0651(17) Uani 1.000000 . C4 C -0.2819(9) 0.7298(3) 0.3899(7) 0.0612(17) Uani 1.000000 . C5 C 0.0369(9) 0.7288(3) 0.2345(7) 0.0588(16) Uani 1.000000 . C6 C -0.0288(10) 0.6849(3) 0.1618(7) 0.0632(18) Uani 1.000000 . C7 C 0.4062(9) 0.5629(3) 0.6929(8) 0.0667(18) Uani 1.000000 . C8 C -0.3400(9) 0.6849(3) 0.3223(8) 0.0616(17) Uani 1.000000 . C9 C 0.1016(10) 0.5682(3) 0.8657(7) 0.0643(18) Uani 1.000000 . C10 C 0.0171(9) 0.5301(3) 0.7800(8) 0.0630(17) Uani 1.000000 . C11 C 0.2812(11) 0.5617(4) 0.9500(9) 0.088(2) Uani 1.000000 . C12 C -0.2060(13) 0.6849(5) 0.0697(9) 0.106(3) Uani 1.000000 . C13 C 0.4441(11) 0.5599(5) 0.8584(10) 0.094(3) Uani 1.000000 . C14 C -0.0574(11) 0.7811(3) 0.2402(9) 0.082(2) Uani 1.000000 . C16 C -0.2329(11) 0.7802(3) 0.3129(9) 0.081(2) Uani 1.000000 . C17 C -0.3720(11) 0.6786(4) 0.1579(9) 0.097(3) Uani 1.000000 . C18 C 0.2525(15) 0.4730(3) 0.6672(14) 0.113(4) Uani 1.000000 . C19 C 0.0947(14) 0.4757(3) 0.7580(11) 0.102(3) Uani 1.000000 . H3 H 0.3652(9) 0.5225(3) 0.5075(9) 0.078(2) Uiso 1.000000 R H4 H -0.3325(9) 0.7351(3) 0.4878(7) 0.073(2) Uiso 1.000000 R H5 H 0.1710(9) 0.7313(3) 0.2377(7) 0.0705(19) Uiso 1.000000 R H6 H 0.0671(10) 0.6624(3) 0.1223(7) 0.076(2) Uiso 1.000000 R H7 H 0.4983(9) 0.5830(3) 0.6401(8) 0.080(2) Uiso 1.000000 R H8 H -0.4248(9) 0.6643(3) 0.3810(8) 0.074(2) Uiso 1.000000 R H9 H 0.0155(10) 0.5915(3) 0.9146(7) 0.077(2) Uiso 1.000000 R H10 H -0.1172(9) 0.5313(3) 0.7801(8) 0.076(2) Uiso 1.000000 R H11a H 0.2953(11) 0.5906(4) 1.0195(9) 0.105(3) Uiso 1.000000 R H11b H 0.2764(11) 0.5295(4) 1.0071(9) 0.105(3) Uiso 1.000000 R H12a H -0.2151(13) 0.7176(5) 0.0152(9) 0.127(4) Uiso 1.000000 R H12b H -0.2020(13) 0.6565(5) -0.0017(9) 0.127(4) Uiso 1.000000 R H13a H 0.5099(11) 0.5276(5) 0.8800(10) 0.113(3) Uiso 1.000000 R H13b H 0.5241(11) 0.5889(5) 0.8872(10) 0.113(3) Uiso 1.000000 R H14a H 0.0232(11) 0.8058(3) 0.2919(9) 0.098(3) Uiso 1.000000 R H14b H -0.0772(11) 0.7940(3) 0.1399(9) 0.098(3) Uiso 1.000000 R H16a H -0.3288(11) 0.7879(3) 0.2392(9) 0.097(3) Uiso 1.000000 R H16b H -0.2330(11) 0.8084(3) 0.3852(9) 0.097(3) Uiso 1.000000 R H17a H -0.4233(11) 0.6440(4) 0.1387(9) 0.116(4) Uiso 1.000000 R H17b H -0.4623(11) 0.7044(4) 0.1244(9) 0.116(4) Uiso 1.000000 R H18a H 0.2232(15) 0.4503(3) 0.5836(14) 0.136(4) Uiso 1.000000 R H18b H 0.3515(15) 0.4565(3) 0.7243(14) 0.136(4) Uiso 1.000000 R H19a H 0.1275(14) 0.4610(3) 0.8543(11) 0.122(4) Uiso 1.000000 R H19b H -0.0008(14) 0.4536(3) 0.7138(11) 0.122(4) Uiso 1.000000 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_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rh1 0.0435(4) 0.0440(4) 0.0456(3) 0.00030(19) -0.0029(2) 0.00343(18) Rh2 0.0417(4) 0.0453(4) 0.0410(3) 0.00111(18) -0.0011(2) 0.00311(17) Cl1 0.0495(8) 0.0705(10) 0.0544(8) 0.0113(7) 0.0055(7) 0.0169(7) Cl2 0.0458(8) 0.0753(11) 0.0627(9) 0.0078(7) 0.0061(7) 0.0229(8) C3 0.062(4) 0.052(4) 0.082(5) 0.017(3) 0.003(3) -0.007(3) C4 0.055(4) 0.072(4) 0.057(4) 0.005(3) 0.013(3) 0.001(3) C5 0.055(4) 0.064(4) 0.059(4) -0.001(3) 0.014(3) 0.010(3) C6 0.064(4) 0.085(5) 0.041(3) 0.009(4) -0.000(3) -0.002(3) C7 0.050(4) 0.078(5) 0.073(4) 0.009(3) 0.005(3) 0.016(4) C8 0.046(3) 0.072(4) 0.066(4) 0.001(3) -0.005(3) 0.004(3) C9 0.082(5) 0.064(4) 0.047(3) 0.020(4) 0.008(3) 0.012(3) C10 0.060(4) 0.057(4) 0.072(4) -0.008(3) 0.007(3) 0.016(3) C11 0.087(5) 0.104(6) 0.069(5) 0.017(5) -0.031(4) 0.013(5) C12 0.094(7) 0.167(10) 0.055(5) 0.017(6) -0.024(4) -0.015(5) C13 0.068(5) 0.123(8) 0.090(6) 0.000(5) -0.032(4) 0.007(5) C14 0.091(6) 0.060(4) 0.094(5) 0.016(4) 0.012(4) 0.028(4) C16 0.089(6) 0.062(4) 0.092(5) 0.013(4) 0.012(4) 0.018(4) C17 0.068(5) 0.138(9) 0.083(6) -0.012(5) -0.034(5) 0.001(5) C18 0.117(8) 0.055(5) 0.169(10) 0.004(5) 0.040(7) 0.010(6) C19 0.142(9) 0.052(5) 0.112(7) -0.007(5) 0.022(6) 0.008(5) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source H -0.00003 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.0030380000826 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom C 0.00317 0.00150 