#------------------------------------------------------------------------------ #$Date: 2021-11-26 01:53:58 +0200 (Fri, 26 Nov 2021) $ #$Revision: 270881 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708927.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_7708927 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 92.909(4) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 15.1193(5) _cell_length_b 19.3382(9) _cell_length_c 10.6585(5) _cell_measurement_reflns_used 7007 _cell_measurement_temperature 296 _cell_measurement_theta_max 30.59 _cell_measurement_theta_min 3.91 _cell_volume 3112.3(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 0.999 _diffrn_measured_fraction_theta_max 0.905 _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 0.0302 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.905 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 16997 _diffrn_reflns_point_group_measured_fraction_full 0.849 _diffrn_reflns_point_group_measured_fraction_max 0.718 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.114 _diffrn_reflns_theta_min 2.516 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.230 _exptl_absorpt_correction_T_max 0.884 _exptl_absorpt_correction_T_min 0.831 _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 yellow-orange _exptl_crystal_density_diffrn 1.598 _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 0.91 _refine_diff_density_min -0.51 _refine_ls_abs_structure_details ; Flack x determined using 2186 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.05(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_hydrogen_treatment constr _refine_ls_number_parameters 371 _refine_ls_number_reflns 7191 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0454 _refine_ls_R_factor_gt 0.0374 _refine_ls_shift/su_max 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0437P)^2^+7.1415P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0936 _refine_ls_wR_factor_ref 0.0985 _reflns_Friedel_coverage 0.585 _reflns_Friedel_fraction_full 0.699 _reflns_Friedel_fraction_max 0.531 _reflns_number_gt 6392 _reflns_number_total 7191 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file d1dt03347f2.cif _cod_data_source_block sample3 _cod_database_code 7708927 _shelx_res_file ; shelxl.res created by SHELXL-2014/7 TITL sample3 CELL 0.71075 15.11930 19.33820 10.65850 90.00000 92.90900 90.00000 ZERR 4 0.00050 0.00090 0.00050 0.00000 0.00400 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 0.043700 7.141500 FVAR 0.22289 RH1 3 0.437053 0.142151 0.557138 11.00000 0.03411 0.04263 = 0.03683 -0.00045 0.00491 0.00299 RH2 3 0.510997 0.229394 0.405162 11.00000 0.03037 0.05240 = 0.03898 0.00705 -0.00391 -0.00222 S1 4 0.304623 0.146157 0.444845 11.00000 0.03754 0.10176 = 0.07353 -0.00766 -0.01065 -0.00626 S2 4 0.384761 0.236655 0.279263 11.00000 0.04582 0.10778 = 0.06988 0.02733 -0.02671 -0.01100 O1 5 0.285569 0.092689 0.363673 10.77000 0.06888 0.10473 = 0.09910 -0.02014 -0.00821 -0.03042 O2 5 0.234609 0.177685 0.504159 10.82000 0.04694 0.13817 = 0.12717 -0.04604 -0.01083 0.01735 O3 5 0.389892 0.201692 0.161634 10.98000 0.10137 0.12857 = 0.07824 0.00016 -0.04805 -0.01691 O4 5 0.337424 0.297506 0.284851 10.66000 0.06752 0.14413 = 0.08652 0.01934 -0.02834 0.02697 O5 5 0.321067 0.161828 0.303893 10.25000 0.04407 0.07911 = 0.03183 0.01242 -0.02084 -0.02205 O6 5 0.299111 0.221325 0.359833 10.52000 0.04180 0.11247 = 0.08962 0.03459 -0.02671 -0.00670 O7 5 0.758946 -0.029710 0.614394 11.00000 0.09841 0.18694 = 0.15968 0.03733 0.03964 0.06614 O8 5 0.497752 0.545896 0.334551 11.00000 0.09555 0.07441 = 0.17927 -0.02188 -0.01231 -0.00413 C1 1 0.534478 0.082246 0.685320 11.00000 0.04892 0.05116 = 0.05081 0.01506 0.00744 0.00974 C2 1 0.470594 0.036197 0.633941 11.00000 0.07178 0.04363 = 0.04847 0.00398 0.01201 -0.00293 C3 1 0.385903 0.055210 0.671861 11.00000 0.06721 0.06418 = 0.07304 0.02311 0.00270 -0.00663 C4 1 0.396941 0.114057 0.748342 11.00000 0.06233 0.08548 = 0.05031 0.02002 0.02246 0.02097 C5 1 0.488107 0.131539 0.760154 11.00000 0.10265 0.04525 = 0.03918 0.00107 -0.00483 0.00783 C6 1 0.631294 0.076101 0.676064 11.00000 0.04971 0.08556 = 0.09602 0.04011 0.01018 0.00837 AFIX 23 H6A 2 0.658194 0.120949 0.692457 11.00000 -1.20000 H6B 2 0.643760 0.062877 0.590969 11.00000 -1.20000 AFIX 0 C7 1 0.487811 -0.027137 0.556497 11.00000 0.14967 0.04645 = 0.08322 -0.00744 0.01053 -0.00003 AFIX 137 H7A 2 0.435811 -0.038039 0.504855 11.00000 -1.20000 H7B 2 0.502227 -0.065372 0.611228 11.00000 -1.20000 H7C 2 0.536363 -0.018346 0.504074 11.00000 -1.20000 AFIX 0 C8 1 0.303100 0.015111 0.645998 11.00000 0.07207 0.13792 = 0.14690 0.06509 -0.01359 -0.04080 AFIX 137 H8A 2 0.300207 -0.021973 0.705528 11.00000 -1.20000 H8B 2 0.302729 -0.003559 0.562516 11.00000 -1.20000 H8C 2 0.252889 0.044968 0.653247 11.00000 -1.20000 AFIX 0 C9 1 0.323169 0.147585 0.818197 11.00000 0.13194 0.15050 = 0.08507 0.02957 0.06269 0.07910 AFIX 137 H9A 2 0.334761 0.196178 0.827386 11.00000 -1.20000 H9B 2 0.320310 0.126828 0.899709 11.00000 -1.20000 H9C 2 0.267770 0.140958 0.771686 11.00000 -1.20000 AFIX 0 C10 1 0.528313 0.184474 0.842313 11.00000 0.17216 0.08320 = 0.05474 -0.01140 -0.01721 -0.00307 AFIX 137 H10A 2 0.587545 0.193517 0.818262 11.00000 -1.20000 H10B 2 0.529865 0.168554 0.927708 11.00000 -1.20000 H10C 2 0.493974 0.226167 0.835008 11.00000 -1.20000 AFIX 0 C11 1 0.673507 0.023557 0.766925 11.00000 0.05571 0.12340 = 0.08900 0.04199 0.00718 0.02645 AFIX 23 H11A 2 0.676021 0.042570 0.851247 11.00000 -1.20000 H11B 2 0.637280 -0.017842 0.766849 11.00000 -1.20000 AFIX 0 C12 1 0.765599 0.004964 0.731123 11.00000 0.06152 0.16522 = 0.14135 0.07439 0.01266 0.03418 AFIX 23 H12A 2 0.801103 0.046457 0.724469 11.00000 -1.20000 H12B 2 0.793768 -0.024735 0.794683 11.00000 -1.20000 AFIX 0 C13 1 0.836656 -0.043472 0.563929 11.00000 0.11425 0.49913 = 0.14587 0.10342 0.06456 0.11914 AFIX 137 H13A 2 0.866593 -0.079579 0.611051 11.00000 -1.20000 H13B 2 0.872710 -0.002584 0.566289 11.00000 -1.20000 H13C 2 0.826196 -0.058087 0.478384 11.00000 -1.20000 AFIX 0 C14 1 0.577787 0.331951 0.395884 11.00000 0.03670 0.05170 = 0.08480 -0.01018 0.00942 -0.00977 C15 1 0.579061 0.300259 0.275449 11.00000 0.04017 0.06234 = 0.05485 0.00664 -0.00139 -0.00423 C16 1 0.630539 0.238338 0.288176 11.00000 