#------------------------------------------------------------------------------ #$Date: 2021-11-26 01:53:58 +0200 (Fri, 26 Nov 2021) $ #$Revision: 270881 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708929.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_7708929 loop_ _publ_author_name 'Kajiwara, Yuu' 'Miyata, Seiya' 'Nakai, Hidetaka' _publ_section_title ; Unusual motion of n-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with n-methoxypropyltetramethylcyclopentadienyl ligands ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT03347F _journal_year 2021 _chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk' _chemical_formula_moiety 'C28 H46 O6 Rh2 S2' _chemical_formula_sum 'C28 H46 O6 Rh2 S2' _chemical_formula_weight 748.60 _space_group_crystal_system monoclinic _space_group_IT_number 9 _space_group_name_Hall 'C -2yc' _space_group_name_H-M_alt 'C 1 c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_update_record ; 2021-10-02 deposited with the CCDC. 2021-11-25 downloaded from the CCDC. ; _cell_angle_alpha 90.0000 _cell_angle_beta 95.169(3) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 15.0590(6) _cell_length_b 19.1869(8) _cell_length_c 10.7664(4) _cell_measurement_reflns_used 7860 _cell_measurement_temperature 296 _cell_measurement_theta_max 30.53 _cell_measurement_theta_min 3.74 _cell_volume 3098.1(2) _computing_cell_refinement 'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)' _computing_molecular_graphics 'CrystalStructure 4.2.2' _computing_publication_material 'CrystalStructure 4.2.2 (Rigaku, 2016)' _computing_structure_refinement 'SHELXL Version 2014/7 (Sheldrick, 2008)' _computing_structure_solution 'SHELXT Version 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 296 _diffrn_detector_area_resol_mean 5.811 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.916 _diffrn_measurement_device_type 'Rigaku XtaLAB P200' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71075 _diffrn_reflns_av_R_equivalents 0.0295 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.916 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 17280 _diffrn_reflns_point_group_measured_fraction_full 0.886 _diffrn_reflns_point_group_measured_fraction_max 0.769 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.125 _diffrn_reflns_theta_min 2.654 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.236 _exptl_absorpt_correction_T_max 0.884 _exptl_absorpt_correction_T_min 0.858 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.20a (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour red-orange _exptl_crystal_density_diffrn 1.605 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1536.00 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.100 _refine_diff_density_max 0.73 _refine_diff_density_min -0.43 _refine_ls_abs_structure_details ; Flack x determined using 2583 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.04(2) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_number_parameters 371 _refine_ls_number_reflns 7672 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0404 _refine_ls_R_factor_gt 0.0333 _refine_ls_shift/su_max 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0365P)^2^+3.6222P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0779 _refine_ls_wR_factor_ref 0.0817 _reflns_Friedel_coverage 0.677 _reflns_Friedel_fraction_full 0.774 _reflns_Friedel_fraction_max 0.622 _reflns_number_gt 6864 _reflns_number_total 7672 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file d1dt03347f2.cif _cod_data_source_block sample5 _cod_database_code 7708929 _shelx_res_file ; shelxl.res created by SHELXL-2014/7 TITL sample5 CELL 0.71075 15.05900 19.18690 10.76640 90.00000 95.16900 90.00000 ZERR 4 0.00060 0.00080 0.00040 0.00000 0.00300 0.00000 LATT -7 SYMM +X, -Y, .50+Z SFAC C H RH S O UNIT 112 184 8 8 24 L.S. 30 FMAP 2 PLAN 5 WPDB -2 HTAB BOND $H CONF LIST 4 TEMP 23.0 ACTA SIZE 0.200 0.150 0.100 WGHT 0.036500 3.622200 FVAR 0.21642 RH1 3 0.544029 0.145006 0.364361 11.00000 0.03813 0.04064 = 0.03784 0.00252 0.00674 -0.00268 RH2 3 0.470151 0.229213 0.518839 11.00000 0.03049 0.04158 = 0.03535 -0.00057 -0.00252 -0.00022 S1 4 0.675589 0.151065 0.488922 11.00000 0.04489 0.10114 = 0.07152 0.01988 -0.01070 0.00226 S2 4 0.599756 0.231128 0.645274 11.00000 0.04021 0.08314 = 0.06113 -0.00356 -0.01872 0.00197 O1 5 0.698414 0.093450 0.563637 10.79000 0.06954 0.09428 = 0.07823 0.00641 -0.00137 0.03502 O2 5 0.745894 0.186925 0.435326 10.98000 0.05653 0.13809 = 0.14596 0.03248 -0.00829 -0.02905 O3 5 0.595732 0.194437 0.759827 11.00000 0.07707 0.10234 = 0.06301 0.00933 -0.02276 0.00902 O4 5 0.649010 0.293674 0.644712 10.74000 0.06164 0.09032 = 0.08114 -0.01627 -0.01869 -0.01712 O5 5 0.664358 0.158429 0.616029 10.21000 0.03749 0.09499 = 0.05531 -0.00266 -0.02067 0.02785 O6 5 0.684298 0.222111 0.577448 10.28000 0.03711 0.08292 = 0.05062 -0.00609 -0.00865 0.01083 O7 5 0.223367 0.005628 -0.067433 11.00000 0.12972 0.22792 = 0.20755 -0.13854 -0.03238 0.03384 O8 5 0.495518 0.543324 0.614717 11.00000 0.11637 0.06971 = 0.13542 -0.00025 0.00459 -0.01277 C1 1 0.447373 0.090738 0.222015 11.00000 0.05491 0.06661 = 0.05902 -0.02478 0.00638 -0.00649 C2 1 0.506512 0.040917 0.277957 11.00000 0.09367 0.04530 = 0.06198 -0.01103 0.02583 -0.00980 C3 1 0.593002 0.057825 0.252914 11.00000 0.07120 0.07260 = 0.07825 -0.02851 0.00958 0.01449 C4 1 0.590343 0.118392 0.181011 11.00000 0.07101 0.09450 = 0.06538 -0.02701 0.03189 -0.02739 C5 1 0.501067 0.139086 0.157052 11.00000 0.12521 0.05045 = 0.03450 -0.00572 -0.00501 -0.01207 C6 1 0.347872 0.086864 0.215106 11.00000 0.06105 0.14226 = 0.16027 -0.10061 0.01219 -0.01041 AFIX 23 H6A 2 0.322340 0.132868 0.200453 11.00000 -1.20000 H6B 2 0.329070 0.069211 0.292996 11.00000 -1.20000 AFIX 0 C7 1 0.481147 -0.023388 0.346571 11.00000 0.20296 0.05259 = 0.10609 -0.00321 0.06059 -0.03206 AFIX 137 H7A 2 0.428140 -0.014324 0.387193 11.00000 -1.20000 H7B 2 0.528829 -0.035807 0.407797 11.00000 -1.20000 H7C 2 0.470291 -0.061055 0.288493 11.00000 -1.20000 AFIX 0 C8 1 0.674082 0.014628 0.286655 11.00000 0.11129 0.16518 = 0.18009 -0.08559 -0.00906 0.07237 AFIX 137 H8A 2 0.676338 -0.022922 0.228094 11.00000 -1.20000 H8B 2 0.671655 -0.004029 0.369015 11.00000 -1.20000 H8C 2 0.726378 0.043063 0.284547 11.00000 -1.20000 AFIX 0 C9 1 0.669041 0.148192 0.121721 11.00000 0.13457 0.16740 = 0.11669 -0.03878 0.07110 -0.08606 AFIX 137 H9A 2 0.652863 0.192302 0.084138 11.00000 -1.20000 H9B 2 0.686409 0.116695 0.058991 11.00000 -1.20000 H9C 2 0.717937 0.154546 0.184300 11.00000 -1.20000 AFIX 0 C10 1 0.467126 0.197429 0.076592 11.00000 0.27314 0.08582 = 0.06234 0.00122 -0.05690 0.01221 AFIX 137 H10A 2 0.406341 0.206965 0.091114 11.00000 -1.20000 H10B 2 0.470191 0.185062 -0.009315 11.00000 -1.20000 H10C 2 0.502802 0.238151 0.095724 11.00000 -1.20000 AFIX 0 C11 1 0.316040 0.037536 0.106870 11.00000 0.07770 0.26649 = 0.32420 -0.22618 -0.04565 0.02030 AFIX 23 H11A 