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.215599998832 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom Rh -1.20435 0.88897 19.29570 14.35010 4.73425 1.28918 0.75154 8.21758 25.87490 98.60620 5.32800006866 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom Cl 0.14177 0.15073 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940 47.77840 -9.55739974976 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom 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 Cl2 Rh1 Cl1 85.92(5) . . ? C3 Rh1 Cl1 161.5(2) . . ? C3 Rh1 Cl2 92.7(2) . . ? C7 Rh1 Cl1 160.4(2) . . ? C7 Rh1 Cl2 92.19(19) . . ? C7 Rh1 C3 38.0(3) . . ? C9 Rh1 Cl1 93.23(19) . . ? C9 Rh1 Cl2 160.8(2) . . ? C9 Rh1 C3 94.0(3) . . ? C9 Rh1 C7 82.2(3) . . ? C10 Rh1 Cl1 93.58(19) . . ? C10 Rh1 Cl2 161.0(2) . . ? C10 Rh1 C3 81.8(3) . . ? C10 Rh1 C7 94.4(3) . . ? C10 Rh1 C9 38.3(3) . . ? Cl2 Rh2 Cl1 85.76(5) . . ? C4 Rh2 Cl1 93.15(17) . . ? C4 Rh2 Cl2 164.39(19) . . ? C5 Rh2 Cl1 158.23(19) . . ? C5 Rh2 Cl2 93.23(18) . . ? C5 Rh2 C4 82.0(2) . . ? C6 Rh2 Cl1 163.4(2) . . ? C6 Rh2 Cl2 92.5(2) . . ? C6 Rh2 C4 92.9(3) . . ? C6 Rh2 C5 38.3(3) . . ? C8 Rh2 Cl1 93.55(19) . . ? C8 Rh2 Cl2 157.7(2) . . ? C8 Rh2 C4 37.8(2) . . ? C8 Rh2 C5 95.4(3) . . ? C8 Rh2 C6 81.9(3) . . ? Rh2 Cl1 Rh1 93.20(5) . . ? Rh2 Cl2 Rh1 94.08(5) . . ? C7 C3 Rh1 70.9(4) . . ? C18 C3 Rh1 111.9(5) . . ? C18 C3 C7 125.0(8) . . ? C8 C4 Rh2 70.4(4) . . ? C16 C4 Rh2 111.6(4) . . ? C16 C4 C8 125.7(6) . . ? C6 C5 Rh2 70.4(4) . . ? C14 C5 Rh2 112.2(4) . . ? C14 C5 C6 125.8(7) . . ? C5 C6 Rh2 71.3(4) . . ? C12 C6 Rh2 113.8(5) . . ? C12 C6 C5 122.8(7) . . ? C3 C7 Rh1 71.1(4) . . ? C13 C7 Rh1 111.8(5) . . ? C13 C7 C3 125.2(7) . . ? C4 C8 Rh2 71.7(4) . . ? C17 C8 Rh2 112.7(5) . . ? C17 C8 C4 124.7(7) . . ? C10 C9 Rh1 71.0(4) . . ? C11 C9 Rh1 112.8(5) . . ? C11 C9 C10 125.1(7) . . ? C9 C10 Rh1 70.8(4) . . ? C19 C10 Rh1 112.5(5) . . ? C19 C10 C9 123.9(7) . . ? C13 C11 C9 115.1(6) . . ? C17 C12 C6 113.7(7) . . ? C11 C13 C7 115.5(6) . . ? C16 C14 C5 114.3(6) . . ? C14 C16 C4 116.6(6) . . ? C12 C17 C8 114.7(7) . . ? C19 C18 C3 116.3(8) . . ? C18 C19 C10 115.4(7) . . ? 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 Rh1 Cl1 2.4117(15) . ? Rh1 Cl2 2.3963(15) . ? Rh1 C3 2.107(6) . ? Rh1 C7 2.104(6) . ? Rh1 C9 2.097(6) . ? Rh1 C10 2.100(6) . ? Rh2 Cl1 2.4171(14) . ? Rh2 Cl2 2.3981(15) . ? Rh2 C4 2.101(7) . ? Rh2 C5 2.100(6) . ? Rh2 C6 2.088(6) . ? Rh2 C8 2.084(7) . ? C3 C7 1.371(11) . ? C3 C18 1.508(10) . ? C4 C8 1.357(9) . ? C4 C16 1.507(9) . ? C5 C6 1.374(9) . ? C5 C14 1.501(9) . ? C6 C12 1.515(11) . ? C7 C13 1.515(11) . ? C8 C17 1.506(10) . ? C9 C10 1.376(10) . ? C9 C11 1.503(10) . ? C10 C19 1.511(10) . ? C11 C13 1.472(11) . ? C12 C17 1.480(11) . ? C14 C16 1.458(9) . ? C18 C19 1.437(11) . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_scale_group_code 0 0 1 12.5845 10.3491 1 0 0 -1 5.12549 8.40864 1 0 0 1 7.47141 7.56691 1 0 0 2 22935.3 1016.56 1 0 0 -2 22653.1 1014.78 1 0 0 2 21832.4 1008.06 1 0 0 -2 23309.7 1015.45 1 0 0 -3 15.4773 19.1773 1 0 0 3 7.73778 19.1752 1 0 0 -3 -7.5107 30.865 1 0 0 3 -7.30831 23.9583 1 0 0 -4 279479 11291.9 1 0 0 4 257238 11283.6 1 0 0 4 282101 11276.3 1 0 0 -4 274319 11283.2 1 0 0 -5 -13.4448 40.8073 1 0 0 5 -13.3169 36.8977 1 0 0 -5 -25.7477 35.6704 1 0 0 5 12.1087 42.4375 1 0 0 -6 389.361 110.985 1 0 0 6 355.239 101.008 1 0 0 -6 215.708 79.9461 1 0 0 6 414.006 104.086 1 0 0 -7 -58.5588 72.5793 1 0 0 7 -39.5573 77.5177 1 0 0 7 -16.3219 53.5368 1 0 0 -7 -73.0224 64.0029 1 0 0 8 16755.9 1083.79 1 0 0 8 18876.1 1044.51 1 0 0 -9 -26.6789 46.7556 1 0 0 9 28.943 71.7277 1 0 0 9 -20.1182 43.1829 1 0 0 -9 -46.5312 57.6597 1 0 0 10 33.1558 58.1254 1 0 0 -10 50.0937 62.094 1 0 1 1 105781 4059.19 1 0 -1 -1 111371 4057.76 1 0 1 -1 112481 4058.02 1 0 -1 1 113166 4057.47 1 0 1 1 105286 4063.34 1 0 -1 -1 110241 4064.47 1 0 1 2 11128.9 531.702 1 0 -1 2 11991.6 545.311 1 0 -1 -2 10816.2 531.398 1 0 1 -2 10687.9 534.442 1 0 -1 2 11045.4 532.821 1 0 1 -2 10493.9 528.522 1 0 -1 -2 10967.8 538.728 1 0 1 2 10507.2 531.234 1 0 1 3 79380.5 3216.04 1 0 -1 3 78082.3 3223.4 1 0 1 -3 76201 3220.01 1 0 -1 3 74731.9 3204.34 1 0 1 3 70998.1 3208.47 1 0 -1 -3 74457.4 3218.65 1 0 1 -3 76245.3 3214.59 1 0 1 4 23628.5 1166.32 1 0 1 -4 24152.2 1174.96 1 0 -1 -4 24883.6 1174.77 1 0 -1 4 22674.9 1163.01 1 0 1 4 23571.1 1160.35 1 0 1 -4 25577.5 1176.75 1 0 -1 -4 26546.9 1191.33 1 0 1 -5 22789.2 1151.13 1 0 -1 5 22234.7 1150.13 1 0 -1 -5 23157.1 1152.58 1 0 1 5 20270.6 1122 1 0 -1 5 22780.2 1127.41 1 0 1 5 23099.6 1132.72 1 0 -1 -5 24188.8 1154.43 1 0 -1 -6 487.806 124.107 1 0 1 -6 514.811 128.347 1 0 1 6 496.899 124.686 1 0 -1 6 586.584 134.402 1 0 1 6 577.346 125.444 1 0 -1 6 496.671 116.952 1 0 1 -6 260.448 89.1699 1 0 -1 -6 463.564 118.802 1 0 -1 -7 10036 676.876 1 0 1 7 9340.12 673.849 1 0 -1 7 10017 679.414 1 0 1 -7 8829.44 657.285 1 0 -1 7 9033.43 623.18 1 0 1 7 9864.25 639.114 1 0 1 -7 9291.26 643.63 1 0 -1 -7 9794.05 666.046 1 0 1 8 9500.63 663.238 1 0 -1 8 9698.53 657.886 1 0 1 -8 11183.9 717.44 1 0 1 9 868.243 186.352 1 0 1 -9 898.867 194.847 1 0 -1 9 962.896 192.612 1 0 -1 -9 936.689 206.2 1 0 -1 9 806.696 205.048 1 0 1 9 904.253 215.928 1 0 1 -9 851.68 214.135 1 0 -1 -9 721.805 196.396 1 0 -1 -10 -25.8728 32.0869 1 0 1 10 108.309 75.927 1 0 1 -10 24.8367 53.3193 1 0 1 10 -32.6925 57.3026 1 0 -2 -1 6304.38 281.873 1 0 2 1 5615.83 277.198 1 0 -2 1 6371.51 275.104 1 0 2 1 6144.08 274.055 1 0 -2 -1 6014.74 274.349 1 0 2 -2 1261.36 116.285 1 0 -2 2 1321.25 120.071 1 0 -2 -2 1302.92 115.5 1 0 2 2 1230.81 115.22 1 0 2 -2 973.364 104.846 1 0 -2 2 1454.84 118.928 1 0 2 2 1209.2 114.244 1 0 -2 -2 1438.34 127.038 1 0 2 -3 9581.37 527.084 1 0 2 3 10014.7 529.195 1 0 -2 3 9995.92 530.159 1 0 -2 3 9042 509.215 1 0 2 -3 9961.11 522.127 1 0 -2 -3 9713.45 532.325 1 0 2 3 9393.21 517.513 1 0 -2 -4 861.661 126.752 1 0 2 4 1094.38 142.845 1 0 2 -4 982.738 139.477 1 0 -2 4 883.407 133.405 1 0 2 4 1239 149.855 1 0 2 -4 1051.15 140.022 1 0 -2 -4 967.941 141.791 1 0 -2 -5 22341 1114.56 1 0 2 -5 20450.7 1112.19 1 0 -2 5 22301.6 1127.96 1 0 2 5 20882.5 1114.87 1 0 -2 5 22002.5 1102.03 1 0 2 5 22610.4 1106.11 1 0 -2 -5 22942.1 1138.49 1 0 -2 6 5189.33 437.836 1 0 -2 -6 5721.85 439.828 1 0 2 6 5512.79 448.43 1 0 2 -6 5619.46 447.046 1 0 2 6 5441.08 416.667 1 0 -2 6 5536.57 418.389 1 0 -2 -6 5953.88 456.306 1 0 2 -6 4991.15 412.413 1 0 2 7 4144.95 405.589 1 0 -2 7 3979.88 399 1 0 2 -7 4014.79 394.842 1 0 -2 7 4149.26 369.069 1 0 2 -7 3972.49 377.163 1 0 -2 -7 4243.75 396.943 1 0 -2 -8 85.752 70.5772 1 0 2 8 244.621 104.47 1 0 2 -8 138.428 77.7557 1 0 -2 8 181.987 84.62 1 0 2 -8 92.6637 70.6081 1 0 -2 8 235.43 105.377 1 0 2 8 119.493 84.0047 1 0 2 -9 6342.89 620.738 1 0 -2 9 6883.39 646.692 1 0 -2 -9 6856.37 628.118 1 0 2 9 8361.54 690.29 1 0 -2 -9 7737.22 633.684 1 0 2 -9 8067.24 620.686 1 0 -2 9 8450.11 610.953 1 0 2 9 7383.7 581.956 1 0 -2 -10 1486.17 276.564 1 0 2 10 1439.55 248.901 1 0 2 -10 1357.46 251.776 1 0 2 10 2190.34 361.681 1 0 -2 10 1977.51 284.999 1 0 3 0 7.52019 7.61406 1 0 -3 0 7.47205 8.17063 1 0 3 -1 96362.3 2590.12 1 0 -3 1 94062.8 2591.93 1 0 -3 -1 89832.4 2591.37 1 0 3 1 99363.6 2606.46 1 0 3 -2 67469.3 2814.18 1 0 -3 2 68766.5 2815.87 1 0 3 -2 69535.8 2824.37 1 0 -3 -2 67412.1 2834.63 1 0 3 2 64963 2825.76 1 0 -3 2 68802.9 2823.7 1 0 -3 -2 68792.5 2819.9 1 0 3 2 59537.5 2812.93 1 0 3 -3 18583.6 894.796 1 0 -3 -3 19850.2 911.729 1 0 3 3 20136 903.303 1 0 -3 3 18566.6 897.879 1 0 3 -3 16455 869.24 1 0 -3 3 17512.5 879.563 1 0 3 4 13325.2 735.251 1 0 -3 -4 15716.4 751.509 1 0 -3 4 12791.8 733.453 1 0 3 -4 12898.5 727.363 1 0 3 4 14323 738.67 1 0 -3 5 38280.2 1881.4 1 0 -3 -5 39417.5 1875.68 1 0 3 -5 39709.6 1880.56 1 0 3 5 41106.1 1889.43 1 0 -3 5 43312.9 1869.37 1 0 -3 -5 41316.2 1905.88 1 0 3 5 40136 1875.66 1 0 3 6 22390.3 1174.59 1 0 -3 -6 21708.7 1148.76 1 0 3 -6 19967.8 1146.1 1 0 3 6 22969.4 1150.21 1 0 -3 6 21789.6 1128.29 1 0 -3 -6 23496.7 1182.86 1 0 3 -6 20847.7 1131.32 1 0 -3 -7 464.824 130.364 1 0 