0.05171 0.05278 = 0.06240 0.00668 0.01834 -0.01000 C17 1 0.663505 0.233878 0.413229 11.00000 0.03185 0.06773 = 0.06569 0.01739 0.00643 -0.00205 C18 1 0.632130 0.290723 0.481651 11.00000 0.03145 0.08235 = 0.06417 -0.00011 -0.00776 -0.01375 C19 1 0.538329 0.400904 0.422944 11.00000 0.04028 0.05809 = 0.12445 -0.01887 0.00056 -0.00819 AFIX 23 H19A 2 0.524767 0.403128 0.510832 11.00000 -1.20000 H19B 2 0.483398 0.406472 0.372900 11.00000 -1.20000 AFIX 0 C20 1 0.541171 0.327293 0.153705 11.00000 0.08024 0.09379 = 0.07087 0.03677 -0.00532 -0.02073 AFIX 137 H20A 2 0.503468 0.366031 0.168864 11.00000 -1.20000 H20B 2 0.507282 0.291613 0.111056 11.00000 -1.20000 H20C 2 0.588295 0.341694 0.102572 11.00000 -1.20000 AFIX 0 C21 1 0.656132 0.191980 0.182022 11.00000 0.09903 0.07322 = 0.10409 -0.01360 0.05152 -0.01052 AFIX 137 H21A 2 0.686967 0.152194 0.215760 11.00000 -1.20000 H21B 2 0.693951 0.216884 0.128175 11.00000 -1.20000 H21C 2 0.603755 0.177376 0.134611 11.00000 -1.20000 AFIX 0 C22 1 0.731481 0.183149 0.460524 11.00000 0.04508 0.11301 = 0.11455 0.05418 0.01646 0.00583 AFIX 137 H22A 2 0.737231 0.185464 0.550540 11.00000 -1.20000 H22B 2 0.787345 0.193932 0.426255 11.00000 -1.20000 H22C 2 0.713664 0.137367 0.435250 11.00000 -1.20000 AFIX 0 C23 1 0.656753 0.308112 0.613698 11.00000 0.04656 0.17666 = 0.07057 -0.01840 -0.00963 -0.01994 AFIX 137 H23A 2 0.619394 0.344717 0.641016 11.00000 -1.20000 H23B 2 0.717446 0.322833 0.620494 11.00000 -1.20000 H23C 2 0.649431 0.268095 0.665452 11.00000 -1.20000 AFIX 0 C24 1 0.602347 0.460248 0.393008 11.00000 0.05019 0.08135 = 0.22033 -0.05515 0.01063 -0.00425 AFIX 23 H24A 2 0.657455 0.453921 0.442311 11.00000 -1.20000 H24B 2 0.615520 0.457755 0.304998 11.00000 -1.20000 AFIX 0 C25 1 0.566608 0.529389 0.419331 11.00000 0.07475 0.06933 = 0.19926 -0.05278 0.00158 -0.02460 AFIX 23 H25A 2 0.545701 0.530307 0.503862 11.00000 -1.20000 H25B 2 0.613257 0.563572 0.414411 11.00000 -1.20000 AFIX 0 C26 1 0.468206 0.610526 0.353920 11.00000 0.16944 0.09270 = 0.11551 0.00760 -0.02444 -0.01504 AFIX 137 H26A 2 0.517591 0.641708 0.361558 11.00000 -1.20000 H26B 2 0.436550 0.611643 0.429725 11.00000 -1.20000 H26C 2 0.429415 0.624297 0.284284 11.00000 -1.20000 AFIX 0 C27 1 0.497361 0.124334 0.392652 11.00000 0.05077 0.05719 = 0.03764 -0.00491 0.00767 -0.00561 AFIX 23 H27A 2 0.552184 0.098291 0.400770 11.00000 -1.20000 H27B 2 0.458615 0.108044 0.323562 11.00000 -1.20000 AFIX 0 C28 1 0.434562 0.247664 0.555816 11.00000 0.04642 0.04375 = 0.05017 0.00370 0.00723 0.00595 AFIX 23 H28A 2 0.464983 0.269765 0.627410 11.00000 -1.20000 H28B 2 0.377109 0.268219 0.535354 11.00000 -1.20000 AFIX 0 HKLF 4 REM sample3 REM R1 = 0.0374 for 6392 Fo > 4sig(Fo) and 0.0454 for all 7191 data REM 371 parameters refined using 2 restraints END WGHT 0.0442 6.9727 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.906, deepest hole -0.511, 1-sigma level 0.084 Q1 1 0.4961 0.2684 0.4160 11.00000 0.05 0.91 Q2 1 0.4672 0.1652 0.5937 11.00000 0.05 0.69 Q3 1 0.3986 0.1611 0.5150 11.00000 0.05 0.64 Q4 1 0.4560 0.1145 0.5282 11.00000 0.05 0.63 Q5 1 0.5127 0.0548 0.4045 11.00000 0.05 0.59 ; _shelx_res_checksum 90343 _shelx_hkl_file ; 0 0 -2 1038.51 31.01 0 0 -3 0.72 0.70 0 0 -4 728.94 22.09 0 0 5 0.13 0.54 0 0 -5 -0.67 1.29 0 0 6 1255.24 37.55 0 0 -6 1347.47 38.11 0 0 -6 1233.92 37.53 0 0 7 -0.86 0.91 0 0 -7 -3.36 2.65 0 0 -7 0.33 0.63 0 0 8 886.08 26.72 0 0 -8 1031.13 31.70 0 0 9 -1.83 1.01 0 0 -9 -7.93 3.86 0 0 10 26.62 1.54 0 0 -10 32.54 4.58 0 0 11 -0.52 0.92 0 0 -11 2.07 4.91 0 0 12 74.38 2.65 0 0 -12 123.83 7.42 0 0 -13 2.30 6.45 0 -2 -1 3651.53 108.32 0 2 2 2420.12 70.80 0 2 2 2341.71 70.83 0 -2 -2 2315.42 69.47 0 -2 -2 2324.62 69.45 0 2 -2 2404.16 69.61 0 -2 3 165.59 5.27 0 2 3 160.46 5.02 0 2 -3 199.70 6.12 0 -2 -3 184.78 5.83 0 -2 -3 190.10 5.87 0 2 4 92.22 3.05 0 2 4 95.79 3.10 0 -2 4 93.80 3.42 0 -2 -4 90.32 2.97 0 2 -4 90.70 3.35 0 2 5 552.26 17.07 0 2 5 581.32 17.11 0 2 -5 590.87 17.93 0 -2 -5 585.88 17.50 0 2 -5 572.93 17.41 0 2 6 432.82 13.58 0 2 6 461.52 13.61 0 2 -6 451.40 13.74 0 -2 -6 439.75 13.10 0 -2 -6 458.84 13.57 0 2 -6 411.23 12.99 0 2 7 384.30 11.80 0 2 -7 408.29 13.33 0 -2 -7 408.70 13.12 0 2 8 388.69 11.96 0 2 -8 424.28 12.19 0 -2 -8 423.97 11.92 0 2 9 149.25 5.09 0 -2 9 166.02 5.29 0 -2 -9 192.14 7.37 0 2 -9 170.23 7.57 0 -2 10 52.40 2.35 0 2 10 50.14 2.06 0 -2 -10 66.28 5.16 0 2 -10 68.62 5.63 0 -2 11 66.09 2.51 0 2 11 51.44 2.12 0 2 -11 80.28 6.32 0 -2 -11 72.63 5.76 0 -2 12 26.53 1.65 0 2 -12 34.39 6.32 0 -2 -12 31.70 5.66 0 -2 13 21.64 1.30 0 -2 -13 38.30 6.55 0 -2 -14 39.01 7.19 0 -4 0 305.87 9.48 0 4 0 299.57 9.47 0 -4 0 318.60 9.40 0 4 0 310.31 9.39 0 -4 1 897.99 26.84 0 -4 1 889.08 26.80 0 4 2 920.21 28.01 0 -4 2 952.34 28.16 0 -4 -2 991.71 29.70 0 4 3 1513.05 44.78 0 -4 3 1473.81 45.01 0 -4 -3 1530.22 45.02 0 4 -3 1471.03 45.27 0 4 4 807.14 24.41 0 -4 4 822.84 24.75 0 -4 -4 817.83 24.92 0 4 -4 855.84 25.31 0 4 5 493.79 15.19 0 -4 5 513.92 15.66 0 -4 -5 502.24 15.38 0 4 -5 515.28 15.86 0 4 6 221.66 6.92 0 4 6 209.02 6.78 0 -4 6 216.99 7.34 0 4 -6 212.82 7.59 0 4 7 310.47 9.80 0 4 7 323.50 9.93 0 4 -7 328.32 10.76 0 4 -7 311.08 9.64 0 4 8 369.57 11.39 0 4 8 367.61 11.50 0 4 -8 398.12 12.14 0 -4 -8 378.09 11.62 0 4 9 17.95 1.30 0 -4 -9 22.22 3.82 0 4 -9 28.80 4.61 0 -4 -10 336.13 12.05 0 4 -10 361.06 12.66 0 -4 11 9.57 1.59 0 -4 -11 14.28 4.89 0 -4 12 22.25 1.77 0 -4 -12 28.42 5.37 0 -4 13 16.50 1.49 0 -4 -13 29.18 5.94 0 -6 0 47.95 1.96 0 6 0 45.72 1.93 0 6 0 47.98 1.78 0 -6 1 989.79 30.61 0 -6 1 1052.93 30.71 0 6 -1 1047.94 31.58 0 -6 2 1488.70 44.44 0 6 2 1471.56 44.32 0 6 -2 1480.47 44.48 0 -6 3 1233.74 37.10 0 6 3 1221.84 36.89 0 -6 -3 1229.89 36.91 0 6 4 579.76 17.29 0 -6 4 542.28 17.49 0 -6 4 560.01 17.62 0 -6 -4 596.42 18.17 0 -6 5 554.82 17.40 0 -6 5 555.92 17.63 0 -6 -5 545.94 16.69 0 -6 6 48.29 2.56 0 -6 6 44.90 3.48 0 -6 -6 50.39 2.09 0 6 7 60.38 2.68 0 -6 7 69.53 3.32 0 -6 -7 55.87 2.31 0 6 8 160.88 5.57 0 6 9 286.45 9.29 0 6 -9 280.05 8.68 0 6 10 158.36 5.57 0 6 -10 120.03 4.00 0 -6 -10 196.06 6.64 0 -6 -11 102.79 6.37 0 -6 -12 17.47 5.25 0 -6 13 0.68 1.54 0 -6 -13 -4.82 5.89 0 8 0 924.43 27.92 0 8 0 918.21 27.72 0 8 1 790.95 24.46 0 8 1 823.01 24.20 0 -8 1 798.56 24.41 0 -8 1 791.93 24.52 0 8 -1 811.95 24.73 0 -8 2 321.58 10.06 0 8 2 308.30 9.98 