2 0.364337 0.033532 0.053460 11.00000 -1.20000 H11B 2 0.307935 -0.008207 0.142517 11.00000 -1.20000 AFIX 0 C12 1 0.243553 0.052043 0.035234 11.00000 0.24227 0.14681 = 0.15398 -0.08842 -0.04846 0.05244 AFIX 23 H12A 2 0.249104 0.098817 0.002633 11.00000 -1.20000 H12B 2 0.193586 0.052099 0.086141 11.00000 -1.20000 AFIX 0 C13 1 0.149748 0.016104 -0.133794 11.00000 0.10628 0.29020 = 0.13983 -0.00696 0.00301 0.04975 AFIX 137 H13A 2 0.161403 0.023687 -0.218953 11.00000 -1.20000 H13B 2 0.120727 0.056358 -0.103244 11.00000 -1.20000 H13C 2 0.111878 -0.023874 -0.128974 11.00000 -1.20000 AFIX 0 C14 1 0.405032 0.332682 0.534969 11.00000 0.03468 0.04302 = 0.06791 0.00321 -0.00079 0.00329 C15 1 0.403679 0.297301 0.652038 11.00000 0.04282 0.05482 = 0.04622 -0.00095 -0.00453 0.00880 C16 1 0.350925 0.235250 0.630799 11.00000 0.04134 0.04578 = 0.05295 0.00056 0.01064 0.00375 C17 1 0.317315 0.235035 0.502166 11.00000 0.03452 0.05392 = 0.04899 -0.00552 0.00422 0.00290 C18 1 0.350457 0.294177 0.443146 11.00000 0.02945 0.06505 = 0.05526 0.00486 -0.00585 0.00455 C19 1 0.445886 0.402116 0.515943 11.00000 0.04215 0.04078 = 0.12545 0.00649 0.00438 0.00024 AFIX 23 H19A 2 0.459033 0.406411 0.429718 11.00000 -1.20000 H19B 2 0.501651 0.405678 0.568163 11.00000 -1.20000 AFIX 0 C20 1 0.443632 0.321831 0.775039 11.00000 0.07281 0.07775 = 0.05991 -0.02735 -0.00491 0.00901 AFIX 137 H20A 2 0.475006 0.284095 0.817954 11.00000 -1.20000 H20B 2 0.397344 0.338095 0.823545 11.00000 -1.20000 H20C 2 0.484441 0.359201 0.763342 11.00000 -1.20000 AFIX 0 C21 1 0.325326 0.186169 0.729415 11.00000 0.07538 0.06633 = 0.07754 0.01592 0.03402 0.01121 AFIX 137 H21A 2 0.282230 0.208103 0.777075 11.00000 -1.20000 H21B 2 0.377260 0.174215 0.783532 11.00000 -1.20000 H21C 2 0.300056 0.144681 0.690944 11.00000 -1.20000 AFIX 0 C22 1 0.250099 0.184379 0.446746 11.00000 0.04430 0.07847 = 0.07658 -0.01392 0.00914 -0.01118 AFIX 137 H22A 2 0.246440 0.187720 0.357463 11.00000 -1.20000 H22B 2 0.192951 0.194762 0.475191 11.00000 -1.20000 H22C 2 0.267565 0.137990 0.471846 11.00000 -1.20000 AFIX 0 C23 1 0.326019 0.317024 0.312971 11.00000 0.04707 0.11343 = 0.07451 0.03127 -0.01793 0.00523 AFIX 137 H23A 2 0.271892 0.343671 0.309350 11.00000 -1.20000 H23B 2 0.317342 0.276900 0.259998 11.00000 -1.20000 H23C 2 0.373004 0.345293 0.285292 11.00000 -1.20000 AFIX 0 C24 1 0.383039 0.462699 0.548141 11.00000 0.05284 0.06083 = 0.18833 0.02029 0.01607 0.00825 AFIX 23 H24A 2 0.327268 0.458892 0.495998 11.00000 -1.20000 H24B 2 0.369884 0.458181 0.634327 11.00000 -1.20000 AFIX 0 C25 1 0.422103 0.531748 0.529939 11.00000 0.09255 0.04652 = 0.17681 0.02048 0.00673 0.02001 AFIX 23 H25A 2 0.439988 0.535081 0.445815 11.00000 -1.20000 H25B 2 0.377614 0.567390 0.539881 11.00000 -1.20000 AFIX 0 C26 1 0.534538 0.606694 0.595642 11.00000 0.22188 0.07033 = 0.15625 -0.02218 0.01959 -0.03992 AFIX 137 H26A 2 0.489110 0.640536 0.572344 11.00000 -1.20000 H26B 2 0.573505 0.602494 0.530209 11.00000 -1.20000 H26C 2 0.568265 0.621333 0.671046 11.00000 -1.20000 AFIX 0 C27 1 0.483315 0.123118 0.523037 11.00000 0.05096 0.04336 = 0.04218 0.00645 0.00890 0.00071 AFIX 23 H27A 2 0.427947 0.097206 0.510061 11.00000 -1.20000 H27B 2 0.522344 0.104890 0.592033 11.00000 -1.20000 AFIX 0 C28 1 0.545591 0.251155 0.374420 11.00000 0.05051 0.03930 = 0.04825 0.00214 0.00864 -0.00523 AFIX 23 H28A 2 0.514310 0.274956 0.304001 11.00000 -1.20000 H28B 2 0.603429 0.271718 0.398524 11.00000 -1.20000 AFIX 0 HKLF 4 REM sample5 REM R1 = 0.0333 for 6864 Fo > 4sig(Fo) and 0.0404 for all 7672 data REM 371 parameters refined using 2 restraints END WGHT 0.0366 3.6135 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.733, deepest hole -0.426, 1-sigma level 0.077 Q1 1 0.4617 0.2697 0.5456 11.00000 0.05 0.73 Q2 1 0.5808 0.1331 0.3198 11.00000 0.05 0.71 Q3 1 0.4829 0.2687 0.5021 11.00000 0.05 0.64 Q4 1 0.5077 0.1373 0.4190 11.00000 0.05 0.62 Q5 1 0.5090 0.2362 0.4803 11.00000 0.05 0.61 ; _shelx_res_checksum 21888 _shelx_hkl_file ; 0 0 2 1996.88 63.14 0 0 -2 1753.70 55.48 0 0 3 -0.39 0.49 0 0 -3 1.93 0.54 0 0 -3 0.25 0.51 0 0 4 538.75 17.41 0 0 -4 574.91 18.52 0 0 5 0.42 0.79 0 0 -5 0.11 0.72 0 0 6 1318.23 42.18 0 0 -6 1360.41 43.48 0 0 7 -0.81 1.25 0 0 -7 -1.43 1.26 0 0 8 875.41 28.47 0 0 -8 858.94 27.91 0 0 9 0.44 1.40 0 0 -9 -2.10 1.42 0 0 10 37.00 2.54 0 0 -10 39.42 2.46 0 0 11 0.20 1.68 0 0 -11 -2.25 1.71 0 0 12 132.28 5.57 0 0 -12 109.99 4.32 0 0 -12 131.68 5.05 0 0 13 -0.53 2.07 0 0 13 -3.51 1.32 0 0 -13 -1.88 1.04 0 0 -13 -0.46 0.98 0 0 -13 1.16 1.89 0 0 14 95.90 4.82 0 0 -14 109.36 5.01 0 -2 2 1065.81 38.53 0 -2 2 1295.93 38.39 0 2 -2 1237.49 39.17 0 -2 3 171.01 5.83 0 -2 3 171.47 5.64 0 2 3 169.71 5.58 0 2 -3 133.37 4.51 0 2 -3 137.04 4.72 0 2 4 79.84 2.93 0 -2 4 85.87 3.18 0 2 -4 93.69 3.36 0 2 -4 99.01 3.65 0 2 5 491.98 15.95 0 -2 5 494.49 16.20 0 2 -5 486.09 15.74 0 -2 6 589.38 19.25 0 2 6 584.26 19.00 0 2 -6 614.31 19.88 0 2 7 448.54 14.38 0 -2 7 417.21 14.61 0 -2 -7 449.68 14.72 0 2 -7 432.37 14.47 0 2 8 460.91 15.25 0 -2 8 458.08 15.52 0 -2 -8 440.09 14.85 0 2 -8 441.74 14.62 0 2 9 153.88 5.93 0 -2 9 166.46 6.29 0 -2 -9 163.97 5.85 0 2 -9 165.92 5.59 0 2 10 57.26 2.91 0 -2 10 57.07 3.28 0 2 -10 50.05 2.65 0 2 -10 42.87 1.86 0 2 11 59.54 3.00 0 -2 11 46.42 3.34 0 2 -11 32.15 1.48 0 2 -11 38.87 1.55 0 -2 12 36.35 2.91 0 2 12 40.57 2.68 0 -2 -12 38.89 2.87 0 2 -12 37.94 2.55 0 -2 -12 38.59 5.47 0 2 13 37.13 2.98 0 -2 13 43.16 3.26 0 -2 -13 45.16 3.20 0 2 -13 52.96 3.02 0 -2 -13 43.61 6.16 0 -2 14 46.94 3.55 0 2 -14 45.20 3.02 0 -2 -14 47.28 6.60 0 -2 -14 42.70 3.21 0 -4 0 267.50 8.54 0 4 0 259.00 8.53 0 4 -1 1246.32 39.47 0 4 -1 1206.69 39.55 0 -4 -1 1257.55 39.34 0 -4 2 1012.41 32.14 0 4 -2 996.24 31.63 0 -4 3 1407.72 44.20 0 -4 3 1379.79 44.26 0 -4 4 555.14 17.01 0 -4 4 546.33 16.51 0 -4 4 537.41 16.66 0 4 -4 540.46 16.65 0 4 -4 475.34 16.93 0 -4 5 636.63 20.33 0 4 5 621.88 19.78 0 -4 5 611.95 19.95 0 -4 5 615.82 19.74 0 4 -5 623.06 20.07 0 4 6 147.38 4.95 0 -4 6 139.27 5.49 0 -4 6 143.67 4.82 0 4 -6 151.92 5.23 0 -4 -6 139.40 5.85 0 -4 7 252.48 8.55 0 -4 7 274.22 9.39 0 4 7 278.01 8.79 0 4 -7 293.08 9.71 0 -4 -7 277.93 10.39 0 -4 8 395.11 12.61 0 4 8 375.99 11.90 0 -4 -8 406.10 14.32 0 4 -8 403.82 13.43 0 4 9 43.63 2.08 0 -4 9 42.37 2.76 0 -4 -9 39.22 4.09 0 -4 -9 43.65 2.76 0 4 -9 42.73 2.33 0 4 10 284.98 9.65 0 -4 10 272.26 10.31 0 -4 -10 294.77 10.13 0 -4 -10 269.97 11.11 0 4 -10 272.94 9.69 0 -4 11 18.64 2.52 0 -4 -11 20.66 2.31 0 -4 -11 22.58 4.69 0 4 -11 22.12 1.97 0 -4 12 12.42 2.41 0 4 -12 18.41 1.92 0 -4 -12 14.59 2.27 0 -4 -12 16.90 5.11 0 4 13 28.96 3.53 0 -4 13 26.34 3.00 0 4 -13 31.88 2.43 0 -4 -13 29.86 2.91 0 -4 -13 30.99 5.96 0 -4 14 5.79 2.53 0 -4 -14 4.55 2.37 0 -4 -14 8.51 6.12 0 -4 15 7.21 2.87 0 -6 0 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3.96 2 -8 8 104.68 4.82 -2 -8 -8 119.91 6.19 2 -8 9 86.69 3.39 2 -8 9 88.93 4.49 2 -8 9 83.31 4.84 -2 -8 -9 86.12 5.82 2 -8 10 8.74 