3 -7 326.141 105.597 1 0 -3 7 361.365 109.051 1 0 3 -7 563.145 146.317 1 0 -3 -7 497.065 135.093 1 0 3 7 440.156 127.562 1 0 -3 7 355.774 120.061 1 0 3 -8 2327.61 328.731 1 0 3 -8 3111.78 339.848 1 0 -3 -8 2347.5 319.679 1 0 3 8 3201.04 374.618 1 0 -3 8 2490.67 340.334 1 0 -3 8 2848.18 319.488 1 0 3 8 2938.67 328.239 1 0 -3 9 6574.6 535.702 1 0 3 9 6212.57 524.039 1 0 3 -9 5724.94 577.799 1 0 -3 9 6284.27 596.343 1 0 -3 -9 5714.67 551.47 1 0 3 9 5646.49 580.105 1 0 3 -9 6595.48 548.827 1 0 -3 -9 6377.78 567.844 1 0 3 10 1272.37 234.213 1 0 3 -10 1386.48 249.997 1 0 3 10 1200.75 274.422 1 0 -3 10 1129.19 221.088 1 0 -4 0 55651.4 2283.66 1 0 4 0 53629.1 2282.85 1 0 -4 1 276276 8860.76 1 0 4 -1 282514 8867.3 1 0 4 1 254365 8859.04 1 0 4 -2 19304.8 883.495 1 0 -4 2 19021.6 883.791 1 0 -4 -2 17988.4 886.884 1 0 4 2 19660.4 893.609 1 0 4 -2 18506.4 873.144 1 0 -4 2 18856.6 869.69 1 0 4 2 18637.3 878.017 1 0 -4 -2 20329.6 886.366 1 0 -4 3 130555 5606.68 1 0 4 -3 130405 5609.22 1 0 4 -3 136378 5628.56 1 0 -4 -3 132564 5634.73 1 0 -4 -3 137323 5618.27 1 0 4 3 141551 5625.83 1 0 4 -4 72133.3 3160.11 1 0 4 -4 69923.3 3171.84 1 0 4 4 73205.2 3176.57 1 0 -4 -4 76038.9 3177.96 1 0 -4 4 68775.8 3177.82 1 0 4 4 80950.2 3206.89 1 0 4 -5 38638.1 1856.63 1 0 4 5 40866.4 1870.07 1 0 -4 5 38159.3 1858.18 1 0 -4 -5 39959 1838.05 1 0 -4 5 38183 1834.41 1 0 4 5 42658.7 1858.78 1 0 -4 6 237.712 84.8292 1 0 4 -6 287.643 92.3276 1 0 -4 -6 17.2196 102.712 1 0 4 6 275.556 93.3521 1 0 4 -6 192.035 81.4261 1 0 -4 -6 241.668 85.1625 1 0 4 6 254.379 89.5938 1 0 4 7 9474.3 610.617 1 0 -4 7 8297.12 582.754 1 0 4 -7 7472.88 604.161 1 0 -4 -7 9280.61 636.16 1 0 4 -7 7775.29 574.411 1 0 -4 7 7972.03 617.478 1 0 -4 -7 7670.16 587.56 1 0 4 7 8634.48 629.042 1 0 4 8 1658.17 250.843 1 0 -4 8 2764.15 306.937 1 0 4 -8 1961.85 299.191 1 0 -4 8 2140.97 311.961 1 0 4 8 2381.25 325.265 1 0 4 -8 1978.71 269.031 1 0 -4 -8 2164.58 299.189 1 0 4 9 2357.44 314.996 1 0 -4 9 2090.02 283.809 1 0 -4 -9 2143.15 311.732 1 0 4 -9 2371.97 309.657 1 0 4 9 2431.29 348.177 1 0 -4 -9 1868.21 304.996 1 0 4 -9 1626.08 299.351 1 0 4 10 375.063 145.098 1 0 -4 -10 213.531 104.855 1 0 4 10 68.6027 89.9175 1 0 5 0 8.14351 10.0906 1 0 -5 0 -4.16548 7.29969 1 0 -5 1 4023.72 233.68 1 0 5 -1 4018.17 230.046 1 0 5 1 4090.16 236.354 1 0 -5 -1 4189.88 236.147 1 0 -5 2 19894.4 943.799 1 0 5 2 19592.6 943.066 1 0 -5 2 20206.2 929.182 1 0 5 -2 19904.5 926.74 1 0 -5 -2 20612.1 937.466 1 0 5 2 21187.2 946.869 1 0 5 -3 17559.4 847.603 1 0 -5 3 16985.7 847.567 1 0 5 -3 16089.2 856.054 1 0 -5 -3 16918 863.329 1 0 5 3 18667.3 882.306 1 0 -5 3 17358.3 866.047 1 0 -5 -3 18013.3 863.588 1 0 5 3 17989.9 856.039 1 0 5 -4 3430.51 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-1 1000.16 221.687 1 -3 -26 -2 659.902 172.371 1 -3 -26 -2 960.031 221.659 1 3 26 2 869.152 196.668 1 -3 -26 -3 1491.75 285.283 1 3 26 3 1753.7 320.44 1 3 27 -3 1686.31 278.937 1 -3 -27 3 2048.38 329 1 3 27 -2 629.36 169.036 1 -3 -27 2 665.982 185.637 1 -3 -27 1 5593.35 575.742 1 3 27 -1 5713.47 539.282 1 -3 -27 1 6813.6 597.209 1 3 27 0 545.599 160.736 1 -3 -27 0 443.998 151.01 1 -3 -27 0 362.313 143.577 1 3 27 1 1114.3 234.086 1 -3 -27 -1 1373.34 250.466 1 -3 -27 -1 1631.18 293.007 1 -3 -27 -2 286.212 111.745 1 -3 -27 -2 454.352 156.16 1 3 27 2 467.222 147.011 1 3 27 3 1732.16 309.493 1 -3 -28 2 267.808 124.548 1 3 28 -2 221.561 101.645 1 -3 -28 1 1166.24 243.609 1 3 28 -1 917.114 202.723 1 -3 -28 0 1882.05 320.027 1 3 28 0 1239.99 248.597 1 -3 -28 -1 252.507 130.723 1 3 28 1 377.158 136.423 1 3 28 2 25.0987 43.9915 1 -3 -29 0 1484.6 284.58 1 3 29 0 1104.52 233.124 1 3 29 1 661.565 177.577 1 -4 0 9 23.4018 50.2313 1 -4 0 8 17710.3 1097.1 1 4 0 -8 19027.3 1232.61 1 4 0 -8 20228.6 1146.1 1 4 0 -7 -266.633 151.432 1 -4 0 7 -19.3846 89.9308 1 -4 0 7 -24.0966 123.148 1 -4 0 6 27012.6 1406.26 1 4 0 -6 27754.9 1502.2 1 4 0 -6 26916.7 1415.04 1 4 0 -5 -19.2957 33.8122 1 4 0 -5 -16.1395 39.9958 1 -4 0 5 17.4782 30.6274 1 -4 0 4 65445.6 3019.19 1 -4 0 4 68836.2 3038.14 1 4 0 -4 71033 3032.81 1 4 0 -3 -65.0915 80.6706 1 4 0 -3 -33.4907 58.7114 1 -4 0 3 -34.6264 53.5394 1 -4 0 3 -47.2474 41.4329 1 4 0 -2 58482.9 2444.79 1 4 0 -2 55195.2 2455.34 1 -4 0 2 54263.4 2446.49 1 -4 0 1 7.39604 12.9602 1 -4 0 1 -7.55434 18.7206 1 4 0 -1 7.72996 21.4167 1 4 0 0 27238.9 1200.65 1 -4 0 0 25997.1 1188.35 1 -4 0 0 27144.9 1207.69 1 4 0 1 5.99465 18.194 1 -4 0 -1 -5.26733 11.3043 1 -4 0 -1 5.70548 17.3164 1 4 0 2 16929.9 812.369 1 4 0 2 16437.1 790.802 1 -4 0 -2 16865.2 788.442 1 4 0 3 -9.30418 23.058 1 4 0 3 16.0544 22.2415 1 -4 0 -4 5843.41 405.051 1 4 0 4 6076.37 424.857 1 -4 0 -5 -14.5662 31.2611 1 4 0 5 15.1861 37.6331 1 4 0 5 -11.3337 28.0869 1 -4 0 -6 -19.2855 67.5875 1 4 0 6 20.4359 56.6201 1 4 0 6 13.0301 55.9284 1 -4 0 -7 -24.1722 42.3681 1 4 0 7 -25.266 54.2323 1 4 0 8 -62.2676 102.094 1 -4 -1 9 48.8574 52.4636 1 -4 1 8 383.052 183.777 1 -4 -1 8 381.502 148.676 1 4 -1 -8 882.243 241.584 1 -4 -1 8 413.798 139.201 1 4 1 -8 700.789 176.187 1 4 -1 -8 501.16 178.289 1 -4 1 8 498.334 160.215 1 4 1 -7 15040.5 1009.43 1 4 -1 -7 14212.1 983.068 1 -4 1 7 14309.4 898.563 1 -4 -1 7 14803 913.021 1 -4 -1 7 14374.3 960.618 1 -4 1 7 16645.5 1001.43 1 4 -1 -7 15766 931.406 1 4 -1 -6 -69.8106 125.682 1 4 1 -6 160.721 89.9669 1 -4 1 6 -119.699 89.8952 1 4 1 -6 55.5841 60.7452 1 4 -1 -6 17.9354 94.2872 1 -4 -1 6 128.417 78.7464 1 4 1 -5 600.563 147.884 1 4 -1 -5 659.419 154.419 1 -4 1 5 404.706 119.73 1 -4 -1 5 572.443 132.829 1 4 1 -5 654.245 137.564 1 4 -1 -5 606.021 136.059 1 -4 1 5 563.626 130.799 1 4 -1 -4 14802.5 860.852 1 4 1 -4 16514.6 878.78 1 -4 -1 4 16388 892.736 1 -4 1 4 15679.3 880.206 1 4 1 -4 15934.4 910.388 1 -4 -1 4 15579.7 877.214 1 -4 1 4 17045.8 880.132 1 4 -1 -3 42410.1 1975.14 1 4 1 -3 44007.6 1986.69 1 -4 -1 3 47983.2 2023.9 1 -4 1 3 46876.4 2002.12 1 4 -1 -3 43294.2 2006.44 1 4 1 -3 43739 2020.16 1 -4 -1 3 41487.8 1992.08 1 -4 1 3 42651.1 1984.97 1 -4 -1 2 15068.5 803.073 1 4 1 -2 15883.4 802.222 1 4 -1 -2 16374.2 788.202 1 -4 1 2 14830.2 787.878 1 -4 1 2 15467.7 791.141 1 4 1 -2 16288.4 832.521 1 4 -1 -2 16746.8 817.538 1 4 -1 -1 2074.5 173.443 1 4 1 -1 1860.33 177.79 1 4 1 -1 1818.44 163.589 1 4 -1 -1 2005.6 166.102 1 -4 1 1 1891.98 163.998 1 -4 -1 1 2069.6 184.063 1 -4 -1 1 1920.07 181.543 1 -4 1 1 2086.94 172.014 1 4 1 0 47051.2 1938.05 1 4 -1 0 44241.1 1896.46 1 -4 1 0 44507.7 1898.72 1 -4 -1 0 45455.8 1920.65 1 -4 1 0 42289.5 1900.63 1 -4 -1 0 43499.6 1939.25 1 -4 -1 -1 26733.4 1155.24 1 -4 1 -1 25253.2 1123.62 1 4 -1 1 24936 1131.89 1 4 1 1 26176.3 1176.23 1 -4 1 -1 26116.2 1125.16 1 -4 -1 -1 25735.5 1165.1 1 4 1 2 25519.4 1170.04 1 4 -1 2 24389.4 1126.93 1 -4 1 -2 27118.5 1125.39 1 -4 -1 -2 23867 1138.41 1 4 -1 2 24076.1 1116.72 1 -4 -1 -3 3567.64 270.146 1 4 1 3 3455.62 279.594 1 4 -1 3 3323.87 256.917 1 4 -1 3 3455.94 241.914 1 -4 1 -4 25849.9 1220.06 1 -4 -1 -4 24871.8 1225.76 1 4 -1 4 24935.5 1229.8 1 4 1 4 26773.9 1258.21 1 4 1 4 24248.7 1206.18 1 -4 1 -5 29.7754 52.216 1 4 1 5 32.3011 40.0764 1 4 -1 5 45.2445 45.8199 1 -4 -1 -5 15.0907 32.4525 1 4 1 5 69.3153 45.3129 1 4 -1 5 76.9434 47.225 1 4 -1 6 7574.29 494.062 1 -4 1 -6 8338.83 589.295 1 -4 -1 -6 6723.24 551.563 1 4 -1 6 7150.72 567.597 1 4 1 6 6834.57 564.515 1 4 1 6 7475.77 507.635 1 -4 -1 -7 1267.76 237.421 1 -4 1 -7 1020.55 221.456 1 4 -1 7 1185.34 234.335 1 4 1 7 806.712 200.935 1 4 -1 8 4882.76 551.614 1 4 1 8 6020.31 602.389 1 -4 -2 9 48.3579 51.9273 1 -4 -2 8 79.8451 80.8112 1 -4 2 8 27.3583 83.0662 1 4 2 -8 67.9781 79.4453 1 -4 -2 8 87.7083 66.5905 1 4 -2 -8 21.5498 59.7514 1 -4 2 8 41.3683 57.3551 1 4 2 -8 90.8264 83.9135 1 4 -2 -8 63.0841 87.4214 1 -4 -2 7 516.424 154.923 1 -4 2 7 262.482 130.091 1 4 2 -7 349.848 123.567 1 4 -2 -7 451.69 140.905 1 -4 -2 7 393.872 127.077 1 -4 2 7 488.712 136.021 1 4 -2 -7 581.779 175.926 1 4 2 -7 512.242 167.963 1 4 -2 -6 895.421 194.212 1 4 2 -6 862.364 192.043 1 4 2 -6 943.683 173.554 1 -4 -2 6 726.652 158.472 1 4 -2 -6 775.483 164.477 1 -4 2 6 1055.06 