0 -8 2 311.08 10.10 0 8 -2 325.63 10.43 0 -8 3 1307.73 39.47 0 -8 3 1308.53 39.41 0 8 3 1290.83 39.27 0 -8 -3 1338.40 40.29 0 8 4 147.56 5.31 0 -8 4 155.08 5.86 0 -8 -4 155.29 5.31 0 -8 5 193.84 6.87 0 -8 5 196.85 7.35 0 8 5 189.10 6.55 0 -8 -5 215.63 7.08 0 -8 6 745.79 23.27 0 -8 6 742.46 23.57 0 -8 -6 715.45 21.87 0 -8 7 83.99 3.99 0 -8 7 79.93 5.30 0 -8 -7 70.33 2.90 0 8 8 162.01 5.73 0 -8 8 162.15 7.65 0 -8 8 155.86 6.34 0 -8 -8 152.87 5.31 0 8 9 277.24 9.45 0 -8 9 317.87 11.63 0 -8 10 9.70 6.22 0 8 10 3.67 1.86 0 8 -10 2.97 1.01 0 8 -10 5.12 1.85 0 8 11 86.24 3.78 0 -8 11 96.70 8.16 0 -8 -11 103.82 6.26 0 -8 -12 25.31 5.23 0 -8 -13 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12 -0.06 2.38 0 -12 12 6.13 8.73 0 14 0 141.54 5.49 0 14 1 267.38 9.15 0 14 -1 270.63 9.30 0 14 2 199.12 7.25 0 -14 2 200.23 7.61 0 14 2 206.12 6.68 0 -14 2 201.32 8.03 0 14 -2 187.60 6.94 0 -14 3 138.62 6.41 0 14 3 118.03 4.96 0 -14 3 133.57 5.22 0 -14 3 123.96 5.83 0 14 3 126.61 5.43 0 14 3 117.53 4.26 0 -14 -3 128.23 5.08 0 14 -3 126.34 5.31 0 -14 4 53.76 3.27 0 -14 4 59.65 4.73 0 14 4 54.04 3.58 0 -14 4 55.47 5.12 0 -14 -4 62.02 3.21 0 -14 5 87.83 5.89 0 -14 5 86.13 6.22 0 14 5 92.53 4.55 0 -14 -5 74.99 3.64 0 -14 6 159.31 7.91 0 -14 6 151.12 8.19 0 14 6 155.92 6.39 0 -14 -6 149.44 5.76 0 -14 7 110.87 5.39 0 -14 7 114.03 7.60 0 -14 7 118.47 7.53 0 -14 -7 112.49 4.71 0 -14 8 47.08 6.73 0 -14 8 54.69 7.07 0 -14 8 49.81 3.81 0 -14 -8 52.36 3.06 0 -14 9 40.04 7.33 0 -14 9 45.74 7.68 0 -14 9 45.89 3.87 0 -14 -9 41.80 2.82 0 14 -9 45.70 4.87 0 -14 10 29.57 7.73 0 -14 10 23.88 3.75 0 14 10 40.36 3.30 0 -14 10 38.08 8.34 0 14 -10 29.28 4.69 0 -14 -10 24.64 2.54 0 14 11 13.75 2.81 0 -14 11 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8 56.46 8.79 0 -18 -8 63.77 3.98 0 18 -8 66.91 6.82 0 -18 9 33.28 4.37 0 -18 9 33.06 9.20 0 -18 9 36.21 8.58 0 -18 -9 36.34 3.22 0 18 -9 32.25 6.49 0 -18 10 51.61 9.83 0 18 10 50.37 4.58 0 -18 10 55.58 5.02 0 -18 10 41.82 9.36 0 18 11 13.04 3.73 0 20 0 5.35 2.65 0 20 0 6.00 5.83 0 20 1 94.64 4.91 0 -20 1 102.30 5.17 0 20 -1 93.38 4.95 0 20 -1 96.15 7.02 0 20 2 55.31 3.86 0 -20 2 56.55 4.03 0 -20 -2 55.19 3.79 0 20 -2 51.46 4.03 0 20 -2 56.71 6.70 0 20 3 14.09 2.94 0 -20 3 13.11 3.04 0 20 3 16.33 5.65 0 20 -3 13.60 6.23 0 -20 -3 17.98 2.85 0 20 -3 16.39 3.13 0 20 4 70.46 6.38 0 -20 4 59.97 7.66 0 -20 4 69.00 4.52 0 20 4 68.77 4.22 0 20 -4 78.01 7.21 0 -20 -4 79.39 4.48 0 -20 5 16.26 3.22 0 -20 5 11.33 7.19 0 20 5 17.30 2.96 0 20 5 9.27 5.36 0 20 -5 22.73 6.58 0 -20 -5 16.30 2.79 0 -20 6 -0.10 6.90 0 -20 6 8.82 3.25 0 -20 6 6.31 7.84 0 20 6 5.87 5.10 0 20 6 10.75 2.99 0 20 -6 0.94 6.54 0 -20 -6 7.02 2.66 0 -20 7 42.04 8.82 0 -20 7 52.25 8.44 0 20 7 51.87 4.10 0 20 -7 47.97 7.46 0 -20 -7 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3.00 4 12 2 23.86 2.29 4 -12 3 960.32 29.91 4 -12 3 979.72 29.99 4 -12 3 965.63 29.86 4 -12 4 52.96 3.14 4 -12 4 53.47 4.48 4 -12 4 63.98 3.33 4 -12 5 1.44 1.80 4 -12 5 0.52 4.30 4 -12 6 1.59 4.78 4 12 6 4.81 2.45 -4 -12 -6 2.44 1.38 4 -12 7 162.10 8.25 4 12 7 149.89 6.33 -4 -12 -7 132.58 4.86 4 -12 8 7.38 6.43 4 12 8 1.40 2.80 -4 -12 -8 6.89 1.47 4 12 9 196.28 7.56 4 -12 9 198.65 10.27 4 -12 9 180.75 6.95 -4 -12 -9 129.84 4.51 4 -12 10 1.00 7.93 4 12 10 -3.32 2.75 4 -12 10 -2.79 2.19 4 12 11 15.68 2.98 4 -12 11 12.87 2.27 4 -12 11 18.57 8.63 4 12 12 6.97 2.81 4 -12 12 15.76 9.27 -4 -14 12 20.54 3.90 -4 -14 11 13.04 8.27 -4 -14 11 13.73 3.56 -4 -14 11 8.59 8.09 4 14 -10 46.34 4.00 4 -14 -10 44.40 3.35 -4 -14 10 60.65 8.35 -4 14 10 39.10 1.94 -4 -14 10 52.36 4.21 -4 -14 10 52.60 7.66 4 -14 -9 19.47 2.65 -4 -14 9 13.83 7.21 -4 -14 9 17.62 6.70 -4 14 9 17.59 2.70 -4 -14 9 21.33 3.22 4 -14 -8 18.68 2.47 -4 -14 8 21.59 2.91 -4 -14 8 13.78 6.41 -4 14 8 18.06 2.70 -4 -14 8 20.76 6.25 4 -14 -7 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4 -14 1 74.37 3.80 4 -14 2 200.19 7.87 4 -14 2 223.49 7.98 4 -14 2 211.42 7.84 4 14 2 236.84 8.06 4 -14 2 214.64 8.15 4 14 3 184.91 6.89 4 -14 3 179.67 7.37 4 -14 3 170.91 6.66 4 -14 3 166.98 6.70 4 -14 4 120.39 5.21 4 -14 4 115.91 5.27 4 -14 4 123.77 6.39 4 -14 5 121.32 6.89 4 -14 5 115.69 5.06 4 -14 5 111.66 5.27 4 14 6 69.27 4.34 4 -14 6 61.43 4.02 4 -14 6 68.47 6.38 -4 -14 -6 61.14 3.15 4 14 7 33.39 3.53 4 -14 7 31.97 6.48 -4 -14 -7 24.01 2.18 4 14 8 73.10 4.74 4 -14 8 83.94 7.89 4 -14 8 82.10 4.10 -4 -14 -8 70.57 3.29 4 -14 9 9.56 7.52 4 14 9 10.64 3.33 4 -14 9 12.30 2.41 -4 -14 -9 15.67 1.78 4 14 10 11.61 3.42 4 -14 10 14.93 2.56 4 -14 10 21.74 8.33 -4 -14 -10 9.35 1.45 4 -14 11 25.69 9.19 4 14 11 19.40 3.63 4 -14 11 27.03 2.84 4 -16 -11 0.62 2.76 -4 -16 11 6.58 3.47 4 -16 -10 -2.23 2.75 -4 -16 10 0.66 8.53 -4 -16 10 6.18 3.33 -4 -16 10 4.02 7.94 4 -16 -9 61.66 3.93 -4 -16 9 61.09 8.47 -4 -16 9 58.35 8.69 -4 16 9 66.67 4.34 -4 -16 9 67.40 4.80 4 -16 -8 11.04 2.66 -4 -16 8 9.88 7.24 -4 -16 8 9.74 3.04 -4 16 8 6.68 3.07 -4 -16 8 7.17 6.95 4 -16 -7 135.29 5.83 4 16 -7 140.50 7.26 -4 16 7 132.81 5.93 -4 -16 7 132.33 6.19 -4 -16 7 119.89 8.86 -4 -16 7 122.14 8.49 4 -16 -6 7.91 2.37 4 16 -6 10.77 5.03 -4 -16 6 8.22 6.37 -4 -16 6 13.67 2.86 -4 16 6 15.03 3.14 4 16 -5 15.50 2.84 4 16 -5 9.68 4.97 4 -16 -5 14.01 2.39 -4 -16 5 17.05 2.72 -4 16 5 14.32 1.98 -4 -16 5 10.44 6.08 -4 16 5 17.93 3.19 4 -16 -4 63.97 3.10 4 16 -4 64.25 5.65 4 -16 -4 61.14 3.74 4 16 -4 64.97 4.15 -4 16 4 58.66 3.03 -4 -16 4 54.91 6.35 4 16 -3 246.18 9.57 4 16 -3 247.42 9.13 4 -16 -3 234.92 8.24 4 -16 -3 230.77 8.73 -4 16 3 243.24 8.18 -4 -16 3 239.96 10.32 4 -16 -2 22.15 2.61 4 16 -2 19.40 2.84 4 -16 -2 15.83 2.20 -4 16 2 13.32 1.85 4 -16 -1 266.15 9.80 4 -16 -1 270.57 9.50 4 16 -1 290.33 9.70 4 16 -1 289.12 10.08 4 16 -1 267.57 10.50 -4 16 1 265.24 8.83 4 16 0 51.21 5.08 4 16 0 51.65 3.16 4 -16 0 55.71 3.23 4 16 0 58.95 3.62 -4 16 0 49.60 2.72 4 16 1 35.56 2.98 4 16 1 27.48 4.66 4 -16 1 27.71 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9.19 5.01 4 -18 2 15.07 2.52 4 18 2 11.22 2.65 4 18 2 17.83 2.17 4 -18 2 18.46 4.03 4 -18 2 10.78 2.55 4 18 3 42.31 2.91 4 -18 3 44.98 3.48 4 18 3 46.02 3.63 4 -18 3 41.80 5.04 4 -18 3 36.63 5.54 4 -18 3 41.60 3.40 4 -18 4 138.09 8.12 4 -18 4 132.89 6.10 4 -18 4 138.41 6.33 4 18 4 150.47 6.50 4 -18 4 124.97 7.50 4 18 5 62.29 4.42 4 -18 5 62.23 4.40 4 -18 5 59.88 