2.33 2 -8 10 5.31 1.03 -2 -8 -10 3.25 2.18 -2 -8 -10 1.24 4.53 2 -8 11 128.80 5.50 2 -8 11 95.53 3.59 -2 -8 -11 135.93 6.17 -2 -8 -11 139.73 7.77 2 -8 12 4.90 2.71 -2 -8 -12 11.73 5.64 -2 -8 -12 3.78 2.50 2 -8 13 13.54 2.97 -2 -8 -13 11.91 2.86 -2 -8 -13 10.10 6.16 2 -8 14 28.70 3.66 -2 -8 -14 32.60 3.56 2 -10 -14 18.76 3.22 -2 -10 13 23.06 3.39 -2 10 13 25.16 4.96 -2 10 12 52.84 5.45 -2 -10 12 58.41 4.19 -2 -10 11 111.91 5.62 -2 10 11 109.67 6.29 -2 -10 10 86.40 4.84 -2 10 10 85.31 5.59 -2 -10 9 73.60 4.26 -2 10 9 76.27 5.13 -2 10 8 57.25 4.30 -2 -10 8 54.30 3.56 -2 10 7 149.40 6.38 -2 -10 7 154.95 6.10 -2 -10 7 135.52 5.05 2 -10 -6 108.17 5.12 -2 10 6 124.59 5.78 -2 -10 6 129.43 4.51 -2 -10 6 130.93 4.70 2 10 -5 362.35 12.03 2 -10 -5 371.21 12.75 -2 -10 5 399.21 13.22 -2 10 5 403.58 13.94 -2 10 5 411.26 13.92 2 10 -4 443.75 13.29 2 10 -4 432.44 12.58 -2 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33.61 5.61 5 17 -6 157.40 4.77 5 17 -6 161.65 7.48 -5 -17 6 161.87 6.36 -5 17 6 170.42 8.43 -5 -17 6 187.20 7.50 -5 17 6 174.08 7.35 5 17 -5 17.00 1.97 5 17 -5 16.55 5.03 5 -17 -5 17.03 1.35 -5 17 5 18.67 4.77 -5 -17 5 16.98 2.51 -5 17 5 15.12 2.42 -5 -17 5 18.00 2.10 5 -17 -4 2.66 1.24 5 17 -4 5.54 1.80 5 17 -4 3.05 4.55 -5 17 4 0.09 2.06 -5 17 4 3.82 4.18 -5 -17 4 3.53 1.72 5 -17 -3 17.03 1.83 5 17 -3 19.61 4.39 -5 17 3 21.02 2.41 -5 -17 3 21.46 2.26 5 17 -2 206.65 8.68 5 -17 -2 197.98 7.41 -5 17 2 226.07 8.65 -5 -17 2 218.80 8.45 5 -17 -1 63.31 3.36 5 17 -1 64.66 4.96 -5 17 1 63.03 3.63 -5 -17 1 63.40 3.56 5 -17 0 192.52 7.37 5 17 0 188.76 8.01 -5 17 0 197.23 8.27 -5 -17 0 186.25 7.55 5 17 1 47.54 3.29 5 -17 1 50.31 3.13 5 17 1 49.14 4.13 -5 17 -1 48.41 4.05 -5 -17 -1 50.38 3.32 5 17 2 20.70 3.20 5 -17 2 25.10 2.46 5 17 2 17.65 2.48 5 17 3 13.15 2.69 5 -17 3 11.85 4.49 5 17 3 14.31 2.47 5 -17 3 11.68 2.43 5 17 4 195.73 7.66 5 -17 4 173.80 7.59 5 -17 4 178.48 8.60 5 -17 5 65.01 4.12 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33.69 5.09 8 14 -5 37.91 4.98 -8 14 5 32.13 4.70 -8 -14 5 33.48 1.55 8 14 -4 104.15 6.46 -8 -14 4 102.67 3.98 -8 14 4 108.06 4.77 8 14 -3 133.69 6.98 -8 -14 3 126.90 5.47 -8 14 3 129.87 5.39 -8 -14 3 123.14 4.84 8 14 -2 191.13 8.34 -8 -14 2 180.26 7.48 -8 14 2 203.88 7.38 8 14 -1 184.99 8.06 -8 14 1 192.44 7.17 -8 -14 1 178.53 7.40 8 -14 0 80.83 4.18 8 14 0 86.26 5.23 -8 -14 0 81.98 4.17 -8 14 0 76.98 3.79 8 14 1 64.87 4.59 8 -14 1 64.17 3.66 8 -14 1 60.04 4.92 8 14 1 69.61 3.59 -8 -14 -1 65.25 3.70 8 14 2 44.48 3.02 8 -14 2 36.08 4.61 8 -14 2 36.36 2.89 -8 -14 -2 41.68 3.04 8 -14 3 108.76 5.05 8 -14 3 103.74 6.29 8 14 3 104.78 4.91 8 -14 3 107.45 5.50 8 14 3 112.11 5.39 8 -14 4 115.48 6.73 8 14 4 114.32 5.09 8 -14 4 100.62 5.33 8 14 4 117.17 5.17 8 -14 4 103.99 5.08 -8 -14 -4 108.37 5.13 -8 -14 -4 99.45 5.09 8 14 5 58.78 3.60 8 -14 5 62.16 3.62 8 -14 5 64.03 3.91 8 -14 5 57.20 5.55 8 14 5 57.36 3.54 -8 -14 -5 52.60 3.66 -8 -14 -5 52.83 3.58 8 -14 6 20.15 2.38 8 14 6 18.29 2.58 8 14 6 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13.95 2.96 -10 -18 -6 14.37 3.06 10 -18 7 37.03 7.10 10 -18 7 39.86 3.70 10 -18 8 40.90 7.15 10 -18 8 46.49 3.73 -10 -20 7 14.95 2.48 10 20 -6 53.87 7.48 10 20 -5 -3.69 6.77 10 20 -4 45.83 7.42 -10 20 4 52.49 3.72 10 20 -3 8.72 6.22 -10 20 3 10.52 2.60 -10 -20 3 12.81 2.22 10 20 -2 2.25 5.88 -10 -20 2 0.42 1.92 -10 20 2 -0.46 2.17 -10 -20 2 1.29 2.27 10 20 -1 26.53 5.96 -10 20 1 24.27 2.80 -10 -20 1 30.49 2.79 -10 -20 1 26.25 3.20 10 20 0 49.13 3.79 10 -20 0 43.74 6.31 10 20 0 49.07 5.93 -10 20 0 47.26 3.49 -10 -20 0 46.96 3.79 -10 -20 0 55.91 3.54 10 -20 1 4.03 2.64 10 20 1 9.43 5.10 10 20 1 8.54 2.63 10 -20 1 2.48 5.90 -10 -20 -1 6.56 2.59 -10 20 -1 8.01 2.34 -10 -20 -1 4.65 2.48 10 20 2 55.09 5.43 10 20 2 65.71 4.29 10 -20 2 60.56 4.25 10 -20 2 50.01 6.03 10 -20 2 51.82 7.11 -10 -20 -2 58.41 4.24 -10 -20 -2 56.97 4.04 -10 20 -2 54.26 3.61 10 -20 3 4.13 4.96 10 -20 3 7.47 2.87 10 20 3 6.16 4.58 10 -20 3 1.44 6.25 10 20 3 7.76 2.58 -10 -20 -3 -0.22 2.91 -10 -20 -3 1.48 2.70 10 -20 4 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2.93 10 22 4 18.98 3.27 10 24 -3 -0.10 3.43 10 24 -3 3.67 7.21 -10 24 3 0.11 2.68 10 24 -2 33.08 7.20 -10 24 2 42.78 3.86 -10 24 1 4.74 2.64 10 -24 0 20.98 3.15 -10 24 0 22.38 3.13 10 -24 1 1.04 2.80 -10 24 -1 -0.11 2.56 -10 -24 -1 -0.10 2.66 -10 24 -2 -0.22 2.65 -10 -24 -2 1.15 2.69 11 1 -14 9.19 3.63 11 1 -13 46.40 4.28 11 -1 -13 36.70 5.14 11 -1 -13 45.37 3.94 11 -1 -12 7.10 2.64 11 -1 -12 4.72 3.72 11 1 -12 3.22 2.94 11 -1 -11 -3.61 2.44 11 -1 -11 0.25 0.84 11 1 -11 -6.06 3.08 11 -1 -11 -1.59 2.46 11 -1 -10 8.85 2.41 11 1 -10 11.52 3.11 11 -1 -10 4.60 2.49 11 -1 -10 8.55 1.15 11 -1 -9 135.35 5.44 11 1 -9 144.81 5.96 11 -1 -9 122.15 4.16 11 -1 -9 130.91 5.50 11 1 -8 44.01 2.10 11 -1 -8 57.14 3.66 11 1 -8 51.30 2.41 11 -1 -8 49.31 2.58 11 -1 -8 54.85 2.53 11 -1 -8 54.57 3.64 11 1 -8 52.17 3.96 11 -1 -7 331.44 10.84 11 1 -7 314.08 10.58 11 -1 -7 328.84 11.67 11 1 -7 303.94 10.77 11 1 -7 320.61 11.80 11 -1 -7 343.52 11.72 11 -1 -7 313.32 10.88 11 1 -6 37.97 2.14 11 -1 -6 37.41 3.23 11 1 -6 38.63 1.94 11 -1 -6 35.61 2.13 11 -1 -6 32.63 2.14 11 -1 -5 5.23 2.38 11 1 -5 6.81 1.13 11 -1 -5 5.30 1.27 11 -1 -5 6.81 1.35 11 -1 -4 78.05 3.29 11 1 -4 87.56 3.46 11 -1 -4 84.84 3.58 11 -1 -3 503.91 16.11 11 1 -3 486.90 16.47 11 -1 -3 493.36 16.60 -11 -1 3 498.20 16.98 11 -1 -2 172.60 5.53 11 1 -2 182.70 5.51 11 1 -1 739.22 24.24 11 -1 -1 737.08 24.24 -11 -1 1 723.18 23.76 11 1 0 8.26 1.74 11 -1 0 9.27 1.78 11 1 0 8.68 2.70 -11 -1 0 8.21 1.55 -11 -1 0 8.45 1.62 -11 1 0 4.99 1.43 -11 1 0 8.70 1.48 11 1 1 67.84 4.17 11 1 1 70.34 3.50 11 -1 1 67.88 4.19 11 -1 1 68.12 3.60 -11 1 -1 73.34 3.50 -11 1 -1 73.52 3.47 -11 -1 -1 72.73 3.46 -11 -1 -1 69.42 3.44 11 -1 2 11.56 2.35 11 -1 2 13.09 3.02 11 1 2 17.43 3.16 11 1 2 12.34 2.18 -11 1 -2 13.75 1.80 -11 -1 -2 17.22 1.77 -11 -1 -2 16.98 1.87 -11 1 -2 12.39 1.72 11 -1 3 186.52 7.28 11 1 3 184.40 7.43 11 1 3 181.23 7.22 -11 1 -3 176.90 6.65 -11 -1 -3 176.80 6.69 -11 -1 -3 170.14 6.76 -11 1 -3 165.76 6.78 11 1 4 117.13 5.55 11 -1 4 110.81 5.60 -11 -1 -4 112.69 4.87 -11 1 -4 108.64 4.45 -11 -1 -4 117.50 4.58 11 -1 5 677.95 22.64 -11 1 -5 583.84 19.70 -11 -1 -5 649.37 20.39 -11 -1 -5 583.13 19.78 -11 1 -5 653.54 20.32 11 -1 6 98.43 6.10 -11 1 -6 77.97 4.12 -11 -1 -6 90.64 4.09 -11 1 -6 85.59 3.99 -11 -1 -6 85.36 4.38 11 -1 7 146.64 7.68 -11 -1 -7 148.43 6.27 -11 1 -7 149.23 6.22 -11 -1 -7 132.71 5.58 -11 -1 -7 132.22 5.95 -11 1 -7 121.50 5.84 -11 1 -7 141.12 5.50 -11 -1 -8 8.89 3.56 -11 1 -8 3.61 1.53 -11 1 -8 3.99 3.46 -11 -1 -8 3.34 1.58 -11 1 -8 4.25 2.09 -11 -1 -8 3.97 2.17 -11 -1 -9 10.38 2.47 -11 1 -9 13.32 1.70 -11 -1 -9 14.09 1.88 -11 -1 -9 14.67 4.17 -11 1 -9 9.06 2.40 -11 1 -9 8.93 3.96 -11 -1 -10 3.20 4.44 -11 1 -10 9.03 1.69 -11 -1 -10 7.45 1.79 -11 -1 -10 8.36 2.71 -11 1 -10 8.36 2.73 -11 1 -10 9.06 4.66 11 1 11 121.38 5.80 11 -1 11 125.30 5.98 -11 -1 -11 108.80 7.23 -11 1 -11 102.46 7.06 -11 1 -11 129.05 6.46 -11 -1 -11 120.97 6.25 11 -1 12 14.25 3.13 11 -3 -13 5.49 2.55 11 -3 -13 5.23 2.72 11 3 -13 13.47 3.99 11 -3 -13 1.32 4.38 11 -3 -12 17.63 2.92 11 3 -12 17.81 3.94 11 -3 -12 25.41 2.99 11 -3 -12 17.23 3.97 11 -3 -11 40.36 3.19 11 -3 -11 35.42 2.22 11 3 -11 37.07 4.26 11 -3 -11 36.25 3.38 11 -3 -11 34.84 3.91 11 -3 -10 40.57 3.13 11 -3 -10 39.81 2.40 11 -3 -10 40.49 3.56 11 -3 -10 45.97 3.53 11 3 -10 43.06 4.27 11 -3 -9 37.47 2.34 11 -3 -9 37.90 3.06 11 -3 -9 42.47 3.14 11 -3 -9 40.64 3.50 11 3 -9 38.03 4.19 11 -3 -8 99.19 4.20 11 3 -8 91.31 3.73 11 -3 -8 107.18 4.98 11 3 -8 105.32 5.63 11 -3 -8 110.12 5.23 11 -3 -8 114.70 4.76 11 -3 -7 19.98 1.89 11 3 -7 18.78 3.37 11 -3 -7 20.75 3.00 11 3 -7 16.51 0.96 11 -3 -7 19.39 1.87 11 -3 -7 23.06 2.13 11 3 -7 19.02 1.53 11 3 -6 119.00 5.83 11 3 -6 106.49 4.11 11 -3 -6 120.30 4.72 11 -3 -6 125.53 5.63 11 -3 -6 122.97 4.77 11 -3 -6 120.68 4.68 11 3 -5 226.82 7.63 11 -3 -5 224.87 8.07 11 -3 -5 234.37 8.76 11 -3 -5 213.84 7.87 11 -3 -5 225.42 8.09 11 -3 -4 89.32 3.92 11 -3 -4 83.46 3.45 11 -3 -4 87.82 3.93 11 3 -4 92.60 3.53 -11 -3 4 86.37 4.12 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13 -13 4 31.01 3.11 13 13 4 32.98 2.67 13 -13 4 32.59 5.90 -13 -13 -4 40.07 3.34 13 -13 5 10.92 2.60 13 -13 5 5.83 5.68 -13 -13 -5 12.38 2.77 -13 -13 -5 10.68 2.87 13 -13 6 63.56 5.15 13 -13 6 83.95 4.62 13 -13 6 77.20 7.34 -13 -13 -6 73.82 4.86 -13 -13 -6 84.12 4.90 13 -13 7 14.78 2.80 13 -13 7 8.94 6.32 -13 -13 -7 10.32 3.01 -13 -13 -7 14.13 3.15 13 -13 8 26.36 3.27 -13 -13 -8 26.00 3.46 13 -13 9 0.10 2.73 -13 -15 8 15.32 2.65 13 15 -7 34.20 6.60 -13 -15 7 33.52 3.28 13 -15 -6 7.23 5.91 13 15 -6 4.00 6.13 -13 -15 6 1.38 2.50 13 15 -5 46.08 6.75 13 -15 -5 31.49 6.26 -13 -15 5 36.01 3.46 -13 -15 5 30.13 1.64 13 -15 -4 62.05 6.43 13 -15 -4 69.95 4.36 13 15 -4 72.78 7.21 13 -15 -4 65.38 5.84 -13 -15 4 63.52 3.02 13 -15 -3 3.72 2.40 13 15 -3 2.31 5.83 13 -15 -3 11.05 5.60 13 -15 -3 2.49 4.60 -13 -15 3 1.59 1.69 13 -15 -2 38.37 3.44 13 15 -2 41.46 6.35 13 -15 -2 29.98 6.05 13 -15 -2 27.96 5.33 -13 -15 2 37.26 2.59 13 -15 -1 39.95 5.58 13 -15 -1 33.18 5.92 13 15 -1 33.10 6.15 -13 -15 1 37.43 2.73 -13 15 1 37.28 2.54 13 -15 0 7.12 5.50 13 15 0 6.94 2.08 13 15 0 8.14 5.57 -13 15 0 9.04 1.73 -13 -15 0 4.82 2.13 13 15 1 36.24 2.95 13 -15 1 36.80 5.82 13 -15 1 41.80 3.61 13 15 1 35.77 5.73 -13 15 -1 40.57 2.53 -13 -15 -1 32.45 3.12 13 15 2 74.53 6.18 13 -15 2 69.72 6.76 13 -15 2 74.21 4.47 13 -15 2 65.51 6.09 13 15 2 69.35 3.90 -13 -15 -2 69.18 4.23 -13 15 -2 65.47 3.39 13 15 3 2.67 2.02 13 -15 3 0.65 4.99 13 -15 3 -0.47 5.65 13 15 3 3.45 4.99 13 -15 3 4.62 2.60 -13 -15 -3 5.09 2.61 -13 15 -3 2.80 1.73 13 -15 4 63.38 6.89 13 -15 4 65.03 4.31 13 15 4 68.60 5.56 13 15 4 68.39 3.91 -13 -15 -4 71.20 4.67 -13 -15 -4 72.31 4.47 13 -15 5 14.90 6.34 13 15 5 14.93 4.87 13 -15 5 19.52 2.90 -13 -15 -5 20.92 2.99 -13 -15 -5 15.98 3.08 13 -15 6 4.49 6.37 13 -15 6 12.09 2.77 -13 -15 -6 10.86 2.87 -13 -15 -6 6.78 2.87 13 -15 7 14.86 2.94 13 -15 8 19.56 3.17 -13 -17 7 4.02 2.47 13 -17 -6 6.78 6.21 13 17 -6 5.39 6.46 -13 -17 6 7.62 2.59 13 17 -5 8.47 6.55 13 -17 -5 11.18 6.49 -13 -17 5 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2 64.90 5.87 -18 -2 -2 64.11 4.17 -18 -2 -2 67.43 4.33 18 -2 3 39.61 5.50 18 -2 3 31.93 6.50 18 2 3 25.10 6.04 -18 -2 -3 38.19 3.67 -18 -2 -3 35.00 3.49 18 2 4 47.11 6.60 18 -2 4 52.23 6.28 18 -2 4 52.31 6.59 -18 -2 -4 44.05 3.90 -18 -2 -4 43.79 3.92 18 -2 5 4.95 5.76 18 -2 5 2.70 5.63 -18 -2 -5 2.53 2.87 -18 2 -5 7.74 3.00 -18 -2 -5 6.06 2.88 -18 -2 -6 41.22 3.83 -18 -2 -7 16.73 3.11 18 -4 -8 46.67 3.48 18 4 -8 43.23 5.54 18 4 -7 -2.28 5.75 18 4 -7 0.49 4.84 18 -4 -7 0.08 2.25 18 -4 -7 0.62 2.46 18 4 -7 3.03 2.06 18 -4 -6 23.59 2.76 18 -4 -6 28.58 3.02 18 4 -6 20.50 6.01 18 -4 -5 16.35 2.69 18 -4 -5 15.50 2.75 18 4 -5 19.25 5.13 18 -4 -4 1.45 2.43 18 -4 -4 3.21 2.40 18 4 -4 8.25 5.24 18 -4 -3 24.22 3.27 18 -4 -3 20.47 3.00 -18 -4 3 17.56 3.16 18 -4 -2 125.43 6.19 18 -4 -1 2.42 3.63 18 4 -1 1.27 5.21 -18 -4 1 -2.36 2.79 18 -4 0 68.28 5.35 18 4 0 72.09 6.49 18 -4 0 63.78 6.71 -18 -4 0 77.66 4.65 -18 -4 0 73.93 4.25 18 4 1 8.24 5.59 18 -4 1 3.06 5.63 18 -4 1 11.30 4.44 -18 -4 -1 9.85 2.48 -18 -4 -1 11.70 2.54 18 4 2 -1.83 5.47 18 -4 2 0.32 5.76 18 -4 2 1.35 4.65 -18 -4 -2 4.70 2.58 -18 -4 -2 0.85 2.23 18 -4 3 21.86 5.56 18 4 3 24.71 6.23 18 -4 3 26.88 6.17 -18 -4 -3 20.80 3.18 -18 -4 -3 23.10 3.17 18 -4 4 77.71 6.89 18 -4 4 79.31 6.86 -18 -4 -4 75.61 4.91 -18 -4 -4 73.63 4.84 18 -4 5 1.48 5.76 -18 -4 -5 2.81 2.89 -18 -4 -5 7.78 3.10 18 -4 6 72.12 7.02 -18 -4 -6 95.35 5.52 -18 -4 -7 11.17 2.97 18 -6 -8 33.50 3.35 18 -6 -7 29.77 3.28 18 -6 -7 35.16 3.27 18 6 -7 37.06 5.50 18 6 -6 6.98 6.19 18 6 -6 9.20 4.88 18 -6 -6 6.47 2.58 18 -6 -6 11.26 2.65 18 -6 -5 4.98 2.40 18 -6 -5 3.25 2.82 18 6 -5 7.56 4.86 18 -6 -4 0.82 2.51 18 6 -4 -1.06 5.02 18 -6 -4 2.27 2.83 -18 -6 4 3.14 2.54 18 -6 -3 26.83 3.19 18 -6 -3 20.89 3.61 18 6 -3 20.10 5.41 -18 -6 3 24.70 3.27 18 -6 -2 58.76 4.72 18 -6 -2 59.80 4.21 -18 -6 2 61.03 4.52 18 -6 -1 85.79 5.61 18 -6 -1 87.64 5.09 -18 -6 1 83.38 4.54 18 6 0 28.23 5.62 18 -6 0 26.10 4.78 -18 -6 0 29.29 3.06 -18 -6 0 33.11 3.53 18 -6 1 14.69 6.33 18 6 1 19.96 5.77 18 -6 1 19.43 4.87 -18 -6 -1 19.40 2.82 -18 -6 -1 21.28 3.07 18 -6 2 0.43 5.99 18 6 2 7.48 5.63 18 -6 2 -4.01 5.08 -18 -6 -2 0.12 2.47 -18 -6 -2 2.36 2.44 18 -6 3 13.34 6.23 18 -6 3 10.16 5.55 -18 -6 -3 14.00 2.95 -18 -6 -3 14.40 2.97 18 -6 4 45.10 6.49 18 -6 4 40.95 6.34 -18 -6 -4 49.98 4.15 -18 -6 -4 50.81 4.21 18 -6 5 66.08 6.95 -18 -6 -5 75.56 5.04 -18 -6 -6 47.68 4.28 18 -8 -8 -2.08 2.70 18 -8 -7 45.85 3.79 18 -8 -7 38.40 3.82 18 -8 -6 15.77 3.25 18 8 -6 19.09 5.08 18 -8 -6 12.48 2.95 18 -8 -5 4.63 2.61 18 8 -5 4.58 6.04 18 -8 -5 3.32 3.13 18 8 -5 2.18 5.02 -18 -8 5 -0.62 2.68 18 -8 -4 35.07 3.48 18 8 -4 43.39 6.77 18 8 -4 34.30 5.68 18 -8 -4 31.01 4.03 -18 -8 4 36.44 3.66 18 -8 -3 34.69 4.39 18 8 -3 37.12 5.66 18 -8 -3 36.41 3.50 -18 -8 3 34.75 3.56 18 -8 -2 5.67 4.20 18 -8 -2 3.46 2.66 18 8 -2 4.65 5.18 -18 -8 2 5.24 2.72 -18 -8 2 4.38 2.17 18 -8 -1 103.97 5.66 18 -8 -1 108.37 6.58 -18 -8 1 97.24 4.90 18 8 0 4.88 5.43 18 -8 0 12.79 4.65 18 -8 0 10.59 2.85 -18 -8 0 10.11 2.53 18 -8 1 11.84 4.97 18 -8 1 12.74 3.00 -18 -8 -1 10.63 2.96 -18 -8 -1 14.53 2.77 18 -8 2 19.83 5.67 18 -8 2 9.71 6.11 -18 -8 -2 19.15 2.93 -18 -8 -2 18.65 3.02 18 -8 3 19.93 3.22 18 -8 3 21.87 6.04 18 -8 3 15.90 6.23 -18 -8 -3 21.85 3.29 -18 -8 -3 26.85 3.33 18 -8 4 13.43 6.01 -18 -8 -4 16.71 3.32 -18 -8 -4 14.80 3.21 18 -8 5 90.36 7.63 18 -10 -7 -1.74 2.95 18 -10 -7 9.13 3.20 18 -10 -6 17.82 3.13 18 -10 -6 15.89 3.60 18 -10 -5 29.88 4.40 18 -10 -5 37.00 3.65 18 10 -5 27.08 5.26 -18 -10 5 27.37 3.56 18 10 -4 39.60 7.09 18 -10 -4 43.46 3.76 18 -10 -4 37.56 6.48 18 10 -4 38.12 5.66 18 -10 -4 35.31 4.73 -18 -10 4 45.77 4.03 18 10 -3 