184.93 1 -4 2 6 963.39 190.086 1 4 -2 -5 -19.6748 34.4799 1 4 2 -5 -19.5408 41.9398 1 4 -2 -5 15.509 27.1814 1 -4 -2 5 -16.538 28.9842 1 -4 2 5 -14.833 31.8376 1 -4 -2 5 105.065 65.0924 1 -4 2 5 34.5863 42.8575 1 4 2 -5 15.8383 33.9948 1 4 2 -4 343.935 110.398 1 4 -2 -4 409.959 112.385 1 -4 -2 4 441.761 114.326 1 -4 2 4 343.64 98.4263 1 4 -2 -4 296.771 89.82 1 -4 -2 4 473.035 116.165 1 -4 2 4 407.96 99.0813 1 4 -2 -3 39277.1 1839.28 1 4 2 -3 39991.7 1845.8 1 -4 -2 3 42733.3 1885.58 1 -4 2 3 43357.6 1854.93 1 4 -2 -3 43027.3 1882.68 1 -4 -2 3 40596.8 1866.19 1 -4 2 3 36387.2 1827.22 1 4 -2 -2 9705.75 532.822 1 4 2 -2 10243.7 566.015 1 -4 -2 2 9763.03 561.34 1 -4 2 2 9375.41 536.779 1 -4 2 2 9942.47 541.994 1 4 -2 -2 10020.9 554.833 1 4 2 -2 9807.46 575.299 1 4 -2 -1 13.2375 20.0955 1 4 -2 -1 12.0458 18.2878 1 4 2 -1 7.23081 15.5276 1 -4 -2 1 35.8641 29.3976 1 -4 2 1 6.42583 13.8013 1 -4 2 1 31.56 23.4689 1 4 2 -1 -8.91079 19.1312 1 4 -2 0 7821.07 378.215 1 -4 2 0 7282.33 371.256 1 -4 -2 0 7425.94 414.484 1 -4 2 0 7232.65 373.706 1 -4 -2 0 7220.55 429.199 1 4 2 0 6815.69 420.414 1 -4 -2 -1 98867.3 4472.23 1 -4 2 -1 111582 4428.96 1 4 2 1 108533 4523.89 1 4 -2 1 110788 4434.7 1 -4 -2 -1 115248 4530.78 1 -4 2 -1 102725 4427.57 1 4 2 2 23009.8 1112.98 1 4 -2 2 23164.5 1033 1 -4 2 -2 22931.7 1025.64 1 -4 -2 -2 23759.6 1095.07 1 4 -2 2 23364.3 1032.36 1 -4 2 -3 1555.13 151.342 1 -4 -2 -3 1364.19 163.627 1 4 2 3 1612.3 186.152 1 4 -2 3 1707.51 146.432 1 4 2 3 1551.04 168.167 1 -4 -2 -4 5693.8 416.541 1 -4 2 -4 6344.35 407.873 1 4 2 4 5619.93 430.966 1 4 -2 4 5781.51 370.012 1 4 2 4 6012.51 405.643 1 4 -2 5 41609.6 1886.26 1 -4 -2 -5 39525.7 1957.61 1 -4 2 -5 44378.8 1970.71 1 4 2 5 41483.5 2009.4 1 4 -2 5 40595.3 1957.46 1 4 2 5 42672.4 1925.1 1 4 -2 6 4683.2 367.034 1 4 2 6 4647.92 379.506 1 4 2 6 4903.77 449.621 1 4 -2 6 5194.2 445.456 1 -4 -2 -6 5017.76 441.948 1 -4 2 -6 4960.96 445.531 1 4 2 7 234.751 89.2538 1 -4 2 -7 119.57 94.0721 1 -4 -2 -7 198.614 102.366 1 4 2 7 182.505 107.468 1 4 -2 7 253.871 111.067 1 4 2 8 1627.62 306.71 1 4 -2 8 1706.65 302.561 1 4 3 -9 169.556 104.305 1 -4 -3 9 244.643 109.615 1 4 -3 -8 1617.46 315.735 1 4 3 -8 1714.49 318.562 1 -4 -3 8 1610.44 269.915 1 -4 3 8 2049.92 330.154 1 -4 -3 8 2183.82 331.056 1 4 3 -8 1937.55 288.813 1 4 -3 -8 2566.06 316.873 1 4 3 -7 12701.5 891.124 1 4 -3 -7 12803.3 904.987 1 -4 3 7 12306.7 791.624 1 -4 -3 7 11909 809.462 1 -4 3 7 12883.1 868.243 1 -4 -3 7 12318.4 844.537 1 4 3 -7 13276.1 826.745 1 4 -3 -7 12180.8 794.217 1 4 -3 -6 7023.45 575.837 1 -4 3 6 6048.05 483.629 1 -4 -3 6 5531.95 480.99 1 -4 3 6 6652.25 535.713 1 4 3 -6 6059.26 537.07 1 4 3 -6 6160.77 495.032 1 4 -3 -6 7113.77 511.002 1 4 -3 -5 1470.23 233.26 1 -4 3 5 1984.24 234.944 1 -4 -3 5 2312.19 267.961 1 -4 -3 5 1965.26 260.243 1 -4 3 5 1710.41 239.978 1 4 3 -5 2062.96 250.251 1 4 -3 -4 1804.65 231.542 1 4 -3 -4 1792.21 209.72 1 4 3 -4 1791.21 212.869 1 -4 3 4 1678.04 202.31 1 -4 -3 4 1674.05 217.359 1 -4 -3 4 1590.24 215.735 1 -4 3 4 1880.45 217.68 1 4 3 -4 1824.49 238.239 1 4 -3 -3 45954.2 2115.02 1 4 3 -3 47454 2111.12 1 -4 -3 3 45544 2114.75 1 4 -3 -3 47303.6 2092.22 1 -4 -3 3 48131 2144.21 1 -4 3 3 45130.3 2071.9 1 -4 3 3 46711 2094.45 1 4 -3 -2 46310.1 1960.99 1 -4 -3 2 45428.2 1984.32 1 4 3 -2 42034.7 1972.41 1 -4 3 2 41692.4 1930.15 1 -4 3 2 44189.9 1930.46 1 4 3 -2 44600.8 1995.03 1 4 3 -1 9587.82 526.926 1 -4 -3 1 10291.4 544.681 1 4 -3 -1 9498.1 482.507 1 -4 3 1 9636.01 488.681 1 4 -3 -1 9151.76 489.498 1 4 3 -1 9367.31 544.049 1 -4 -3 1 9288.91 543.041 1 -4 3 1 10006.1 487.158 1 4 -3 0 178.828 35.0977 1 -4 -3 0 156.586 53.8427 1 -4 3 0 92.6721 29.4188 1 4 3 0 158.337 51.4487 1 4 -3 1 16801.4 787.756 1 -4 -3 -1 18465.3 868.609 1 4 3 1 20399 927.193 1 4 -3 1 19322.8 789.702 1 -4 -3 -1 21536.7 939.244 1 -4 3 -2 35103 1469.8 1 4 3 2 35331.7 1604.21 1 4 -3 2 32798.7 1470.32 1 4 -3 2 35574.4 1470.47 1 4 -3 3 10686.4 527.832 1 -4 3 -3 10173.9 537.227 1 4 -3 3 10051.5 543.883 1 -4 -3 -3 11060.3 603.461 