6.71 4 -18 5 57.98 7.06 4 -18 5 68.89 4.16 -4 -18 -5 69.57 4.02 4 -18 6 89.38 5.35 4 -18 6 76.90 7.84 4 -18 6 86.32 8.19 4 -18 6 103.71 5.02 -4 -18 -6 89.81 4.45 4 -18 7 16.29 3.05 4 -18 7 16.61 3.39 4 -18 7 13.46 7.70 4 -18 7 15.16 7.28 4 18 7 13.29 4.78 -4 -18 -7 17.23 2.63 4 -18 8 4.79 7.80 4 -18 8 4.78 2.84 4 18 8 11.50 4.47 4 -18 8 6.51 8.11 -4 -18 -8 4.56 2.35 4 -18 9 -0.80 2.89 4 -18 9 0.58 8.25 4 -18 9 -4.22 8.93 4 18 9 4.38 4.31 4 -18 10 31.24 9.69 4 -18 10 24.06 3.48 4 18 10 21.93 4.77 4 -18 10 22.57 9.45 4 18 11 13.19 4.46 4 -20 -9 8.10 2.98 -4 20 9 3.04 4.03 4 -20 -8 42.46 3.92 -4 -20 8 37.38 4.59 -4 20 8 46.97 3.61 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2.65 4 20 2 -1.19 2.98 4 -20 2 -1.91 2.77 4 -20 3 73.76 6.22 4 20 3 89.00 5.03 4 -20 3 82.29 4.77 4 20 3 81.63 4.12 4 -20 3 72.46 6.80 4 -20 3 76.55 4.71 4 -20 4 56.55 7.01 4 -20 4 69.53 4.48 4 -20 4 54.71 6.48 4 -20 4 61.22 4.25 4 20 4 57.28 3.57 4 20 4 61.15 4.49 4 -20 5 8.91 3.13 4 20 5 4.56 3.45 4 -20 5 8.05 2.96 4 -20 5 6.28 7.22 4 -20 5 4.73 6.32 4 20 5 7.40 2.33 -4 -20 -5 5.08 2.60 4 -20 6 48.19 7.67 4 -20 6 54.52 4.03 4 -20 6 46.97 7.87 4 20 6 48.66 4.48 4 -20 6 54.62 4.38 -4 -20 -6 45.17 3.63 4 -20 7 17.02 3.23 4 -20 7 18.21 8.16 4 20 7 2.13 5.64 4 -20 7 9.44 3.50 -4 -20 -7 12.11 2.78 4 -20 8 -4.91 3.84 4 -20 8 0.78 8.47 4 20 8 4.80 5.29 4 -20 8 2.97 3.07 4 -20 8 4.52 8.75 -4 -20 -8 1.17 2.62 4 -20 9 24.06 3.73 4 -20 9 21.47 10.22 4 20 9 25.40 5.64 4 -20 9 33.91 9.46 4 -20 10 8.93 3.53 4 -22 -9 2.90 3.22 -4 22 9 -0.51 4.97 4 -22 -8 -2.06 3.15 -4 22 8 -4.30 5.15 -4 22 7 18.59 5.77 -4 -22 7 20.61 9.57 4 22 -6 3.00 7.80 4 -22 -6 13.12 3.42 -4 -22 6 16.75 9.00 -4 22 6 16.28 5.94 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17 -3 9.32 2.81 5 17 -3 7.53 5.36 5 -17 -3 6.96 1.81 5 -17 -3 9.21 2.36 -5 17 3 6.00 1.57 5 17 -2 152.57 8.34 5 -17 -2 178.69 7.02 5 17 -2 167.27 7.09 5 17 -2 173.54 6.89 5 -17 -2 165.44 6.35 -5 17 2 159.11 5.71 5 -17 -1 101.40 4.66 5 17 -1 112.25 5.36 5 17 -1 104.12 4.94 5 -17 -1 95.21 4.87 -5 17 1 97.79 4.02 5 -17 0 142.49 5.94 5 17 0 149.09 6.39 5 17 0 143.19 5.93 5 17 1 37.21 2.98 5 -17 1 35.06 3.58 5 17 1 42.15 3.53 5 -17 1 38.02 3.16 5 -17 1 43.86 3.08 5 -17 2 15.70 3.84 5 17 2 12.45 2.71 5 -17 2 9.70 4.33 5 -17 2 14.74 2.48 5 17 2 12.72 2.21 5 -17 2 15.91 2.46 5 -17 3 4.56 4.43 5 -17 3 5.94 2.28 5 17 3 2.36 2.46 5 -17 3 4.01 4.66 5 -17 3 1.31 2.23 5 -17 4 147.66 6.38 5 -17 4 138.45 7.56 5 -17 4 134.00 6.05 5 17 4 153.69 6.49 5 -17 4 138.34 7.41 5 -17 5 79.83 4.35 5 -17 5 69.93 4.65 5 -17 5 68.63 6.88 5 -17 5 61.55 6.62 5 -17 6 98.22 7.77 5 17 6 114.50 6.70 5 -17 6 118.23 5.33 5 -17 6 100.09 5.61 -5 -17 -6 110.77 4.85 5 -17 7 36.73 7.48 5 17 7 27.85 4.92 5 -17 7 32.08 3.21 -5 -17 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7.08 7 15 7 3.82 4.54 -7 -15 -7 4.08 1.95 7 -15 8 85.19 4.48 7 15 8 80.10 5.84 7 -15 8 82.24 8.31 -7 -15 -8 68.72 3.26 7 -15 9 36.60 8.70 7 15 9 31.81 4.82 7 -15 9 25.51 2.91 7 15 10 4.04 4.22 7 -15 10 1.96 9.00 7 -15 10 4.87 2.55 7 -15 11 6.91 9.94 7 15 11 12.76 4.40 7 -17 -10 -2.45 2.94 -7 17 10 1.53 2.94 -7 -17 10 -2.56 3.36 7 -17 -9 0.49 3.04 -7 17 9 3.59 3.04 -7 -17 9 3.36 3.38 7 17 -8 48.43 6.01 7 -17 -8 47.94 4.00 -7 -17 8 44.93 8.57 -7 -17 8 45.89 4.31 -7 17 8 51.19 4.27 7 -17 -7 43.05 3.87 7 17 -7 30.30 6.01 -7 17 7 44.59 4.18 -7 -17 7 37.53 8.03 -7 -17 7 47.36 4.19 -7 17 7 37.17 2.54 7 17 -6 116.04 7.47 7 -17 -6 115.84 5.66 -7 -17 6 101.92 8.52 -7 17 6 98.18 3.80 7 -17 -5 29.68 2.03 7 -17 -5 36.67 3.45 -7 17 5 29.97 1.73 -7 -17 5 28.82 7.10 7 17 -4 17.01 3.07 7 -17 -4 13.19 2.64 7 -17 -4 9.84 1.68 -7 17 4 12.41 1.04 7 -17 -3 -1.45 2.46 7 17 -3 1.38 2.69 7 17 -3 0.82 2.57 7 -17 -3 3.06 1.58 7 -17 -2 63.83 4.11 7 17 -2 67.34 4.35 7 -17 -2 64.88 3.37 7 17 -2 63.85 4.19 7 17 -1 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16 -5 104.95 7.31 8 16 -4 16.43 5.49 8 -16 -4 18.49 2.76 8 -16 -3 3.15 2.44 8 16 -3 5.27 2.61 8 16 -3 6.91 5.40 8 16 -2 14.54 2.82 8 16 -2 15.24 5.51 8 16 -1 173.27 8.51 8 16 -1 172.03 7.16 8 16 0 20.64 3.00 8 -16 0 11.79 2.91 8 16 0 14.76 3.26 8 16 0 16.37 5.39 8 -16 1 327.95 11.62 8 16 1 320.18 12.52 8 16 1 332.49 11.54 8 16 1 321.49 11.85 8 -16 2 27.98 3.01 8 16 2 20.53 3.36 8 -16 2 25.94 3.50 8 -16 3 46.34 4.45 8 -16 3 39.96 3.20 8 16 4 -0.95 3.05 8 -16 4 1.49 2.20 8 16 4 -3.25 5.23 8 -16 4 3.75 4.82 8 16 5 23.40 5.48 8 -16 5 19.78 2.77 8 -16 5 22.89 5.78 8 16 6 0.41 5.22 8 -16 6 4.78 6.37 8 -16 6 4.10 2.60 8 16 7 131.79 8.00 8 -16 7 141.91 6.10 8 -16 7 133.28 9.17 -8 -16 -7 122.07 5.02 8 16 8 1.90 5.28 8 -16 8 4.00 7.78 8 -16 8 5.05 2.71 -8 -16 -8 6.44 2.12 8 -16 9 44.92 8.94 8 -16 9 40.10 3.52 8 16 9 47.97 5.85 8 16 10 4.73 5.05 8 -16 10 3.01 9.45 8 -18 -10 7.44 3.25 8 -18 -9 -1.17 3.22 -8 -18 9 11.29 3.61 -8 18 9 7.23 3.51 8 18 -8 10.05 6.32 8 -18 -8 10.46 3.16 -8 -18 8 10.97 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69.76 4.76 -10 -10 8 64.81 6.23 -10 -10 8 50.88 3.71 10 -10 -7 110.85 5.32 -10 10 7 91.80 3.48 -10 -10 7 98.73 6.57 10 10 -6 62.39 4.17 10 -10 -6 63.20 3.77 10 10 -6 61.08 4.89 -10 -10 6 55.89 5.10 -10 10 6 60.97 4.50 10 10 -5 5.06 4.20 10 -10 -5 3.75 2.07 10 10 -5 0.28 2.53 -10 -10 5 -0.25 1.98 -10 -10 5 4.51 3.89 -10 10 5 1.21 3.85 10 10 -4 214.89 8.54 10 10 -4 210.88 8.24 10 -10 -4 210.45 8.05 -10 10 4 215.47 8.63 -10 -10 4 212.62 8.84 -10 -10 4 219.32 7.81 10 -10 -3 192.92 6.29 10 10 -3 192.15 8.20 10 10 -3 209.12 7.75 -10 -10 3 218.92 7.90 10 10 -2 287.79 10.18 10 10 -2 276.91 10.55 -10 -10 2 276.53 9.53 -10 10 2 269.56 10.14 10 -10 -1 179.76 6.80 10 10 -1 184.74 7.15 10 10 -1 169.00 7.85 -10 -10 1 195.16 7.14 -10 10 1 183.02 6.58 -10 10 1 190.55 7.86 10 10 0 87.87 4.62 10 10 0 101.63 5.85 10 -10 0 97.95 4.29 -10 10 0 96.80 4.11 -10 -10 0 97.37 4.48 -10 10 0 105.56 5.54 10 10 1 71.58 5.05 10 10 1 71.97 3.83 10 -10 1 72.07 3.45 -10 -10 -1 79.08 3.97 -10 10 -1 81.63 3.80 -10 10 -1 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-3 24.14 4.03 18 8 -3 27.25 3.95 18 -8 -3 36.62 3.30 -18 8 3 30.86 7.55 -18 -8 3 28.36 7.76 -18 8 3 26.85 3.84 18 8 -2 7.44 3.58 18 8 -2 12.92 3.56 -18 8 2 -2.99 7.28 -18 8 2 11.15 2.46 -18 -8 2 8.74 7.18 18 8 -1 109.45 6.00 -18 -8 1 92.18 8.60 -18 8 1 105.33 5.00 -18 8 1 97.64 8.63 18 8 0 26.37 3.81 -18 -8 0 19.04 7.53 -18 8 