41.29 7.21 18 -10 -3 38.94 4.98 18 10 -3 39.70 5.79 18 -10 -3 46.09 3.88 -18 -10 3 51.37 4.13 18 10 -2 17.50 5.51 18 -10 -2 18.09 3.07 18 10 -2 11.82 6.49 18 -10 -2 16.05 4.71 -18 -10 2 21.18 2.58 -18 -10 2 18.20 3.18 18 -10 -1 14.96 4.93 18 -10 -1 12.74 3.05 -18 -10 1 13.98 3.04 -18 -10 1 12.63 2.52 18 -10 0 22.59 3.27 18 -10 0 23.08 5.42 -18 -10 0 18.52 2.86 18 -10 1 32.62 5.74 -18 -10 -1 33.40 3.59 -18 -10 -1 30.59 3.19 -18 -10 -2 20.00 2.98 -18 -10 -2 18.43 3.33 18 -10 3 37.63 6.78 -18 -10 -3 42.73 3.74 18 -10 4 14.49 6.23 18 -12 -5 43.46 5.39 18 -12 -4 5.71 4.83 18 -12 -3 71.40 6.20 18 -12 -2 0.87 5.04 18 12 -2 6.77 7.03 18 12 -1 1.90 6.66 -18 -12 1 -0.52 2.27 18 12 0 -6.76 6.80 -18 -12 0 -0.76 2.41 -18 -12 -1 38.45 3.53 -18 -12 -2 -1.22 2.78 -18 -12 -3 44.09 4.09 18 14 1 11.76 7.23 -18 -14 -1 17.00 2.99 18 14 2 16.56 7.37 -18 -14 -2 6.45 2.87 19 -1 -7 -2.51 2.48 19 1 -7 -1.16 2.14 19 1 -6 15.09 2.66 19 -1 -6 12.49 2.73 19 -1 -6 10.65 2.50 19 1 -5 100.00 7.50 19 -1 -5 103.75 5.35 19 1 -5 98.12 4.79 19 -1 -5 99.00 4.93 19 -1 -5 99.15 7.48 19 1 -4 16.33 2.79 19 -1 -4 23.09 2.98 19 1 -4 12.68 6.01 19 -1 -3 111.29 7.93 19 1 -3 117.40 5.67 19 -1 -3 124.20 5.77 19 1 -2 11.33 5.68 19 1 -2 3.54 2.76 19 -1 -2 10.44 5.76 19 -1 -2 7.08 3.01 19 1 -1 4.33 5.75 19 1 -1 5.11 2.99 19 -1 -1 6.20 5.63 19 -1 -1 5.00 3.26 19 1 0 6.74 5.83 19 1 0 1.74 3.39 19 -1 0 5.31 5.83 19 -1 0 2.54 3.70 19 -1 1 35.08 6.62 19 -1 1 38.35 5.05 19 1 1 33.50 4.64 19 1 1 35.81 6.59 -19 -1 -1 49.58 3.98 19 1 2 20.62 4.79 19 -1 2 19.21 5.00 19 1 2 25.27 6.42 19 -1 2 16.77 6.27 -19 -1 -2 19.01 3.27 19 -1 3 145.33 8.01 19 1 3 126.65 8.70 19 -1 3 126.62 8.67 -19 -1 -3 135.82 6.62 -19 -1 -3 129.41 6.60 19 -1 4 11.16 6.21 19 1 4 6.20 6.19 -19 -1 -4 8.03 3.06 -19 -1 -4 9.58 3.13 19 -1 5 28.04 6.82 -19 -1 -5 29.29 3.59 -19 -1 -6 3.54 2.71 19 -3 -7 22.95 3.10 19 -3 -6 21.15 2.92 19 -3 -6 18.86 2.78 19 -3 -5 24.82 3.17 19 3 -5 25.50 5.96 19 -3 -5 25.17 3.07 19 -3 -4 63.45 4.23 19 -3 -4 65.07 4.18 19 -3 -3 40.66 3.67 19 3 -3 30.44 3.15 19 -3 -3 34.94 3.52 19 3 -2 9.81 2.78 19 -3 -2 22.64 3.66 19 -3 -2 16.01 5.92 19 -3 -1 48.10 6.46 19 3 -1 35.66 6.16 19 -3 -1 43.07 4.39 -19 -3 1 52.09 4.08 19 3 0 15.06 5.83 19 -3 0 4.33 4.17 19 -3 0 5.77 5.91 -19 -3 0 9.40 2.67 19 -3 1 32.41 5.07 19 -3 1 37.26 6.39 19 3 1 44.13 6.47 -19 -3 -1 42.96 3.59 -19 -3 -1 43.25 3.83 19 3 2 36.07 6.44 19 -3 2 48.83 5.91 19 -3 2 48.73 6.85 -19 -3 -2 48.00 4.05 -19 -3 -2 45.59 3.82 19 3 3 39.57 6.77 19 -3 3 34.58 6.49 19 -3 3 44.24 6.04 -19 -3 -3 35.29 3.82 -19 -3 -3 35.73 3.72 19 -3 4 30.97 6.68 -19 -3 -4 30.81 3.83 19 -3 5 46.39 6.63 -19 -3 -5 50.40 4.31 19 -5 -7 45.57 3.79 19 -5 -6 8.73 2.67 19 -5 -6 9.90 2.73 19 -5 -5 19.01 3.06 19 -5 -5 23.09 3.09 19 5 -5 20.41 5.70 19 5 -4 4.58 5.30 19 -5 -4 4.47 2.67 19 -5 -4 3.46 2.85 19 5 -3 17.26 5.75 19 -5 -3 23.36 3.27 19 -5 -3 26.74 3.66 -19 -5 3 25.16 3.36 19 -5 -2 16.39 3.15 19 -5 -2 14.75 3.96 19 -5 -1 67.97 5.30 19 5 -1 64.04 6.79 19 5 0 21.45 5.88 19 -5 0 13.51 6.09 19 -5 0 25.25 4.79 -19 -5 0 23.60 2.90 -19 -5 0 22.65 3.31 19 -5 1 18.64 5.01 19 -5 1 18.35 6.17 19 5 1 15.67 5.61 -19 -5 -1 28.28 3.41 19 -5 2 10.71 5.35 19 -5 2 7.28 6.30 19 5 2 4.38 6.10 -19 -5 -2 6.58 2.88 -19 -5 -2 7.06 2.73 19 -5 3 6.54 6.36 -19 -5 -3 5.61 2.74 -19 -5 -3 4.18 2.94 19 -5 4 23.69 6.66 -19 -5 -4 17.61 3.53 19 -5 5 59.40 7.02 19 -7 -7 9.21 2.95 19 -7 -6 50.32 3.95 19 -7 -6 43.11 3.90 19 -7 -5 6.37 3.15 19 -7 -5 6.72 2.82 19 -7 -4 -1.67 3.41 19 -7 -4 -1.00 2.73 -19 -7 4 0.13 2.77 19 7 -3 9.33 5.70 19 -7 -3 9.72 2.94 19 -7 -3 13.02 3.65 -19 -7 3 15.25 3.13 19 -7 -2 58.96 5.29 19 -7 -2 59.34 4.35 -19 -7 2 67.22 4.65 19 -7 -1 13.67 3.06 19 -7 -1 11.33 4.44 -19 -7 1 7.19 2.41 19 7 0 43.60 6.39 19 -7 0 50.87 4.17 19 -7 0 48.54 5.64 -19 -7 0 53.78 3.85 -19 -7 0 54.27 4.38 19 -7 1 2.67 2.81 19 7 1 4.58 5.68 19 -7 1 -7.96 6.79 19 -7 1 2.20 5.20 -19 -7 -1 3.06 2.54 -19 -7 -1 0.78 2.87 19 -7 2 3.76 6.43 -19 -7 -2 3.39 2.57 19 -7 3 9.63 6.56 -19 -7 -3 11.24 3.12 19 -7 4 22.04 6.67 19 -9 -6 17.99 3.29 19 -9 -6 14.46 3.65 19 -9 -5 23.14 3.35 19 -9 -5 24.22 3.98 19 -9 -4 11.36 3.99 19 -9 -4 10.89 3.06 19 -9 -3 38.84 4.81 19 -9 -3 36.99 3.80 19 -9 -2 38.69 3.87 19 -9 -2 40.76 5.34 19 -9 -1 6.84 4.91 -19 -9 1 4.24 2.35 19 -9 0 21.57 5.33 -19 -9 0 21.49 2.94 -19 -9 -1 16.38 2.87 19 -9 2 14.44 6.67 -19 -9 -2 16.71 3.15 19 -9 3 35.60 7.28 19 -9 4 25.61 6.66 -19 -11 0 6.14 2.47 -19 -11 -1 6.35 2.83 -19 -11 -2 61.43 4.61 19 -11 3 12.66 6.74 20 0 -6 5.91 2.62 20 0 -5 5.50 2.95 20 0 -4 129.23 6.03 20 0 -3 1.75 2.76 20 0 -2 43.50 4.00 20 0 -1 0.13 6.03 20 0 -1 1.45 3.32 20 0 0 -0.22 3.72 20 0 0 3.51 6.01 20 0 1 1.97 6.36 20 0 1 2.87 4.49 20 0 2 98.61 8.21 20 0 2 99.76 7.05 20 -2 -6 11.37 2.77 20 2 -6 19.25 2.92 20 -2 -5 27.55 3.24 20 -2 -5 33.67 3.62 20 -2 -4 66.55 4.43 20 2 -4 54.88 3.87 20 -2 -4 60.78 4.20 20 -2 -3 31.36 3.72 20 2 -3 24.81 3.19 20 -2 -2 21.06 3.73 20 2 -2 20.82 3.27 20 2 -1 4.13 3.12 20 -2 -1 3.01 3.59 20 -2 -1 2.02 5.97 20 2 0 10.67 3.89 20 -2 0 1.38 6.38 20 -2 0 7.71 4.21 20 -2 1 19.08 6.62 20 -2 1 14.99 5.04 -20 -2 -1 30.94 3.70 20 -2 2 57.97 7.46 20 -2 3 45.06 7.42 20 -4 -6 71.66 4.59 20 -4 -5 7.74 2.98 20 -4 -5 7.68 2.89 20 -4 -4 12.18 3.00 20 -4 -4 8.79 3.21 20 -4 -3 27.11 3.42 20 -4 -3 30.28 3.92 20 -4 -2 19.44 3.35 20 -4 -2 22.44 3.95 20 -4 -1 4.05 4.03 20 -4 0 48.60 5.56 20 -4 0 44.34 7.00 20 -4 1 8.47 4.98 20 -4 1 1.23 6.69 -20 -4 -1 10.44 2.89 20 -4 2 19.74 6.76 -20 -4 -2 29.52 3.51 20 -4 3 33.08 6.93 20 -6 -6 35.37 3.72 20 -6 -5 28.16 3.59 20 -6 -5 28.41 3.50 20 -6 -4 0.80 2.78 20 -6 -4 6.67 3.39 20 -6 -3 -0.47 2.84 20 -6 -3 4.01 3.74 20 -6 -2 17.36 4.59 20 -6 -1 26.98 4.98 20 -6 0 19.11 5.32 -20 -6 0 21.51 3.13 -20 -6 -1 25.36 3.33 -20 -6 -2 13.57 3.11 20 -8 -5 27.87 4.12 20 -8 -4 20.17 4.13 20 -8 -3 -1.68 3.92 -20 -8 1 35.95 3.34 -20 -8 0 0.51 2.53 -20 -8 -1 40.76 3.82 -20 -10 -1 17.16 3.13 21 1 -5 12.71 3.20 21 -1 -5 11.26 3.26 21 -1 -4 2.54 3.03 21 1 -3 37.87 3.74 21 -1 -3 42.54 3.92 21 1 -2 3.14 3.15 21 -1 -2 8.56 3.44 21 1 -1 17.77 3.78 21 -1 -1 19.66 4.21 21 1 0 3.08 4.05 21 -1 0 7.12 4.45 21 -3 -4 23.55 3.52 21 -3 -3 9.97 3.46 21 -3 -2 16.08 4.10 21 -3 -1 11.32 4.19 21 -5 -4 6.96 3.42 21 -5 -3 1.12 3.78 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 34797 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 +X,+Y,+Z 2 +X,-Y,1/2+Z 3 1/2+X,1/2+Y,+Z 4 1/2+X,1/2-Y,1/2+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 Rh1 Rh 0.54403(3) 0.14501(2) 0.36436(3) 0.03867(10) Uani 1 1 d . . . . . Rh2 Rh 0.47015(2) 0.22921(2) 0.51884(3) 0.03614(9) Uani 1 1 d . . . . . S1 S 0.67559(12) 0.15106(12) 0.48892(19) 0.0735(5) Uani 1 1 d . . . . . S2 S 0.59976(10) 0.23113(11) 0.64527(17) 0.0629(4) Uani 1 1 d . . . . . O1 O 0.6984(5) 0.0934(4) 0.5636(8) 0.081(2) Uani 0.79 1 d . . P . . O2 O 0.7459(5) 0.1869(5) 0.4353(10) 0.115(3) Uani 0.98 1 d . . P . . O3 O 0.5957(4) 0.1944(4) 0.7598(5) 0.0826(16) Uani 1 1 d . . . . . O4 