1 4 3 3 10927.8 595.12 1 4 -3 4 1759.54 171.115 1 -4 -3 -4 1882.51 221.186 1 4 3 4 2151.11 252.167 1 4 3 4 1995.44 210.275 1 -4 3 -5 6362.42 449.953 1 -4 -3 -5 6006.26 455.538 1 4 3 5 5460.02 468.387 1 4 -3 5 5340.54 427.466 1 4 3 5 6031.32 429.088 1 4 -3 6 2787.66 259.082 1 4 3 6 2622.94 271.935 1 4 -3 6 2770.85 307.73 1 -4 -3 -6 3122.18 344.219 1 -4 3 -6 2824.04 323.525 1 4 3 7 2236.5 323.789 1 4 -3 7 2032.75 296.492 1 -4 3 -7 1976.19 307.611 1 -4 -3 -7 2146.5 312.52 1 4 -3 8 1316.35 267.388 1 4 4 -9 7624.06 635.746 1 4 -4 -8 5508.01 487.082 1 4 4 -8 5274.23 485.79 1 4 4 -8 4394.64 514.718 1 4 -4 -8 5535.6 600.893 1 -4 -4 8 4692.9 481.004 1 -4 -4 8 5363.68 526.325 1 -4 4 7 50.8083 70.4442 1 -4 -4 7 118.228 82.9179 1 4 4 -7 142.827 83.8987 1 4 -4 -7 28.3812 49.8162 1 4 4 -7 -26.0219 32.3726 1 4 -4 -7 39.0754 54.2087 1 -4 4 7 91.9627 72.1241 1 4 4 -6 3375.29 354.807 1 4 -4 -6 3627.38 361.469 1 4 -4 -6 4386.83 442.207 1 -4 4 6 4419.63 425.293 1 4 4 -6 3996.95 419.516 1 -4 -4 6 3754.23 377.316 1 -4 4 6 3860.46 357.236 1 4 4 -5 38333.5 1920.76 1 -4 -4 5 38746.1 1938.03 1 -4 4 5 41157.6 1912.23 1 -4 4 5 42406.5 1977.95 1 -4 -4 5 42235.3 1977.88 1 4 4 -5 40869.4 1986.67 1 4 4 -4 15790.8 906.027 1 4 -4 -4 16038.7 891.106 1 4 -4 -4 18019.4 960.526 1 -4 -4 4 15664.9 918.912 1 -4 4 4 17699.1 909.031 1 -4 -4 4 17252.4 959.29 1 -4 4 4 18158.4 934.737 1 4 4 -4 17277.5 964.554 1 -4 -4 3 13.7834 34.1579 1 -4 4 3 -10.8097 42.3559 1 4 -4 -3 12.2711 30.4105 1 4 4 -3 12.7261 27.3133 1 4 -4 -3 52.9865 41.5236 1 -4 -4 3 12.9873 27.8737 1 -4 4 3 -30.3183 37.5671 1 4 -4 -2 11941.4 622.692 1 4 4 -2 11999.7 655.61 1 -4 -4 2 11142.4 648.881 1 -4 -4 2 11330.8 664.301 1 -4 4 2 11348.9 597.028 1 -4 4 2 11491 600.066 1 4 -4 -1 50493.6 2141.42 1 -4 -4 1 51403.5 2210.8 1 4 4 -1 50614.2 2195.04 1 4 -4 -1 49072 2124.84 1 -4 4 1 49834.8 2129.3 1 -4 4 1 49534.3 2128.45 1 4 4 -1 51454.1 2231.6 1 -4 -4 0 18943.4 826.617 1 -4 4 0 14411.9 690.776 1 -4 -4 0 17821.7 844.013 1 4 4 0 20409.6 864.346 1 4 -4 0 16141.6 698.16 1 -4 -4 -1 -10.2225 28.3222 1 4 4 1 9.91496 21.2784 1 4 -4 2 62.9878 20.3572 1 4 4 2 58.5152 38.3995 1 -4 4 -2 25.5574 14.4859 1 -4 -4 -2 51.6046 36.2068 1 4 -4 2 27.8535 15.1056 1 4 -4 3 8361.74 430.469 1 -4 4 -3 8186.06 444.131 1 -4 -4 -3 8570.05 519.664 1 4 -4 3 8794.88 447.611 1 4 4 3 8584.26 523.696 1 4 -4 4 3306.48 245.949 1 4 4 4 3899.28 315.28 1 -4 4 -4 3531.13 277.716 1 -4 -4 -4 3597.3 321.375 1 4 4 4 3496.22 336.223 1 4 4 5 56.0146 46.2808 1 -4 4 -5 14.1252 30.3309 1 -4 -4 -5 16.8312 29.5103 1 4 -4 5 29.1437 31.8624 1 4 4 5 13.9706 34.6351 1 4 -4 6 1109.36 158.868 1 4 4 6 855.413 155.54 1 -4 -4 -6 1247.92 213.095 1 4 -4 6 1158.76 193.743 1 -4 4 -6 736.89 173.835 1 4 4 7 16.086 39.8704 1 4 4 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1087.8 1 5 9 1 23751.4 1220.11 1 -5 -9 -1 22390.3 1202.76 1 5 9 2 16103.5 949.489 1 -5 -9 -2 14416.7 892.856 1 5 9 3 18519.7 1108.65 1 -5 -9 -3 19271.7 1090.43 1 -5 9 -4 78.0968 21.1174 1 5 9 4 190.484 97.9117 1 5 -9 4 87.8867 26.8374 1 -5 -9 -4 160.963 99.7824 1 -5 9 -5 12584.9 662.11 1 5 9 5 15105.2 969.613 1 5 9 5 15787.1 857.087 1 -5 -9 -5 14457.7 911.42 1 5 -9 5 11048.3 656.967 1 -5 9 -6 7857.78 511.186 1 5 9 6 8084.26 716.939 1 5 -9 6 6828.16 485.876 1 5 -9 7 6017.02 475.783 1 -5 -10 7 -24.0045 42.0632 1 5 10 -7 -31.2275 38.693 1 5 10 -7 22.6732 39.7304 1 5 -10 -6 1011.52 247.418 1 -5 10 6 824.357 204.117 1 5 10 -6 869.548 211.924 1 5 10 -6 1004.97 203.559 1 -5 -10 6 889.31 190.616 1 -5 -10 6 998.72 237.548 1 5 10 -5 4837.39 516.511 1 -5 10 5 6253.02 510.84 1 5 -10 -5 5305.5 509.437 1 -5 -10 5 4561.92 455.95 1 -5 -10 5 5225.66 526.673 1 5 -10 -5 6374.2 460.426 1 -5 10 5 6227.93 445.626 1 -5 10 4 11649.4 681.338 1 5 -10 -4 9769.12 674.737 1 5 10 -4 9448.53 662.551 1 -5 -10 4 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427.283 120.986 1 -7 -5 -2 476.04 129.963 1 7 5 2 596.812 144.263 1 7 5 3 3032.13 332.95 1 -7 -5 -3 2449.3 298.233 1 7 5 4 12794.4 842.187 1 7 -5 6 -6.1891 25.435 1 -7 6 