0 22.25 3.77 -18 8 0 27.88 7.54 -18 8 0 21.63 3.21 18 8 1 15.53 3.53 -18 8 -1 11.27 3.41 -18 8 -1 16.36 3.27 -18 8 -1 17.29 7.52 18 8 2 21.34 3.81 -18 8 -2 21.80 3.76 -18 8 -2 24.17 3.81 -18 8 -2 24.95 7.32 -18 -8 -2 19.20 6.80 18 8 3 29.64 3.98 -18 8 -3 33.93 4.49 -18 -8 -3 22.86 6.49 -18 8 -3 23.71 7.41 18 8 4 26.92 4.10 -18 8 -4 29.40 5.31 -18 -8 -4 22.62 6.27 18 8 5 104.74 6.44 -18 8 -5 101.59 7.75 18 10 -6 19.60 4.52 -18 -10 6 19.44 3.64 18 10 -5 38.90 4.76 -18 -10 5 39.99 4.20 18 10 -4 56.23 5.10 18 10 -4 47.94 4.89 -18 -10 4 40.71 8.54 -18 -10 4 53.44 4.69 18 10 -3 48.07 4.83 -18 -10 3 60.31 4.66 -18 -10 3 42.29 8.27 -18 10 3 37.00 8.04 18 10 -2 3.31 3.76 -18 10 2 11.14 7.57 -18 -10 2 3.44 7.54 -18 -10 2 12.02 3.68 18 10 -1 6.04 3.65 -18 10 1 4.65 2.39 -18 10 1 3.59 7.31 -18 -10 1 3.19 7.50 -18 -10 1 2.90 3.50 18 10 0 22.29 3.93 -18 10 0 17.17 3.04 -18 -10 0 21.03 3.83 -18 -10 0 13.34 7.65 -18 10 0 17.45 7.69 18 10 1 44.25 4.48 -18 -10 -1 44.29 4.38 -18 10 -1 43.08 3.90 -18 10 -1 31.40 7.93 18 10 2 18.45 3.82 -18 10 -2 20.88 3.82 -18 10 -2 17.40 7.76 -18 -10 -2 18.33 7.09 18 10 3 57.06 4.94 -18 10 -3 53.06 5.01 -18 -10 -3 44.19 7.38 18 10 4 26.67 4.25 -18 10 -4 24.19 5.39 -18 -12 5 48.43 4.57 18 12 -4 7.98 4.09 -18 -12 4 10.68 3.82 18 12 -3 73.20 5.65 -18 -12 3 66.08 5.16 18 12 -2 -1.53 3.80 -18 -12 2 -0.32 3.86 -18 -12 2 1.48 7.84 18 12 -1 1.16 3.52 -18 12 1 -0.93 7.79 -18 -12 1 3.59 7.76 -18 -12 1 -7.80 4.00 18 12 0 -2.61 3.75 -18 12 0 2.93 2.70 -18 12 0 4.02 7.79 -18 -12 0 -2.87 3.81 -18 -12 0 -6.10 7.78 18 12 1 51.01 4.92 -18 12 -1 51.34 4.08 -18 -12 -1 46.69 8.34 18 12 2 0.53 3.72 -18 12 -2 4.91 3.57 -18 -12 -2 -0.10 7.46 -18 -12 -3 40.95 7.77 -18 12 -3 48.14 5.09 -18 12 -4 -2.00 4.91 -18 -14 4 40.61 4.70 -18 -14 -2 14.65 7.91 -18 14 -3 11.33 4.51 19 1 -7 -3.41 3.76 19 -1 -7 -2.82 3.59 19 1 -6 15.67 3.93 19 -1 -6 19.12 3.90 -19 -1 6 18.88 3.42 -19 1 6 22.82 3.53 19 1 -5 111.06 6.24 19 -1 -5 112.96 6.14 -19 -1 5 119.45 6.10 -19 1 5 127.65 9.45 -19 -1 5 125.61 9.20 -19 1 5 116.02 6.05 19 1 -4 23.88 3.95 19 -1 -4 23.93 3.91 -19 1 4 25.43 7.66 -19 -1 4 22.51 7.48 -19 -1 4 21.49 3.80 -19 1 4 22.51 3.87 19 -1 -3 135.61 6.62 19 1 -3 129.32 5.97 19 1 -3 137.69 6.84 -19 -1 3 125.29 9.22 -19 -1 3 125.54 6.45 -19 1 3 118.39 9.21 -19 1 3 134.16 6.60 19 1 -2 5.50 2.94 19 -1 -2 11.23 2.72 -19 1 2 8.39 7.55 -19 1 2 11.53 3.51 -19 -1 2 9.82 3.47 -19 -1 2 7.85 7.07 19 1 -1 4.19 2.82 19 -1 -1 6.51 2.66 -19 1 1 2.20 7.22 -19 -1 1 5.17 3.23 -19 1 1 7.28 3.33 -19 -1 1 14.57 7.21 19 1 0 -0.85 2.87 19 -1 0 3.73 2.76 -19 -1 0 2.45 3.04 -19 -1 0 -2.86 7.10 -19 1 0 2.91 3.18 -19 1 0 2.90 7.10 19 1 1 47.95 3.89 19 -1 1 51.16 3.74 -19 -1 -1 50.39 4.49 -19 1 -1 52.20 4.58 -19 1 -1 47.18 7.90 -19 -1 -1 42.35 7.69 19 1 2 17.99 3.48 19 -1 2 27.43 3.43 -19 1 -2 21.54 3.90 -19 -1 -2 22.52 3.93 -19 -1 -2 15.45 7.08 -19 1 -2 26.66 7.39 19 -1 3 148.41 6.55 19 1 3 141.29 6.69 -19 1 -3 146.60 8.99 -19 -1 -3 142.46 9.21 19 1 4 20.11 3.76 19 -1 4 18.50 3.60 -19 -1 -4 14.55 6.62 -19 1 -4 11.46 6.80 19 3 -7 35.06 4.58 19 3 -6 21.16 4.18 19 -3 -6 27.22 3.78 -19 3 6 21.60 3.62 19 -3 -5 18.79 3.59 19 3 -5 23.26 4.06 -19 3 5 11.28 3.46 19 3 -4 81.58 4.85 19 -3 -4 75.79 4.97 19 3 -4 79.73 5.40 -19 -3 4 80.46 5.07 -19 3 4 74.91 5.10 -19 -3 4 77.58 8.57 -19 3 4 72.45 8.56 19 -3 -3 27.05 3.72 19 3 -3 29.33 3.57 19 3 -3 36.27 4.07 -19 3 3 31.76 7.48 -19 3 3 23.27 3.84 -19 -3 3 27.82 3.88 -19 -3 3 36.69 7.77 19 3 -2 19.21 3.33 -19 -3 2 24.28 3.78 -19 3 2 21.37 7.72 -19 3 2 21.69 3.71 -19 -3 2 19.22 7.34 19 3 -1 58.86 4.15 -19 -3 1 46.08 8.00 -19 3 1 58.80 7.96 -19 -3 1 58.84 4.50 -19 3 1 64.38 4.65 19 3 0 4.89 3.02 -19 3 0 12.19 7.49 -19 3 0 9.18 3.26 -19 -3 0 6.94 7.17 -19 -3 0 17.57 3.53 19 3 1 32.94 3.70 19 -3 1 41.55 3.27 -19 3 -1 38.90 4.29 -19 -3 -1 48.81 4.35 -19 3 -1 35.20 7.44 19 3 2 55.60 4.47 -19 -3 -2 51.25 4.66 -19 3 -2 59.41 7.67 -19 3 -2 54.45 4.60 -19 -3 -2 47.37 7.28 19 3 3 22.97 3.70 -19 3 -3 19.12 7.14 -19 -3 -3 9.65 6.69 19 3 4 61.71 4.86 -19 -3 -4 43.72 7.21 -19 3 -4 48.30 7.38 19 5 -6 14.00 3.90 -19 5 6 12.48 3.57 19 -5 -5 24.54 3.43 19 5 -5 25.03 3.76 19 5 -5 23.41 4.10 -19 5 5 14.53 3.62 19 5 -4 0.57 3.17 19 5 -4 3.87 3.38 19 -5 -4 2.93 2.91 -19 5 4 -2.28 7.57 -19 5 4 -4.39 3.67 -19 -5 4 -6.62 7.84 19 5 -3 30.46 3.94 19 5 -3 21.27 3.55 19 -5 -3 30.17 3.52 -19 5 3 25.59 7.61 -19 5 3 19.70 3.75 -19 -5 3 17.26 7.48 19 5 -2 17.01 3.42 -19 5 2 11.33 2.67 -19 5 2 12.68 3.56 -19 -5 2 4.99 7.36 -19 5 2 9.79 7.44 19 5 -1 87.79 5.25 -19 5 1 81.40 4.67 -19 5 1 89.23 5.49 -19 -5 1 92.05 5.43 -19 5 1 88.19 8.59 -19 -5 1 81.66 8.57 19 5 0 28.64 3.76 -19 5 0 38.76 4.22 -19 -5 0 41.68 4.15 -19 -5 0 22.78 7.45 -19 5 0 33.92 3.73 -19 5 0 30.48 7.79 19 5 1 20.29 3.50 -19 5 -1 15.59 7.35 -19 -5 -1 17.92 3.69 -19 5 -1 17.98 3.51 -19 5 -1 16.79 3.75 19 5 2 4.76 3.23 -19 -5 -2 6.03 6.82 -19 5 -2 -0.12 3.67 -19 -5 -2 0.59 3.65 -19 5 -2 8.44 4.00 19 5 3 5.83 3.36 -19 -5 -3 -1.57 3.92 -19 -5 -3 -5.34 6.87 -19 5 -3 -4.95 7.12 -19 5 -3 2.17 4.69 19 5 4 24.50 4.09 -19 5 -4 22.14 5.80 -19 5 -4 20.17 7.09 19 5 5 128.20 6.94 -19 7 6 48.75 4.42 19 7 -5 11.27 3.68 -19 -7 5 4.19 3.41 -19 7 5 8.64 3.64 19 7 -4 9.56 3.59 19 7 -4 8.67 3.57 -19 7 4 4.29 3.39 19 7 -3 12.52 3.73 19 -7 -3 22.32 3.30 19 7 -3 15.37 3.78 -19 7 3 15.50 7.78 -19 7 3 13.11 3.82 -19 -7 3 7.84 7.78 19 7 -2 72.07 5.05 -19 -7 2 68.44 8.44 -19 7 2 71.24 8.21 -19 7 2 69.62 5.06 19 7 -1 7.09 3.57 -19 7 1 8.82 3.56 -19 7 1 6.81 2.81 -19 -7 1 3.27 7.66 -19 7 1 4.77 7.52 19 7 0 69.52 4.94 -19 7 0 63.70 4.97 -19 7 0 60.69 4.23 -19 7 0 66.87 8.36 -19 -7 0 59.62 8.08 19 7 1 4.58 3.37 -19 7 -1 7.32 3.65 -19 7 -1 9.41 7.54 -19 7 -1 5.77 3.19 19 7 2 2.99 3.36 -19 7 -2 6.59 3.73 -19 -7 -2 3.38 7.14 -19 7 -2 4.77 7.54 19 7 3 16.71 3.90 -19 -7 -3 10.26 6.83 -19 7 -3 18.39 4.55 -19 7 -3 11.82 7.64 19 7 4 29.98 4.34 -19 7 -4 41.06 5.87 19 9 -6 9.67 4.29 -19 9 6 8.28 3.75 19 9 -5 35.28 4.70 -19 9 5 36.20 4.37 -19 -9 5 37.44 4.38 19 9 -4 10.65 4.07 -19 -9 4 13.44 3.88 -19 9 4 11.38 3.82 19 9 -3 45.51 4.80 -19 -9 3 44.21 4.66 -19 9 3 53.16 4.76 19 9 -2 28.24 4.25 -19 -9 2 38.68 4.39 -19 9 2 36.79 4.32 19 9 -1 3.77 3.56 -19 9 1 5.17 7.75 -19 9 1 7.09 3.56 -19 -9 1 1.44 8.07 19 9 0 22.74 3.99 -19 -9 0 29.21 8.19 -19 9 0 22.12 3.97 -19 9 0 27.10 3.36 -19 9 0 23.40 