O 0.6490(5) 0.2937(5) 0.6447(8) 0.079(2) Uani 0.74 1 d . . P . . O5 O 0.6644(14) 0.1584(15) 0.616(2) 0.064(6) Uani 0.21 1 d . . P . . O6 O 0.6843(10) 0.2221(10) 0.5774(15) 0.058(4) Uani 0.28 1 d . . P . . O7 O 0.2234(8) 0.0056(8) -0.0674(13) 0.191(6) Uani 1 1 d . . . . . O8 O 0.4955(6) 0.5433(4) 0.6147(8) 0.108(2) Uani 1 1 d . . . . . C1 C 0.4474(5) 0.0907(4) 0.2220(6) 0.0601(16) Uani 1 1 d . . . . . C2 C 0.5065(6) 0.0409(4) 0.2780(7) 0.0658(18) Uani 1 1 d . . . . . C3 C 0.5930(6) 0.0578(5) 0.2529(8) 0.074(2) Uani 1 1 d . . . . . C4 C 0.5903(6) 0.1184(5) 0.1810(8) 0.075(2) Uani 1 1 d . . . . . C5 C 0.5011(7) 0.1391(4) 0.1571(6) 0.071(2) Uani 1 1 d . . . . . C6 C 0.3479(6) 0.0869(7) 0.2151(13) 0.121(5) Uani 1 1 d . . . . . H6A H 0.3223 0.1329 0.2005 0.145 Uiso 1 1 calc R U . . . H6B H 0.3291 0.0692 0.2930 0.145 Uiso 1 1 calc R U . . . C7 C 0.4811(11) -0.0234(5) 0.3466(12) 0.118(5) Uani 1 1 d . . . . . H7A H 0.4281 -0.0143 0.3872 0.141 Uiso 1 1 calc R U . . . H7B H 0.5288 -0.0358 0.4078 0.141 Uiso 1 1 calc R U . . . H7C H 0.4703 -0.0611 0.2885 0.141 Uiso 1 1 calc R U . . . C8 C 0.6741(9) 0.0146(9) 0.2867(16) 0.154(7) Uani 1 1 d . . . . . H8A H 0.6763 -0.0229 0.2281 0.184 Uiso 1 1 calc R U . . . H8B H 0.6717 -0.0040 0.3690 0.184 Uiso 1 1 calc R U . . . H8C H 0.7264 0.0431 0.2845 0.184 Uiso 1 1 calc R U . . . C9 C 0.6690(10) 0.1482(8) 0.1217(13) 0.136(6) Uani 1 1 d . . . . . H9A H 0.6529 0.1923 0.0841 0.163 Uiso 1 1 calc R U . . . H9B H 0.6864 0.1167 0.0590 0.163 Uiso 1 1 calc R U . . . H9C H 0.7179 0.1545 0.1843 0.163 Uiso 1 1 calc R U . . . C10 C 0.4671(13) 0.1974(6) 0.0766(9) 0.145(7) Uani 1 1 d . . . . . H10A H 0.4063 0.2070 0.0911 0.174 Uiso 1 1 calc R U . . . H10B H 0.4702 0.1851 -0.0093 0.174 Uiso 1 1 calc R U . . . H10C H 0.5028 0.2382 0.0957 0.174 Uiso 1 1 calc R U . . . C11 C 0.3160(9) 0.0375(11) 0.107(2) 0.227(14) Uani 1 1 d . . . . . H11A H 0.3643 0.0335 0.0535 0.272 Uiso 1 1 calc R U . . . H11B H 0.3079 -0.0082 0.1425 0.272 Uiso 1 1 calc R U . . . C12 C 0.2436(16) 0.0520(10) 0.0352(17) 0.185(10) Uani 1 1 d . . . . . H12A H 0.2491 0.0988 0.0026 0.222 Uiso 1 1 calc R U . . . H12B H 0.1936 0.0521 0.0861 0.222 Uiso 1 1 calc R U . . . C13 C 0.1497(11) 0.0161(14) -0.1338(16) 0.179(9) Uani 1 1 d . . . . . H13A H 0.1614 0.0237 -0.2190 0.215 Uiso 1 1 calc R U . . . H13B H 0.1207 0.0564 -0.1032 0.215 Uiso 1 1 calc R U . . . H13C H 0.1119 -0.0239 -0.1290 0.215 Uiso 1 1 calc R U . . . C14 C 0.4050(4) 0.3327(3) 0.5350(6) 0.0489(13) Uani 1 1 d . . . . . C15 C 0.4037(4) 0.2973(3) 0.6520(6) 0.0485(13) Uani 1 1 d . . . . . C16 C 0.3509(4) 0.2352(3) 0.6308(6) 0.0463(12) Uani 1 1 d . . . . . C17 C 0.3173(3) 0.2350(3) 0.5022(5) 0.0458(11) Uani 1 1 d . . . . . C18 C 0.3505(3) 0.2942(3) 0.4431(6) 0.0505(13) Uani 1 1 d . . . . . C19 C 0.4459(4) 0.4021(3) 0.5159(10) 0.070(2) Uani 1 1 d . . . . . H19A H 0.4590 0.4064 0.4297 0.084 Uiso 1 1 calc R U . . . H19B H 0.5017 0.4057 0.5682 0.084 Uiso 1 1 calc R U . . . C20 C 0.4436(5) 0.3218(5) 0.7750(7) 0.071(2) Uani 1 1 d . . . . . H20A H 0.4750 0.2841 0.8180 0.085 Uiso 1 1 calc R U . . . H20B H 0.3973 0.3381 0.8235 0.085 Uiso 1 1 calc R U . . . H20C H 0.4844 0.3592 0.7633 0.085 Uiso 1 1 calc R U . . . C21 C 0.3253(6) 0.1862(4) 0.7294(8) 0.071(2) Uani 1 1 d . . . . . H21A H 0.2822 0.2081 0.7771 0.086 Uiso 1 1 calc R U . . . H21B H 0.3773 0.1742 0.7835 0.086 Uiso 1 1 calc R U . . . H21C H 0.3001 0.1447 0.6909 0.086 Uiso 1 1 calc R U . . . C22 C 0.2501(5) 0.1844(4) 0.4467(9) 0.0662(18) Uani 1 1 d . . . . . H22A H 0.2464 0.1877 0.3575 0.079 Uiso 1 1 calc R U . . . H22B H 0.1930 0.1948 0.4752 0.079 Uiso 1 1 calc R U . . . H22C H 0.2676 0.1380 0.4718 0.079 Uiso 1 1 calc R U . . . C23 C 0.3260(5) 0.3170(6) 0.3130(8) 0.080(3) Uani 1 1 d . . . . . H23A H 0.2719 0.3437 0.3093 0.096 Uiso 1 1 calc R U . . . H23B H 0.3173 0.2769 0.2600 0.096 Uiso 1 1 calc R U . . . H23C H 0.3730 0.3453 0.2853 0.096 Uiso 1 1 calc R U . . . C24 C 0.3830(6) 0.4627(4) 0.5481(14) 0.100(4) Uani 1 1 d . . . . . H24A H 0.3273 0.4589 0.4960 0.120 Uiso 1 1 calc R U . . . H24B H 0.3699 0.4582 0.6343 0.120 Uiso 1 1 calc R U . . . C25 C 0.4221(7) 0.5317(4) 0.5299(14) 0.106(4) Uani 1 1 d . . . . . H25A H 0.4400 0.5351 0.4458 0.127 Uiso 1 1 calc R U . . . H25B H 0.3776 0.5674 0.5399 0.127 Uiso 1 1 calc R U . . . C26 C 0.5345(13) 0.6067(7) 0.5956(15) 0.149(6) Uani 1 1 d . . . . . H26A H 0.4891 0.6405 0.5723 0.179 Uiso 1 1 calc R U . . . H26B H 0.5735 0.6025 0.5302 0.179 Uiso 1 1 calc R U . . . H26C H 0.5683 0.6213 0.6710 0.179 Uiso 1 1 calc R U . . . C27 C 0.4833(4) 0.1231(3) 0.5230(6) 0.0452(12) Uani 1 1 d . . . . . H27A H 0.4279 0.0972 0.5101 0.054 Uiso 1 1 calc R U . . . H27B H 0.5223 0.1049 0.5920 0.054 Uiso 1 1 calc R U . . . C28 C 0.5456(5) 0.2512(3) 0.3744(7) 0.0458(11) Uani 1 1 d . . . . . H28A H 0.5143 0.2750 0.3040 0.055 Uiso 1 1 calc R U . . . H28B H 0.6034 0.2717 0.3985 0.055 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rh1 0.03813(18) 0.04064(19) 0.03784(18) 0.00252(17) 0.00674(13) -0.00268(16) Rh2 0.03049(15) 0.04158(18) 0.03535(16) -0.00057(16) -0.00252(12) -0.00022(15) S1 0.0449(8) 0.1011(15) 0.0715(11) 0.0199(10) -0.0107(8) 0.0023(8) S2 0.0402(7) 0.0831(12) 0.0611(9) -0.0036(8) -0.0187(7) 0.0020(7) O1 0.070(4) 0.094(5) 0.078(4) 0.006(4) -0.001(4) 0.035(4) O2 0.057(3) 0.138(7) 0.146(7) 0.032(6) -0.008(4) -0.029(4) O3 0.077(3) 0.102(4) 0.063(3) 0.009(3) -0.023(3) 0.009(3) O4 0.062(4) 0.090(5) 0.081(5) -0.016(4) -0.019(4) -0.017(4) O5 0.037(10) 0.095(18) 0.055(12) -0.003(12) -0.021(9) 0.028(10) O6 0.037(7) 0.083(12) 0.051(8) -0.006(8) -0.009(6) 0.011(7) O7 0.130(8) 0.228(13) 0.208(12) -0.139(11) -0.032(8) 0.034(8) O8 0.116(6) 0.070(4) 0.135(6) 0.000(4) 0.005(5) -0.013(4) C1 0.055(3) 0.067(4) 0.059(4) -0.025(3) 0.006(3) -0.006(3) C2 0.094(5) 0.045(3) 0.062(4) -0.011(3) 0.026(4) -0.010(3) C3 0.071(5) 0.073(5) 0.078(5) -0.029(4) 0.010(4) 0.014(4) C4 0.071(5) 0.095(6) 0.065(4) -0.027(4) 0.032(4) -0.027(4) C5 0.125(7) 0.050(3) 0.035(3) -0.006(3) -0.005(3) -0.012(4) C6 0.061(5) 0.142(10) 0.160(11) -0.101(10) 0.012(6) -0.010(5) C7 0.203(14) 0.053(4) 0.106(7) -0.003(5) 0.061(9) -0.032(6) C8 0.111(9) 0.165(13) 0.180(14) -0.086(12) -0.009(9) 0.072(9) C9 0.135(10) 0.167(13) 0.117(9) -0.039(9) 0.071(8) -0.086(10) C10 0.27(2) 0.086(7) 0.062(5) 0.001(5) -0.057(8) 0.012(10) C11 0.078(7) 0.27(2) 0.32(3) -0.23(2) -0.046(12) 0.020(10) C12 0.24(2) 0.147(14) 0.154(14) -0.088(13) -0.048(15) 0.052(15) C13 0.106(11) 0.29(3) 0.140(13) -0.007(15) 0.003(10) 0.050(13) C14 0.035(2) 0.043(3) 0.068(4) 0.003(3) -0.001(2) 0.003(2) C15 0.043(3) 0.055(3) 0.046(3) -0.001(3) -0.005(2) 0.009(2) C16 0.041(3) 0.046(3) 0.053(3) 0.001(2) 0.011(2) 0.004(2) C17 0.035(2) 0.054(3) 0.049(3) -0.006(2) 0.004(2) 0.003(2) C18 0.029(2) 0.065(3) 0.055(3) 0.005(3) -0.006(2) 0.005(2) C19 0.042(3) 0.041(3) 0.125(7) 0.006(4) 0.004(4) 0.000(2) C20 0.073(4) 0.078(5) 0.060(4) -0.027(4) -0.005(3) 0.009(4) C21 0.075(5) 0.066(4) 0.078(5) 