4 308.149 101.893 1 7 -6 -4 361.934 117.614 1 7 6 -3 12884.1 875.288 1 -7 6 3 11005.1 648.704 1 7 -6 -3 11313.6 692.039 1 7 6 -2 560.145 153.371 1 -7 -6 2 587.785 160.832 1 -7 6 2 469.954 83.5583 1 7 -6 -2 472.089 100.09 1 -7 -6 1 1858.54 268.786 1 7 6 -1 2104.38 287.259 1 -7 -6 -1 20550.5 1137.9 1 7 6 1 20367.4 1149.13 1 -7 -6 -2 468.323 138.509 1 7 6 2 421.1 130.369 1 7 6 3 3542.94 393.861 1 -7 -6 -3 3393.71 361.345 1 7 6 4 22.7565 56.4002 1 -7 7 4 1111.38 183.465 1 7 -7 -4 1536.38 242.284 1 -7 7 3 806.87 134.068 1 7 7 -3 977.363 222.876 1 7 -7 -3 668.034 143.893 1 7 7 -2 673.168 177.942 1 -7 -7 2 800.928 190.753 1 7 -7 -2 537.63 97.45 1 -7 -7 1 238.828 104.676 1 7 7 -1 257.303 106.746 1 -7 -7 0 5054.31 468.582 1 7 7 0 5473.78 490.242 1 -7 -7 -2 931.693 191.017 1 7 7 2 1208.18 225.904 1 7 7 3 1192.81 233.259 1 -7 8 4 2519.89 277.897 1 7 -8 -4 2920.35 337.857 1 7 8 -3 527.053 168.952 1 -7 8 3 392.042 89.7407 1 7 -8 -3 196.407 77.3057 1 7 8 -2 77.2836 71.4425 1 -7 -8 1 580.051 164.441 1 7 8 -1 619.116 162.557 1 -7 -8 0 197.773 94.715 1 7 8 0 228.804 106.427 1 -7 -8 -1 704.509 172.122 1 7 8 1 815.687 190.801 1 -7 -8 -2 279.985 113.444 1 7 8 2 49.1836 68.5085 1 7 -9 -4 3288.19 341.378 1 -7 9 3 -8.61454 26.1477 1 -7 9 2 77.5542 28.3863 1 7 9 -2 214.282 105.011 1 -7 -9 1 4104.86 449.217 1 7 9 -1 4437.54 461.569 1 -7 -9 0 4503.96 475.289 1 7 9 0 5812.24 526.883 1 7 9 1 1066.97 228.827 1 -7 -9 -1 1031.41 216.73 1 7 9 2 398.921 158.859 1 7 -10 -4 1304.46 212.875 1 -7 10 3 556.67 98.8425 1 7 10 -2 4935.71 492.266 1 -7 10 2 2265.43 146.117 1 7 10 -1 106.824 81.169 1 7 10 0 1851.57 304.383 1 7 10 1 1257.63 247.509 1 7 10 2 11540.1 875.71 1 -7 11 3 195.744 60.3288 1 -7 11 2 100.853 22.7736 1 7 11 -1 1191.62 253.235 1 7 11 0 170.417 99.7791 1 7 11 1 554.037 166.139 1 -7 12 3 359.857 75.3534 1 -7 13 3 252.875 65.3031 1 -7 14 3 2987.4 219.771 1 -7 15 3 134.809 46.506 1 -7 16 3 1241.06 132.338 1 8 0 -2 -30.6679 76.0079 1 -8 0 1 -11.122 30.8179 1 8 0 -1 -11.9125 36.1578 1 -8 0 0 51.5117 36.8919 1 8 0 0 35.4282 38.0571 1 -8 0 -1 -13.5615 20.5837 1 8 0 1 -6.72154 24.9882 1 -8 0 -2 984.741 117.6 1 8 0 2 1075.96 112.184 1 -8 0 -3 6.51433 19.7725 1 8 0 3 5.21592 22.3888 1 -8 0 -4 7.93103 27.7982 1 8 0 4 12.7258 26.1517 1 8 1 -2 9214.13 605.23 1 -8 1 2 7182.32 510.266 1 8 -1 -2 8508.19 550.162 1 -8 1 1 553.744 105.388 1 -8 -1 1 727.913 138.847 1 8 1 -1 739.041 143.907 1 8 -1 -1 725.166 124.683 1 -8 -1 0 -11.0286 33.4722 1 -8 1 0 -13.5311 27.8027 1 8 1 0 10.6502 39.5881 1 8 -1 0 6.91199 25.6929 1 8 1 1 -8.78442 32.6565 1 -8 -1 -1 27.314 39.0818 1 -8 1 -1 9.1875 20.5281 1 8 -1 1 17.4761 22.3255 1 8 1 2 3645.75 233.802 1 -8 -1 -2 3831.85 258.274 1 -8 -1 -3 981.121 140.422 1 8 1 3 927.574 127.497 1 8 1 4 25.8253 39.9232 1 8 -2 -3 6453.32 504.849 1 8 -2 -2 253.644 90.6633 1 8 2 -2 291.997 108.773 1 -8 2 2 133.471 68.0412 1 8 -2 -1 3582.46 269.943 1 -8 -2 1 4202.11 355.219 1 8 2 -1 4506.83 362.324 1 8 -2 0 1236.88 116.781 1 -8 -2 0 2101.05 227.9 1 8 2 0 2402.78 242.684 1 -8 -2 -1 3757.78 320.701 1 8 2 1 3986.39 313.512 1 -8 -2 -2 234.593 75.3928 1 8 2 2 251.39 78.2686 1 -8 -2 -3 793.695 139.305 1 8 2 3 769.073 132.909 1 8 -3 -3 410.701 118.61 1 8 -3 -2 1845.81 203.024 1 -8 3 2 1451.48 176.895 1 8 3 -1 1021.21 183.807 1 8 -3 -1 820.025 111.757 1 -8 3 1 569.97 92.4323 1 8 3 0 114.135 66.2659 1 -8 -3 0 85.5514 56.0144 1 -8 -3 -1 312.038 93.3366 1 8 3 1 433.112 108.14 1 -8 -3 -2 662.641 134.005 1 8 3 2 772.967 137.803 1 8 3 3 279.943 89.9089 1 8 -4 -3 129.545 75.8487 1 8 -4 -2 38.44 41.2791 1 -8 4 2 40.4785 28.4173 1 8 -4 -1 104.514 40.6992 1 -8 4 1 108.103 31.4011 1 8 4 0 538.858 138.954 1 8 4 1 14.4615 40.0712 1 8 4 2 302.695 100.194 1 8 -5 -3 1264.94 188.628 1 -8 5 2 399.576 77.4013 1 8 -5 -2 414.894 91.561 1 8 5 0 624.536 153.082 1 8 5 1 1071.17 191.635 1 8 -6 -3 159.07 79.0437 1 -8 6 2 522.248 78.9248 1 8 -6 -2 701.462 97.0774 1 -8 7 3 233.396 62.8459 1 8 -7 -3 167.315 70.285 1 -8 7 2 68.6187 26.0731 1 -8 9 3 35.486 26.4611 1 -8 10 3 3474.95 220.893 1