8.21 -19 9 -1 23.53 8.02 -19 -9 -1 15.15 7.72 -19 9 -1 20.39 3.62 19 9 2 12.35 4.12 -19 9 -2 15.91 7.89 -19 9 -2 16.91 4.21 -19 -9 -2 8.63 7.42 19 9 3 60.44 5.26 -19 9 -3 59.73 5.61 -19 9 -4 35.36 6.12 -19 -11 5 6.04 3.90 19 11 -4 70.73 5.83 -19 -11 4 77.52 5.61 19 11 -3 3.86 4.21 -19 -11 3 5.83 4.03 19 11 -2 28.25 4.48 -19 -11 2 27.58 4.40 19 11 -1 -0.64 3.85 -19 -11 1 -2.39 8.15 19 11 0 3.24 3.81 -19 -11 0 -0.43 8.24 19 11 1 3.14 3.76 -19 -11 -1 6.32 8.08 -19 11 -1 4.34 8.42 -19 -11 -2 61.08 8.70 -19 11 -2 60.88 5.06 -19 11 -3 17.70 4.67 -19 -13 -1 8.05 8.36 20 0 -6 13.00 3.86 20 0 -5 3.29 3.81 -20 0 5 0.50 3.48 20 0 -4 130.68 6.99 -20 0 4 118.61 6.35 20 0 -3 -2.97 3.81 -20 0 3 -2.36 7.87 -20 0 3 2.26 3.71 -20 0 2 55.02 4.63 -20 0 2 51.96 8.35 -20 0 1 -5.30 7.84 -20 0 1 -2.86 3.38 -20 0 0 5.68 7.63 -20 0 0 0.94 3.53 -20 0 -1 -3.50 3.63 -20 0 -1 2.52 7.55 -20 0 -2 84.25 8.73 -20 0 -3 -1.35 7.24 20 2 -6 12.98 4.10 -20 2 6 9.84 3.62 20 2 -5 31.66 4.55 20 -2 -5 39.24 4.33 -20 -2 5 33.60 4.05 -20 2 5 33.34 4.15 20 -2 -4 56.25 4.71 20 2 -4 55.02 4.98 -20 -2 4 53.52 4.71 -20 2 4 57.95 4.81 20 -2 -3 29.89 4.17 20 2 -3 35.37 4.25 -20 -2 3 35.14 8.32 -20 -2 3 35.94 4.32 -20 2 3 31.94 8.29 -20 2 3 40.52 4.41 -20 2 2 27.53 8.15 -20 2 2 28.00 4.00 -20 -2 2 26.37 3.96 -20 -2 2 29.38 8.05 20 2 -1 8.25 3.16 -20 2 1 14.12 3.63 -20 -2 1 10.08 7.79 -20 2 1 12.58 7.81 -20 -2 1 11.77 3.61 20 2 0 2.48 3.18 -20 -2 0 5.06 3.57 -20 2 0 8.26 3.58 -20 -2 0 10.10 7.61 -20 2 0 9.43 7.76 20 2 1 34.34 3.93 -20 -2 -1 36.94 4.36 -20 2 -1 32.29 4.41 -20 -2 -1 42.98 8.17 -20 2 -1 32.97 7.96 20 2 2 36.92 4.27 -20 2 -2 44.66 8.14 -20 -2 -2 34.13 7.80 20 2 3 51.86 4.60 -20 -2 -3 49.31 7.76 -20 2 -3 44.54 7.81 20 2 4 69.29 5.20 -20 4 5 7.27 3.59 20 4 -4 10.95 3.71 20 -4 -4 14.34 3.55 -20 4 4 7.66 3.59 20 -4 -3 27.17 3.85 20 4 -3 30.90 3.88 20 4 -3 26.44 4.14 -20 4 3 23.57 3.91 20 4 -2 25.70 3.71 -20 -4 2 23.32 4.00 -20 -4 2 17.65 7.86 -20 4 2 25.39 3.90 -20 4 2 18.90 8.05 20 4 -1 0.09 3.23 -20 -4 1 -3.90 7.66 -20 -4 1 0.23 3.35 -20 4 1 0.59 3.38 -20 4 1 -0.57 7.89 20 4 0 73.71 4.96 -20 -4 0 68.41 8.54 -20 4 0 74.67 8.86 -20 4 0 84.61 5.47 -20 -4 0 78.21 5.33 20 4 1 7.23 3.54 -20 -4 -1 6.22 7.66 -20 4 -1 10.76 7.75 20 4 2 26.84 4.01 -20 4 -2 31.03 4.76 -20 4 -2 21.44 8.03 -20 -4 -2 22.35 7.74 20 4 3 31.99 4.38 -20 -4 -3 25.73 7.56 -20 4 -3 32.63 7.99 -20 4 -3 40.17 5.70 20 4 4 22.49 4.21 20 4 5 9.64 4.23 -20 6 5 38.55 4.50 -20 6 4 0.66 3.62 20 6 -3 0.72 3.51 -20 6 3 -1.93 3.68 20 6 -2 27.41 4.04 -20 6 2 35.07 4.37 -20 -6 2 30.92 8.47 20 6 -1 44.28 4.37 -20 6 1 46.33 8.50 -20 -6 1 46.19 8.53 20 6 0 21.55 3.98 -20 6 0 19.80 8.03 -20 6 0 20.43 3.60 -20 -6 0 20.95 8.25 20 6 1 26.09 4.19 -20 6 -1 27.81 4.07 -20 -6 -1 34.05 8.10 -20 6 -1 38.28 8.26 20 6 2 17.35 3.95 -20 -6 -2 8.17 7.59 -20 6 -2 12.22 4.30 -20 6 -2 16.43 8.13 20 6 3 6.76 3.81 -20 6 -3 4.89 7.99 -20 6 -3 1.01 4.93 20 6 4 12.73 4.25 20 8 -4 35.59 4.65 -20 -8 4 34.75 4.61 20 8 -3 3.34 3.82 20 8 -2 7.12 3.83 20 8 -1 45.89 4.69 -20 -8 1 38.03 8.54 20 8 0 0.71 3.73 -20 -8 0 -0.64 7.88 20 8 1 45.51 4.76 -20 8 -1 30.84 4.14 -20 -8 -1 39.06 8.38 -20 8 -1 31.46 8.64 20 8 2 23.95 4.39 -20 -8 -2 29.06 8.11 -20 8 -2 25.32 8.52 -20 8 -2 23.33 4.60 -20 8 -3 2.37 8.58 -20 8 -3 3.99 4.88 20 10 -3 43.78 5.08 20 10 -2 2.89 4.15 20 10 -1 6.55 4.08 20 10 0 -2.44 4.30 -20 -10 -1 6.91 8.03 -21 -1 5 10.39 3.74 -21 1 5 10.46 3.87 21 -1 -4 6.93 3.89 21 1 -4 6.51 3.95 -21 1 4 3.30 3.77 -21 -1 4 8.72 3.72 21 1 -3 41.99 4.84 21 -1 -3 57.13 4.75 -21 -1 3 49.26 4.77 -21 -1 0 15.48 8.27 -21 1 0 10.09 8.25 -21 1 -1 2.46 8.24 -21 -1 -1 0.63 7.96 -21 -1 -2 10.36 8.11 -21 1 -2 16.20 8.18 -21 3 5 31.95 4.40 21 -3 -3 10.61 3.60 -21 -3 0 -0.22 8.15 -21 -3 -1 41.71 8.83 -21 3 -1 48.12 8.91 -21 -3 -2 24.88 8.35 -21 3 -2 18.55 8.71 -21 -5 0 8.42 8.30 -21 -5 -1 52.21 8.95 -21 5 -2 9.41 8.33 -21 5 -2 7.75 4.65 21 7 1 11.49 4.27 -21 -7 -1 15.30 8.47 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 61941 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 0.43705(3) 0.14215(2) 0.55714(4) 0.03775(11) Uani 1 1 d . . . . . Rh2 Rh 0.51100(3) 0.22939(3) 0.40516(4) 0.04077(12) Uani 1 1 d . . . . . S1 S 0.30462(13) 0.14616(14) 0.4448(2) 0.0714(6) Uani 1 1 d . . . . . S2 S 0.38476(14) 0.23666(16) 0.2793(2) 0.0755(7) Uani 1 1 d . . . . . O1 O 0.2856(7) 0.0927(6) 0.3637(11) 0.091(3) Uani 0.77 1 d . . P . . O2 O 0.2346(6) 0.1777(6) 0.5042(12) 0.105(4) Uani 0.82 1 d . . P . . O3 O 0.3899(6) 0.2017(5) 0.1616(8) 0.105(3) Uani 0.98 1 d . . P . . O4 O 0.3374(8) 0.2975(8) 0.2849(12) 0.100(4) Uani 0.66 1 d . . P . . O5 O 0.3211(13) 0.1618(13) 0.3039(18) 0.052(5) Uani 0.25 1 d . . P . . O6 O 0.2991(8) 0.2213(8) 0.3598(14) 0.082(4) Uani 0.52 1 d . . P . . O7 O 0.7589(7) -0.0297(8) 0.6144(14) 0.147(5) Uani 1 1 d . . . . . O8 O 0.4978(7) 0.5459(5) 0.3346(11) 0.117(3) Uani 1 1 d . . . . . C1 C 0.5345(5) 0.0822(4) 0.6853(7) 0.0501(16) Uani 1 1 d . . . . . C2 C 0.4706(6) 0.0362(4) 0.6339(7) 0.0543(18) Uani 1 1 d . . . . . C3 C 0.3859(7) 0.0552(5) 0.6719(10) 0.068(2) Uani 1 1 d . . . . . C4 C 0.3969(6) 0.1141(5) 0.7483(8) 0.065(2) Uani 1 1 d . . . . . C5 C 0.4881(7) 0.1315(4) 0.7602(7) 0.063(2) Uani 1 1 d . . . . . C6 C 0.6313(6) 0.0761(6) 0.6761(12) 0.077(3) Uani 1 1 d . . . . . H6A H 0.6582 0.1209 0.6925 0.092 Uiso 1 1 calc R U . . . H6B H 0.6438 0.0629 0.5910 0.092 Uiso 1 1 calc R U . . . C7 C 0.4878(10) -0.0271(5) 0.5565(11) 0.093(4) Uani 1 1 d . . . . . H7A H 0.4358 -0.0380 0.5049 0.112 Uiso 1 1 calc R U . . . H7B H 0.5022 -0.0654 0.6112 0.112 Uiso 1 1 calc R U . . . H7C H 0.5364 -0.0183 0.5041 0.112 Uiso 1 1 calc R U . . . C8 C 0.3031(8) 0.0151(8) 0.6460(16) 0.120(6) Uani 1 1 d . . . . . H8A H 0.3002 -0.0220 0.7055 0.144 Uiso 1 1 calc R U . . . H8B H 0.3027 -0.0036 0.5625 0.144 Uiso 1 1 calc R U . . . H8C H 0.2529 0.0450 0.6532 0.144 Uiso 1 1 calc R U . . . C9 C 0.3232(10) 0.1476(8) 0.8182(13) 0.121(6) Uani 1 1 d . . . . . H9A H 0.3348 0.1962 0.8274 0.145 Uiso 1 1 calc R U . . . H9B H 0.3203 0.1268 0.8997 0.145 Uiso 1 1 calc R U . . . H9C H 0.2678 0.1410 0.7717 0.145 Uiso 1 1 calc R U . . . C10 C 0.5283(12) 0.1845(6) 0.8423(10) 0.104(4) Uani 1 1 d . . . . . H10A H 0.5875 0.1935 0.8183 0.125 Uiso 1 1 calc R U . . . H10B H 0.5299 0.1686 0.9277 0.125 Uiso 1 1 calc R U . . . H10C H 0.4940 0.2262 