0.016(4) 0.034(4) 0.011(4) C22 0.044(3) 0.078(5) 0.077(5) -0.014(4) 0.009(3) -0.011(3) C23 0.047(4) 0.113(7) 0.075(5) 0.031(5) -0.018(3) 0.005(4) C24 0.053(4) 0.061(4) 0.188(12) 0.020(6) 0.016(5) 0.008(3) C25 0.093(6) 0.047(4) 0.177(12) 0.020(6) 0.007(7) 0.020(4) C26 0.222(18) 0.070(7) 0.156(13) -0.022(8) 0.020(12) -0.040(9) C27 0.051(3) 0.043(3) 0.042(3) 0.006(3) 0.009(2) 0.001(2) C28 0.051(3) 0.039(2) 0.048(3) 0.002(3) 0.009(2) -0.005(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 for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.0000 0.0000 ; International Tables for Crystallography (Vol. C, Table 6.1.1.4) ; Rh Rh -1.1178 0.9187 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; S S 0.1246 0.1234 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; O O 0.0106 0.0060 ; International Tables for Crystallography (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 C28 Rh1 C27 99.4(3) . . ? C28 Rh1 C4 106.0(3) . . ? C27 Rh1 C4 153.6(3) . . ? C28 Rh1 C3 141.0(3) . . ? C27 Rh1 C3 119.3(3) . . ? C4 Rh1 C3 36.7(4) . . ? C28 Rh1 C2 155.3(3) . . ? C27 Rh1 C2 92.8(3) . . ? C4 Rh1 C2 61.0(3) . . ? C3 Rh1 C2 36.2(3) . . ? C28 Rh1 C1 119.8(3) . . ? C27 Rh1 C1 99.3(3) . . ? C4 Rh1 C1 61.7(3) . . ? C3 Rh1 C1 60.9(3) . . ? C2 Rh1 C1 36.2(3) . . ? C28 Rh1 C5 95.9(3) . . ? C27 Rh1 C5 134.4(3) . . ? C4 Rh1 C5 36.5(3) . . ? C3 Rh1 C5 60.7(3) . . ? C2 Rh1 C5 60.7(3) . . ? C1 Rh1 C5 37.3(3) . . ? C28 Rh1 S1 85.0(2) . . ? C27 Rh1 S1 87.12(19) . . ? C4 Rh1 S1 102.0(2) . . ? C3 Rh1 S1 92.4(2) . . ? C2 Rh1 S1 117.2(2) . . ? C1 Rh1 S1 152.38(19) . . ? C5 Rh1 S1 137.1(3) . . ? C28 Rh1 Rh2 50.1(2) . . ? C27 Rh1 Rh2 49.85(17) . . ? C4 Rh1 Rh2 152.8(3) . . ? C3 Rh1 Rh2 168.9(3) . . ? C2 Rh1 Rh2 134.4(2) . . ? C1 Rh1 Rh2 115.21(17) . . ? C5 Rh1 Rh2 123.5(2) . . ? S1 Rh1 Rh2 89.51(6) . . ? C27 Rh2 C28 99.3(3) . . ? C27 Rh2 C14 158.1(2) . . ? C28 Rh2 C14 98.9(2) . . ? C27 Rh2 C15 127.9(2) . . ? C28 Rh2 C15 132.5(3) . . ? C14 Rh2 C15 37.4(2) . . ? C27 Rh2 C16 96.9(2) . . ? C28 Rh2 C16 156.6(2) . . ? C14 Rh2 C16 62.3(2) . . ? C15 Rh2 C16 37.3(2) . . ? C27 Rh2 S2 85.80(19) . . ? C28 Rh2 S2 86.9(2) . . ? C14 Rh2 S2 107.37(16) . . ? C15 Rh2 S2 90.93(16) . . ? C16 Rh2 S2 111.14(17) . . ? C27 Rh2 C18 128.6(2) . . ? C28 Rh2 C18 95.2(3) . . ? C14 Rh2 C18 37.0(2) . . ? C15 Rh2 C18 61.7(2) . . ? C16 Rh2 C18 61.4(2) . . ? S2 Rh2 C18 144.29(17) . . ? C27 Rh2 C17 98.3(2) . . ? C28 Rh2 C17 123.4(3) . . ? C14 Rh2 C17 61.1(2) . . ? C15 Rh2 C17 61.3(2) . . ? C16 Rh2 C17 36.7(2) . . ? S2 Rh2 C17 147.72(15) . . ? C18 Rh2 C17 36.0(2) . . ? C27 Rh2 Rh1 50.08(18) . . ? C28 Rh2 Rh1 49.69(16) . . ? C14 Rh2 Rh1 144.01(17) . . ? C15 Rh2 Rh1 177.69(18) . . ? C16 Rh2 Rh1 140.43(15) . . ? S2 Rh2 Rh1 89.96(5) . . ? C18 Rh2 Rh1 118.32(16) . . ? C17 Rh2 Rh1 117.24(14) . . ? O1 S1 O5 64.0(11) . . ? O1 S1 O2 117.6(5) . . ? O5 S1 O2 120.4(12) . . ? O1 S1 O6 108.5(7) . . ? O5 S1 O6 50.7(13) . . ? O2 S1 O6 79.2(8) . . ? O1 S1 Rh1 116.9(4) . . ? O5 S1 Rh1 113.7(8) . . ? O2 S1 Rh1 114.9(4) . . ? O6 S1 Rh1 113.4(5) . . ? O4 S2 O3 119.1(4) . . ? O4 S2 O6 68.6(8) . . ? O3 S2 O6 117.3(7) . . ? O4 S2 O5 112.2(10) . . ? O3 S2 O5 80.2(9) . . ? O6 S2 O5 47.5(11) . . ? O4 S2 Rh2 115.7(3) . . ? O3 S2 Rh2 114.1(3) . . ? O6 S2 Rh2 114.7(6) . . ? O5 S2 Rh2 109.9(7) . . ? S1 O1 O5 58.3(10) . . ? S2 O4 O6 59.2(7) . . ? O6 O5 S1 74.8(16) . . ? O6 O5 O1 124(2) . . ? S1 O5 O1 57.7(10) . . ? O6 O5 S2 57.9(12) . . ? S1 O5 S2 112.0(14) . . ? O1 O5 S2 163.8(14) . . ? O5 O6 S2 74.6(13) . . ? O5 O6 O4 122.1(16) . . ? S2 O6 O4 52.2(6) . . ? O5 O6 S1 54.5(12) . . ? S2 O6 S1 109.9(11) . . ? O4 O6 S1 156.3(10) . . ? C13 O7 C12 116.5(15) . . ? C26 O8 C25 111.7(10) . . ? C2 C1 C5 106.4(6) . . ? C2 C1 C6 125.5(9) . . ? C5 C1 C6 127.4(9) . . ? C2 C1 Rh1 71.3(4) . . ? C5 C1 Rh1 71.4(4) . . ? C6 C1 Rh1 129.4(5) . . ? C3 C2 C1 109.1(7) . . ? C3 C2 C7 124.7(10) . . ? C1 C2 C7 126.1(9) . . ? C3 C2 Rh1 70.7(4) . . ? C1 C2 Rh1 72.5(4) . . ? C7 C2 Rh1 126.1(6) . . ? C2 C3 C4 108.7(7) . . ? C2 C3 C8 125.6(11) . . ? C4 C3 C8 125.4(11) . . ? C2 C3 Rh1 73.1(4) . . ? C4 C3 Rh1 71.2(4) . . ? C8 C3 Rh1 126.2(7) . . ? C3 C4 C5 108.5(7) . . ? C3 C4 C9 124.5(11) . . ? C5 C4 C9 126.2(11) . . ? C3 C4 Rh1 72.1(4) . . ? C5 C4 Rh1 74.0(4) . . ? C9 C4 Rh1 127.8(7) . . ? C4 C5 C1 107.3(6) . . ? C4 C5 C10 126.7(11) . . ? C1 C5 C10 126.0(11) . . ? C4 C5 Rh1 69.5(4) . . ? C1 C5 Rh1 71.3(4) . . ? C10 C5 Rh1 126.2(6) . . ? C1 C6 C11 108.0(9) . . ? C1 C6 H6A 110.1 . . ? C11 C6 H6A 110.1 . . ? C1 C6 H6B 110.1 . . ? C11 C6 H6B 110.1 . . ? H6A C6 H6B 108.4 . . ? C2 C7 H7A 109.5 . . ? C2 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C3 C8 H8A 109.5 . . ? C3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C5 C10 H10A 109.5 . . ? C5 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C5 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 C6 120.0(14) . . ? C12 C11 H11A 107.3 . . ? C6 C11 H11A 107.3 . . ? C12 C11 H11B 107.3 . . ? C6 C11 H11B 107.3 . . ? H11A C11 H11B 106.9 . . ? C11 C12 O7 115.5(15) . . ? C11 C12 H12A 108.4 . . ? O7 C12 H12A 108.4 . . ? C11 C12 H12B 108.4 . . ? O7 C12 H12B 108.4 . . ? H12A C12 H12B 107.5 . . ? O7 C13 H13A 109.5 . . ? O7 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? O7 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C18 C14 C15 108.1(5) . . ? C18 C14 C19 125.8(6) . . ? C15 C14 C19 125.7(6) . . ? C18 C14 Rh2 73.5(3) . . ? C15 C14 Rh2 71.8(3) . . ? C19 C14 Rh2 126.6(4) . . ? C14 C15 C16 107.7(5) . . ? C14 C15 C20 126.8(7) . . ? C16 C15 C20 125.4(7) . . ? C14 C15 Rh2 70.8(3) . . ? C16 C15 Rh2 71.8(3) . . ? C20 C15 Rh2 126.0(5) . . ? C17 C16 C15 107.4(5) . . ? C17 C16 C21 126.4(6) . . ? C15 C16 C21 125.6(6) . . ? C17 C16 Rh2 73.2(3) . . ? C15 C16 Rh2 70.9(3) . . ? C21 C16 Rh2 128.0(4) . . ? C18 C17 C16 108.9(5) . . ? C18 C17 C22 126.8(6) . . ? C16 C17 C22 123.9(6) . . ? C18 C17 Rh2 71.5(3) . . ? C16 C17 Rh2 70.1(3) . . ? C22 C17 Rh2 129.8(4) . . ? C17 C18 C14 107.9(5) . . ? C17 C18 C23 126.5(6) . . ? C14 C18 C23 125.3(7) . . ? C17 C18 Rh2 72.6(3) . . ? C14 C18 Rh2 69.5(3) . . ? C23 C18 Rh2 128.3(5) . . ? C14 C19 C24 111.7(6) . . ? C14 C19 H19A 109.3 . . ? C24 C19 H19A 109.3 . . ? C14 C19 H19B 109.3 . . ? C24 C19 H19B 109.3 . . ? H19A C19 H19B 107.9 . . ? C15 C20 H20A 109.5 . . ? C15 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C15 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C16 C21 H21A 109.5 . . ? C16 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C16 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C17 C22 H22A 109.5 . . ? C17 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C17 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C18 C23 H23A 109.5 . . ? C18 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C18 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C25 C24 C19 112.6(8) . . ? C25 C24 H24A 109.1 . . ? C19 C24 H24A 109.1 . . ? C25 C24 H24B 109.1 . . ? C19 C24 H24B 109.1 . . ? H24A C24 H24B 107.8 . . ? O8 C25 C24 111.2(9) . . ? O8 C25 H25A 109.4 . . ? C24 C25 H25A 109.4 . . ? O8 C25 H25B 109.4 . . ? C24 C25 H25B 109.4 . . ? H25A C25 H25B 108.0 . . ? O8 C26 H26A 109.5 . . ? O8 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? O8 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? Rh2 C27 Rh1 80.1(2) . . ? Rh2 C27 H27A 115.3 . . ? Rh1 C27 H27A 115.3 . . ? Rh2 C27 H27B 115.3 . . ? Rh1 C27 H27B 115.3 . . ? H27A C27 H27B 112.3 . . ? Rh1 C28 Rh2 80.3(2) . . ? Rh1 C28 H28A 115.2 . . ? Rh2 C28 H28A 115.2 . . ? Rh1 C28 H28B 115.2 . . ? Rh2 C28 H28B 115.2 . . ? H28A C28 H28B 112.3 . . ? 