0.8350 0.125 Uiso 1 1 calc R U . . . C11 C 0.6735(6) 0.0236(7) 0.7669(11) 0.089(3) Uani 1 1 d . . . . . H11A H 0.6760 0.0426 0.8512 0.107 Uiso 1 1 calc R U . . . H11B H 0.6373 -0.0178 0.7668 0.107 Uiso 1 1 calc R U . . . C12 C 0.7656(8) 0.0050(10) 0.7311(17) 0.122(6) Uani 1 1 d . . . . . H12A H 0.8011 0.0465 0.7245 0.147 Uiso 1 1 calc R U . . . H12B H 0.7938 -0.0247 0.7947 0.147 Uiso 1 1 calc R U . . . C13 C 0.8367(13) -0.0435(19) 0.564(2) 0.251(19) Uani 1 1 d . . . . . H13A H 0.8666 -0.0796 0.6111 0.301 Uiso 1 1 calc R U . . . H13B H 0.8727 -0.0026 0.5663 0.301 Uiso 1 1 calc R U . . . H13C H 0.8262 -0.0581 0.4784 0.301 Uiso 1 1 calc R U . . . C14 C 0.5778(5) 0.3320(4) 0.3959(9) 0.0575(19) Uani 1 1 d . . . . . C15 C 0.5791(5) 0.3003(4) 0.2754(8) 0.0526(17) Uani 1 1 d . . . . . C16 C 0.6305(5) 0.2383(4) 0.2882(8) 0.0551(18) Uani 1 1 d . . . . . C17 C 0.6635(4) 0.2339(4) 0.4132(8) 0.0550(18) Uani 1 1 d . . . . . C18 C 0.6321(5) 0.2907(5) 0.4817(8) 0.0597(19) Uani 1 1 d . . . . . C19 C 0.5383(5) 0.4009(5) 0.4229(12) 0.074(3) Uani 1 1 d . . . . . H19A H 0.5248 0.4031 0.5108 0.089 Uiso 1 1 calc R U . . . H19B H 0.4834 0.4065 0.3729 0.089 Uiso 1 1 calc R U . . . C20 C 0.5412(7) 0.3273(6) 0.1537(10) 0.082(3) Uani 1 1 d . . . . . H20A H 0.5035 0.3660 0.1689 0.098 Uiso 1 1 calc R U . . . H20B H 0.5073 0.2916 0.1111 0.098 Uiso 1 1 calc R U . . . H20C H 0.5883 0.3417 0.1026 0.098 Uiso 1 1 calc R U . . . C21 C 0.6561(9) 0.1920(6) 0.1820(12) 0.091(4) Uani 1 1 d . . . . . H21A H 0.6870 0.1522 0.2158 0.109 Uiso 1 1 calc R U . . . H21B H 0.6940 0.2169 0.1282 0.109 Uiso 1 1 calc R U . . . H21C H 0.6038 0.1774 0.1346 0.109 Uiso 1 1 calc R U . . . C22 C 0.7315(6) 0.1831(7) 0.4605(13) 0.090(4) Uani 1 1 d . . . . . H22A H 0.7372 0.1855 0.5505 0.109 Uiso 1 1 calc R U . . . H22B H 0.7873 0.1939 0.4263 0.109 Uiso 1 1 calc R U . . . H22C H 0.7137 0.1374 0.4353 0.109 Uiso 1 1 calc R U . . . C23 C 0.6568(7) 0.3081(8) 0.6137(11) 0.098(4) Uani 1 1 d . . . . . H23A H 0.6194 0.3447 0.6410 0.118 Uiso 1 1 calc R U . . . H23B H 0.7174 0.3228 0.6205 0.118 Uiso 1 1 calc R U . . . H23C H 0.6494 0.2681 0.6655 0.118 Uiso 1 1 calc R U . . . C24 C 0.6023(7) 0.4602(6) 0.3930(18) 0.117(6) Uani 1 1 d . . . . . H24A H 0.6575 0.4539 0.4423 0.141 Uiso 1 1 calc R U . . . H24B H 0.6155 0.4578 0.3050 0.141 Uiso 1 1 calc R U . . . C25 C 0.5666(8) 0.5294(6) 0.4193(18) 0.115(5) Uani 1 1 d . . . . . H25A H 0.5457 0.5303 0.5039 0.138 Uiso 1 1 calc R U . . . H25B H 0.6133 0.5636 0.4144 0.138 Uiso 1 1 calc R U . . . C26 C 0.4682(13) 0.6105(8) 0.3539(15) 0.127(6) Uani 1 1 d . . . . . H26A H 0.5176 0.6417 0.3616 0.152 Uiso 1 1 calc R U . . . H26B H 0.4365 0.6116 0.4297 0.152 Uiso 1 1 calc R U . . . H26C H 0.4294 0.6243 0.2843 0.152 Uiso 1 1 calc R U . . . C27 C 0.4974(5) 0.1243(4) 0.3927(7) 0.0483(17) Uani 1 1 d . . . . . H27A H 0.5522 0.0983 0.4008 0.058 Uiso 1 1 calc R U . . . H27B H 0.4586 0.1080 0.3236 0.058 Uiso 1 1 calc R U . . . C28 C 0.4346(6) 0.2477(4) 0.5558(9) 0.0466(13) Uani 1 1 d . . . . . H28A H 0.4650 0.2698 0.6274 0.056 Uiso 1 1 calc R U . . . H28B H 0.3771 0.2682 0.5354 0.056 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 0.0341(2) 0.0426(2) 0.0368(2) -0.0005(2) 0.00491(17) 0.0030(2) Rh2 0.03037(19) 0.0524(3) 0.0390(2) 0.0071(2) -0.00391(17) -0.0022(2) S1 0.0375(8) 0.1018(18) 0.0735(15) -0.0077(12) -0.0107(9) -0.0063(10) S2 0.0458(10) 0.1078(19) 0.0699(14) 0.0273(13) -0.0267(10) -0.0110(11) O1 0.069(5) 0.105(7) 0.099(7) -0.020(6) -0.008(5) -0.030(5) O2 0.047(4) 0.138(9) 0.127(9) -0.046(7) -0.011(5) 0.017(5) O3 0.101(6) 0.129(7) 0.078(5) 0.000(5) -0.048(5) -0.017(5) O4 0.068(7) 0.144(12) 0.087(8) 0.019(8) -0.028(6) 0.027(7) O5 0.044(10) 0.079(15) 0.032(9) 0.012(9) -0.021(8) -0.022(10) O6 0.042(6) 0.112(11) 0.090(9) 0.035(9) -0.027(6) -0.007(6) O7 0.098(7) 0.187(12) 0.160(11) 0.037(9) 0.040(8) 0.066(7) O8 0.096(6) 0.074(5) 0.179(10) -0.022(5) -0.012(6) -0.004(4) C1 0.049(3) 0.051(4) 0.051(4) 0.015(3) 0.007(3) 0.010(3) C2 0.072(5) 0.044(4) 0.048(4) 0.004(3) 0.012(4) -0.003(3) C3 0.067(5) 0.064(5) 0.073(6) 0.023(4) 0.003(4) -0.007(4) C4 0.062(5) 0.085(6) 0.050(4) 0.020(4) 0.022(4) 0.021(4) C5 0.103(7) 0.045(4) 0.039(4) 0.001(3) -0.005(4) 0.008(4) C6 0.050(4) 0.086(7) 0.096(7) 0.040(6) 0.010(5) 0.008(4) C7 0.150(11) 0.046(4) 0.083(7) -0.007(4) 0.011(7) 0.000(6) C8 0.072(7) 0.138(12) 0.147(13) 0.065(10) -0.014(8) -0.041(7) C9 0.132(11) 0.150(12) 0.085(8) 0.030(8) 0.063(8) 0.079(10) C10 0.172(14) 0.083(8) 0.055(6) -0.011(5) -0.017(7) -0.003(8) C11 0.056(5) 0.123(9) 0.089(7) 0.042(6) 0.007(5) 0.026(5) C12 0.062(6) 0.165(15) 0.141(13) 0.074(12) 0.013(8) 0.034(8) C13 0.114(14) 0.50(6) 0.146(18) 0.10(3) 0.065(14) 0.12(2) C14 0.037(3) 0.052(4) 0.085(6) -0.010(4) 0.009(3) -0.010(3) C15 0.040(3) 0.062(4) 0.055(4) 0.007(3) -0.001(3) -0.004(3) C16 0.052(4) 0.053(4) 0.062(5) 0.007(3) 0.018(4) -0.010(3) C17 0.032(3) 0.068(5) 0.066(5) 0.017(4) 0.006(3) -0.002(3) C18 0.031(3) 0.082(5) 0.064(5) 0.000(4) -0.008(3) -0.014(3) C19 0.040(3) 0.058(5) 0.124(8) -0.019(5) 0.001(5) -0.008(3) C20 0.080(6) 0.094(7) 0.071(6) 0.037(5) -0.005(5) -0.021(5) C21 0.099(8) 0.073(6) 0.104(9) -0.014(6) 0.052(7) -0.011(6) C22 0.045(4) 0.113(9) 0.115(9) 0.054(7) 0.016(5) 0.006(5) C23 0.047(5) 0.177(14) 0.071(7) -0.018(7) -0.010(5) -0.020(6) C24 0.050(5) 0.081(7) 0.220(18) -0.055(9) 0.011(7) -0.004(5) C25 0.075(7) 0.069(7) 0.199(16) -0.053(8) 0.002(9) -0.025(6) C26 0.169(16) 0.093(10) 0.116(12) 0.008(8) -0.024(11) -0.015(10) C27 0.051(4) 0.057(4) 0.038(4) -0.005(3) 0.008(3) -0.006(3) C28 0.046(3) 0.044(3) 0.050(4) 0.004(3) 0.007(3) 0.006(3) 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 99.9(4) . . ? C28 Rh1 C4 104.2(4) . . ? C27 Rh1 C4 154.0(3) . . ? C28 Rh1 C3 138.4(4) . . ? C27 Rh1 C3 121.5(4) . . ? C4 Rh1 C3 36.7(4) . . ? C28 Rh1 C2 156.2(4) . . ? C27 Rh1 C2 93.2(3) . . ? C4 Rh1 C2 60.8(3) . . ? C3 Rh1 C2 36.6(3) . . ? C28 Rh1 C5 95.9(3) . . ? C27 Rh1 C5 131.1(4) . . ? C4 Rh1 C5 36.8(4) . . ? C3 Rh1 C5 61.4(4) . . ? C2 Rh1 C5 60.8(3) . . ? C28 Rh1 C1 121.6(3) . . ? C27 Rh1 C1 97.2(3) . . ? C4 Rh1 C1 61.5(3) . . ? C3 Rh1 C1 61.4(3) . . ? C2 Rh1 C1 36.1(3) . . ? C5 Rh1 C1 37.1(3) . . ? C28 Rh1 S1 87.0(3) . . ? C27 Rh1 S1 88.5(2) . . ? C4 Rh1 S1 102.5(3) . . ? C3 Rh1 S1 89.6(3) . . ? C2 Rh1 S1 113.4(2) . . ? C5 Rh1 S1 138.6(3) . . ? C1 