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 C28 2.040(6) . ? Rh1 C27 2.052(6) . ? Rh1 C4 2.212(7) . ? Rh1 C3 2.223(7) . ? Rh1 C2 2.254(7) . ? Rh1 C1 2.269(6) . ? Rh1 C5 2.270(6) . ? Rh1 S1 2.2931(17) . ? Rh1 Rh2 2.6359(5) . ? Rh2 C27 2.045(6) . ? Rh2 C28 2.050(7) . ? Rh2 C14 2.228(6) . ? Rh2 C15 2.241(6) . ? Rh2 C16 2.254(6) . ? Rh2 S2 2.2770(14) . ? Rh2 C18 2.281(5) . ? Rh2 C17 2.295(5) . ? S1 O1 1.392(8) . ? S1 O5 1.40(2) . ? S1 O2 1.427(8) . ? S1 O6 1.662(18) . ? S2 O4 1.411(9) . ? S2 O3 1.426(7) . ? S2 O6 1.533(16) . ? S2 O5 1.75(2) . ? O1 O5 1.48(3) . ? O4 O6 1.66(2) . ? O5 O6 1.33(3) . ? O7 C13 1.280(17) . ? O7 C12 1.431(16) . ? O8 C26 1.374(14) . ? O8 C25 1.387(14) . ? C1 C2 1.405(11) . ? C1 C5 1.451(11) . ? C1 C6 1.495(12) . ? C2 C3 1.392(12) . ? C2 C7 1.505(11) . ? C3 C4 1.395(13) . ? C3 C8 1.493(14) . ? C4 C5 1.403(13) . ? C4 C9 1.508(12) . ? C5 C10 1.478(13) . ? C6 C11 1.544(15) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 C12 1.31(2) . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 C18 1.433(9) . ? C14 C15 1.433(9) . ? C14 C19 1.489(9) . ? C15 C16 1.438(9) . ? C15 C20 1.481(9) . ? C16 C17 1.431(8) . ? C16 C21 1.495(9) . ? C17 C18 1.413(9) . ? C17 C22 1.489(9) . ? C18 C23 1.483(9) . ? C19 C24 1.558(11) . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 C25 1.470(12) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O2 S1 O1 O5 112.3(12) . . . . ? O6 S1 O1 O5 25.0(13) . . . . ? Rh1 S1 O1 O5 -104.7(11) . . . . ? O3 S2 O4 O6 110.1(7) . . . . ? O5 S2 O4 O6 19.2(10) . . . . ? Rh2 S2 O4 O6 -108.0(7) . . . . ? O1 S1 O5 O6 148.8(13) . . . . ? O2 S1 O5 O6 40.7(12) . . . . ? Rh1 S1 O5 O6 -101.5(11) . . . . ? O2 S1 O5 O1 -108.1(9) . . . . ? O6 S1 O5 O1 -148.8(13) . . . . ? Rh1 S1 O5 O1 109.6(6) . . . . ? O1 S1 O5 S2 -165.9(19) . . . . ? O2 S1 O5 S2 86.0(14) . . . . ? O6 S1 O5 S2 45.3(13) . . . . ? Rh1 S1 O5 S2 -56.3(19) . . . . ? S1 O1 O5 O6 -37.0(14) . . . . ? S1 O1 O5 S2 54(7) . . . . ? O4 S2 O5 O6 -24.6(12) . . . . ? O3 S2 O5 O6 -142.2(11) . . . . ? Rh2 S2 O5 O6 105.6(10) . . . . ? O4 S2 O5 S1 -78.6(16) . . . . ? O3 S2 O5 S1 163.8(17) . . . . ? O6 S2 O5 S1 -54.0(15) . . . . ? Rh2 S2 O5 S1 51.6(18) . . . . ? O4 S2 O5 O1 -126(7) . . . . ? O3 S2 O5 O1 116(8) . . . . ? O6 S2 O5 O1 -102(8) . . . . ? Rh2 S2 O5 O1 4(8) . . . . ? S1 O5 O6 S2 129.0(8) . . . . ? O1 O5 O6 S2 160.8(16) . . . . ? S1 O5 O6 O4 151.7(12) . . . . ? O1 O5 O6 O4 -176.4(11) . . . . ? S2 O5 O6 O4 22.7(10) . . . . ? O1 O5 O6 S1 31.8(12) . . . . ? S2 O5 O6 S1 -129.0(8) . . . . ? O4 S2 O6 O5 155.5(12) . . . . ? O3 S2 O6 O5 42.8(13) . . . . ? Rh2 S2 O6 O5 -95.0(11) . . . . ? O3 S2 O6 O4 -112.7(6) . . . . ? O5 S2 O6 O4 -155.5(12) . . . . ? Rh2 S2 O6 O4 109.4(5) . . . . ? O4 S2 O6 S1 -162.2(11) . . . . ? O3 S2 O6 S1 85.1(9) . . . . ? O5 S2 O6 S1 42.3(11) . . . . ? Rh2 S2 O6 S1 -52.8(11) . . . . ? S2 O4 O6 O5 -28.1(13) . . . . ? S2 O4 O6 S1 46(3) . . . . ? O1 S1 O6 O5 -29.4(12) . . . . ? O2 S1 O6 O5 -145.0(12) . . . . ? Rh1 S1 O6 O5 102.3(11) . . . . ? O1 S1 O6 S2 -82.2(10) . . . . ? O5 S1 O6 S2 -52.8(12) . . . . ? O2 S1 O6 S2 162.1(10) . . . . ? Rh1 S1 O6 S2 49.5(11) . . . . ? O1 S1 O6 O4 -119(3) . . . . ? O5 S1 O6 O4 -90(3) . . . . ? O2 S1 O6 O4 125(3) . . . . ? Rh1 S1 O6 O4 12(4) . . . . ? C5 C1 C2 C3 1.6(8) . . . . ? C6 C1 C2 C3 172.8(8) . . . . ? Rh1 C1 C2 C3 -61.6(5) . . . . ? C5 C1 C2 C7 -174.5(8) . . . . ? C6 C1 C2 C7 -3.3(13) . . . . ? Rh1 C1 C2 C7 122.3(8) . . . . ? C5 C1 C2 Rh1 63.2(4) . . . . ? C6 C1 C2 Rh1 -125.6(8) . . . . ? C1 C2 C3 C4 0.0(9) . . . . ? C7 C2 C3 C4 176.1(8) . . . . ? Rh1 C2 C3 C4 -62.7(5) . . . . ? C1 C2 C3 C8 -174.5(9) . . . . ? C7 C2 C3 C8 1.6(14) . . . . ? Rh1 C2 C3 C8 122.7(10) . . . . ? C1 C2 C3 Rh1 62.8(5) . . . . ? C7 C2 C3 Rh1 -121.1(9) . . . . ? C2 C3 C4 C5 -1.7(9) . . . . ? C8 C3 C4 C5 172.8(9) . . . . ? Rh1 C3 C4 C5 -65.6(5) . . . . ? C2 C3 C4 C9 -172.0(8) . . . . ? C8 C3 C4 C9 2.5(15) . . . . ? Rh1 C3 C4 C9 124.0(9) . . . . ? C2 C3 C4 Rh1 63.9(5) . . . . ? C8 C3 C4 Rh1 -121.5(10) . . . . ? C3 C4 C5 C1 2.7(8) . . . . ? C9 C4 C5 C1 172.8(9) . . . . ? Rh1 C4 C5 C1 -61.7(5) . . . . ? C3 C4 C5 C10 -175.1(8) . . . . ? C9 C4 C5 C10 -4.9(13) . . . . ? Rh1 C4 C5 C10 120.6(8) . . . . ? C3 C4 C5 Rh1 64.4(5) . . . . ? C9 C4 C5 Rh1 -125.5(9) . . . . ? C2 C1 C5 C4 -2.6(7) . . . . ? C6 C1 C5 C4 -173.6(7) . . . . ? Rh1 C1 C5 C4 60.5(5) . . . . ? C2 C1 C5 C10 175.1(7) . . . . ? C6 C1 C5 C10 4.2(12) . . . . ? Rh1 C1 C5 C10 -121.7(8) . . . . ? C2 C1 C5 Rh1 -63.1(5) . . . . ? C6 C1 C5 Rh1 125.9(7) . . . . ? C2 C1 C6 C11 -80.2(17) . . . . ? C5 C1 C6 C11 89.1(16) . . . . ? Rh1 C1 C6 C11 -174.6(13) . . . . ? C1 C6 C11 C12 -141(2) . . . . ? C6 C11 C12 O7 175.8(19) . . . . ? C13 O7 C12 C11 176(2) . . . . ? C18 C14 C15 C16 2.3(7) . . . . ? C19 C14 C15 C16 174.8(6) . . . . ? Rh2 C14 C15 C16 -62.7(4) . . . . ? C18 C14 C15 C20 -173.8(6) . . . . ? C19 C14 C15 C20 -1.3(10) . . . . ? Rh2 C14 C15 C20 121.2(7) . . . . ? C18 C14 C15 Rh2 65.1(4) . . . . ? C19 C14 C15 Rh2 -122.5(6) . . . . ? C14 C15 C16 C17 -2.6(6) . . . . ? C20 C15 C16 C17 173.6(6) . . . . ? Rh2 C15 C16 C17 -64.6(4) . . . . ? C14 C15 C16 C21 -174.3(6) . . . . ? C20 C15 C16 C21 1.9(10) . . . . ? Rh2 C15 C16 C21 123.6(6) . . . . ? C14 C15 C16 Rh2 62.1(4) . . . . ? C20 C15 C16 Rh2 -121.8(6) . . . . ? C15 C16 C17 C18 1.9(6) . . . . ? C21 C16 C17 C18 173.5(6) . . . . ? Rh2 C16 C17 C18 -61.2(4) . . . . ? C15 C16 C17 C22 -171.7(6) . . . . ? C21 C16 C17 C22 0.0(10) . . . . ? Rh2 C16 C17 C22 125.3(6) . . . . ? C15 C16 C17 Rh2 63.1(4) . . . . ? C21 C16 C17 Rh2 -125.3(6) . . . . ? C16 C17 C18 C14 -0.4(6) . . . . ? C22 C17 C18 C14 172.8(6) . . . . ? Rh2 C17 C18 C14 -60.8(4) . . . . ? C16 C17 C18 C23 -174.5(7) . . . . ? C22 C17 C18 C23 -1.2(11) . . . . ? Rh2 C17 C18 C23 125.2(7) . . . . ? C16 C17 C18 Rh2 60.4(4) . . . . ? C22 C17 C18 Rh2 -126.3(6) . . . . ? C15 C14 C18 C17 -1.2(7) . . . . ? C19 C14 C18 C17 -173.6(6) . . . . ? Rh2 C14 C18 C17 62.8(4) . . . . ? C15 C14 C18 C23 172.9(7) . . . . ? C19 C14 C18 C23 0.5(10) . . . . ? Rh2 C14 C18 C23 -123.1(7) . . . . ? C15 C14 C18 Rh2 -64.0(4) . . . . ? C19 C14 C18 Rh2 123.6(6) . . . . ? C18 C14 C19 C24 90.0(10) . . . . ? C15 C14 C19 C24 -81.2(9) . . . . ? Rh2 C14 C19 C24 -174.3(7) . . . . ? C14 C19 C24 C25 -180.0(10) . . . . ? C26 O8 C25 C24 177.8(12) . . . . ? C19 C24 C25 O8 -66.9(15) . . . . ?