Rh1 S1 149.0(2) . . ? C28 Rh1 Rh2 50.4(3) . . ? C27 Rh1 Rh2 50.0(2) . . ? C4 Rh1 Rh2 150.1(3) . . ? C3 Rh1 Rh2 171.2(3) . . ? C2 Rh1 Rh2 135.4(2) . . ? C5 Rh1 Rh2 120.7(2) . . ? C1 Rh1 Rh2 114.49(18) . . ? S1 Rh1 Rh2 92.54(7) . . ? C27 Rh2 C28 99.4(3) . . ? C27 Rh2 C14 157.6(3) . . ? C28 Rh2 C14 98.9(3) . . ? C27 Rh2 C15 128.1(3) . . ? C28 Rh2 C15 132.3(3) . . ? C14 Rh2 C15 37.2(3) . . ? C27 Rh2 C16 97.0(3) . . ? C28 Rh2 C16 156.5(3) . . ? C14 Rh2 C16 61.9(3) . . ? C15 Rh2 C16 37.2(3) . . ? C27 Rh2 S2 86.8(2) . . ? C28 Rh2 S2 87.8(3) . . ? C14 Rh2 S2 106.6(2) . . ? C15 Rh2 S2 89.8(2) . . ? C16 Rh2 S2 109.9(2) . . ? C27 Rh2 C18 127.7(3) . . ? C28 Rh2 C18 96.0(3) . . ? C14 Rh2 C18 37.0(3) . . ? C15 Rh2 C18 61.2(3) . . ? C16 Rh2 C18 60.6(3) . . ? S2 Rh2 C18 143.7(2) . . ? C27 Rh2 C17 97.9(3) . . ? C28 Rh2 C17 124.4(4) . . ? C14 Rh2 C17 60.9(3) . . ? C15 Rh2 C17 60.6(3) . . ? C16 Rh2 C17 35.8(3) . . ? S2 Rh2 C17 145.6(2) . . ? C18 Rh2 C17 35.8(3) . . ? C27 Rh2 Rh1 50.1(2) . . ? C28 Rh2 Rh1 49.85(19) . . ? C14 Rh2 Rh1 143.7(2) . . ? C15 Rh2 Rh1 177.4(2) . . ? C16 Rh2 Rh1 140.2(2) . . ? S2 Rh2 Rh1 91.87(6) . . ? C18 Rh2 Rh1 118.0(2) . . ? C17 Rh2 Rh1 117.22(19) . . ? O1 S1 O2 118.3(6) . . ? O1 S1 O5 65.1(10) . . ? O2 S1 O5 120.7(11) . . ? O1 S1 O6 107.7(8) . . ? O2 S1 O6 81.5(8) . . ? O5 S1 O6 48.2(10) . . ? O1 S1 Rh1 117.2(5) . . ? O2 S1 Rh1 116.2(4) . . ? O5 S1 Rh1 109.4(7) . . ? O6 S1 Rh1 108.9(4) . . ? O4 S2 O3 119.5(7) . . ? O4 S2 O6 72.7(8) . . ? O3 S2 O6 117.4(7) . . ? O4 S2 O5 113.9(11) . . ? O3 S2 O5 78.3(8) . . ? O6 S2 O5 46.6(9) . . ? O4 S2 Rh2 116.6(6) . . ? O3 S2 Rh2 113.9(4) . . ? O6 S2 Rh2 110.2(4) . . ? O5 S2 Rh2 108.0(6) . . ? S1 O1 O5 63.4(9) . . ? S2 O4 O6 59.8(7) . . ? O6 O5 S1 71.7(12) . . ? O6 O5 O1 116.5(16) . . ? S1 O5 O1 51.5(7) . . ? O6 O5 S2 60.9(11) . . ? S1 O5 S2 114.6(12) . . ? O1 O5 S2 161.6(12) . . ? O5 O6 S2 72.5(12) . . ? O5 O6 S1 60.1(10) . . ? S2 O6 S1 114.7(8) . . ? O5 O6 O4 114.5(14) . . ? S2 O6 O4 47.5(6) . . ? S1 O6 O4 158.2(8) . . ? C13 O7 C12 115.0(19) . . ? C26 O8 C25 111.0(11) . . ? C2 C1 C5 106.8(7) . . ? C2 C1 C6 126.0(8) . . ? C5 C1 C6 126.8(9) . . ? C2 C1 Rh1 71.2(4) . . ? C5 C1 Rh1 71.2(4) . . ? C6 C1 Rh1 127.9(6) . . ? C1 C2 C3 109.8(7) . . ? C1 C2 C7 126.5(9) . . ? C3 C2 C7 123.6(9) . . ? C1 C2 Rh1 72.7(4) . . ? C3 C2 Rh1 71.1(5) . . ? C7 C2 Rh1 125.6(6) . . ? C4 C3 C2 107.1(8) . . ? C4 C3 C8 127.2(11) . . ? C2 C3 C8 125.4(11) . . ? C4 C3 Rh1 71.0(5) . . ? C2 C3 Rh1 72.3(5) . . ? C8 C3 Rh1 127.0(8) . . ? C3 C4 C5 109.3(7) . . ? C3 C4 C9 124.2(11) . . ? C5 C4 C9 126.1(11) . . ? C3 C4 Rh1 72.3(5) . . ? C5 C4 Rh1 73.4(4) . . ? C9 C4 Rh1 125.9(7) . . ? C4 C5 C1 106.9(7) . . ? C4 C5 C10 126.4(10) . . ? C1 C5 C10 126.5(11) . . ? C4 C5 Rh1 69.8(5) . . ? C1 C5 Rh1 71.6(4) . . ? C10 C5 Rh1 128.3(7) . . ? C1 C6 C11 113.4(8) . . ? C1 C6 H6A 108.9 . . ? C11 C6 H6A 108.9 . . ? C1 C6 H6B 108.9 . . ? C11 C6 H6B 108.9 . . ? H6A C6 H6B 107.7 . . ? 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 111.2(9) . . ? C12 C11 H11A 109.4 . . ? C6 C11 H11A 109.4 . . ? C12 C11 H11B 109.4 . . ? C6 C11 H11B 109.4 . . ? H11A C11 H11B 108.0 . . ? O7 C12 C11 108.1(13) . . ? O7 C12 H12A 110.1 . . ? C11 C12 H12A 110.1 . . ? O7 C12 H12B 110.1 . . ? C11 C12 H12B 110.1 . . ? H12A C12 H12B 108.4 . . ? 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 . . ? C15 C14 C18 107.5(7) . . ? C15 C14 C19 125.6(9) . . ? C18 C14 C19 126.3(9) . . ? C15 C14 Rh2 71.6(4) . . ? C18 C14 Rh2 74.0(4) . . ? C19 C14 Rh2 126.8(5) . . ? C14 C15 C16 107.9(7) . . ? C14 C15 C20 127.8(9) . . ? C16 C15 C20 124.1(9) . . ? C14 C15 Rh2 71.2(4) . . ? C16 C15 Rh2 72.1(4) . . ? C20 C15 Rh2 125.9(6) . . ? C17 C16 C15 107.9(7) . . ? C17 C16 C21 125.7(9) . . ? C15 C16 C21 125.8(9) . . ? C17 C16 Rh2 74.1(4) . . ? C15 C16 Rh2 70.7(4) . . ? C21 C16 Rh2 127.8(6) . . ? C16 C17 C18 109.3(7) . . ? C16 C17 C22 124.6(9) . . ? C18 C17 C22 125.5(9) . . ? C16 C17 Rh2 70.1(4) . . ? C18 C17 Rh2 71.8(4) . . ? C22 C17 Rh2 131.3(6) . . ? C17 C18 C14 107.4(7) . . ? C17 C18 C23 126.4(9) . . ? C14 C18 C23 126.0(10) . . ? C17 C18 Rh2 72.4(4) . . ? C14 C18 Rh2 69.0(4) . . ? C23 C18 Rh2 127.9(7) . . ? C14 C19 C24 111.2(7) . . ? C14 C19 H19A 109.4 . . ? C24 C19 H19A 109.4 . . ? C14 C19 H19B 109.4 . . ? C24 C19 H19B 109.4 . . ? H19A C19 H19B 108.0 . . ? 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 113.3(9) . . ? C25 C24 H24A 108.9 . . ? C19 C24 H24A 108.9 . . ? C25 C24 H24B 108.9 . . ? C19 C24 H24B 108.9 . . ? H24A C24 H24B 107.7 . . ? O8 C25 C24 110.9(11) . . ? O8 C25 H25A 109.5 . . ? C24 C25 H25A 109.5 . . ? O8 C25 H25B 109.5 . . ? C24 C25 H25B 109.5 . . ? 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 79.9(3) . . ? 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 79.8(3) . . ? Rh1 C28 H28A 115.3 . . ? Rh2 C28 H28A 115.3 . . ? Rh1 C28 H28B 115.3 . . ? Rh2 C28 H28B 115.3 . . ? 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 2.041(7) . ? Rh1 C27 2.046(8) . ? Rh1 C4 2.223(8) . ? Rh1 C3 2.240(8) . ? Rh1 C2 2.255(7) . ? Rh1 C5 2.270(8) . ? Rh1 C1 2.275(7) . ? Rh1 S1 2.281(2) . ? Rh1 Rh2 2.6275(6) . ? Rh2 C27 2.046(8) . ? Rh2 C28 2.056(9) . ? Rh2 C14 2.230(7) . ? Rh2 C15 2.234(8) . ? Rh2 C16 2.254(7) . ? Rh2 S2 2.281(2) . ? Rh2 C18 2.296(7) . ? Rh2 C17 2.305(7) . ? S1 O1 1.369(10) . ? S1 O2 1.400(9) . ? S1 O5 1.565(19) . ? S1 O6 1.713(14) . ? S2 O4 1.380(14) . ? S2 O3 1.430(10) . ? S2 O6 1.617(14) . ? S2 O5 1.77(2) . ? O1 O5 1.59(2) . ? O4 O6 1.79(2) . ? O5 O6 1.35(3) . ? O7 C13 1.343(18) . ? O7 C12 1.41(2) . ? O8 C26 1.347(17) . ? O8 C25 1.381(18) . ? C1 C2 1.404(12) . ? C1 C5 1.447(11) . ? C1 C6 1.477(11) . ? C2 C3 1.411(13) . ? C2 C7 1.507(12) . ? C3 C4 1.405(15) . ? C3 C8 1.486(15) . ? C4 C5 1.419(14) . ? C4 C9 1.518(12) . ? C5 C10 1.460(14) . ? C6 C11 1.521(13) . ? 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 1.506(15) . ? 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 C15 1.423(12) . ? C14 C18 1.439(12) . ? C14 C19 1.495(12) . ? C15 C16 1.431(12) . ? C15 C20 1.487(12) . ? C16 C17 1.402(12) . ? C16 C21 1.509(13) . ? C17 C18 1.414(13) . ? C17 C22 1.490(12) . ? C18 C23 1.476(14) . ? C19 C24 1.545(15) . ? 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 1.474(15) . ? 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 112.8(12) . . . . ? O6 S1 O1 O5 23.1(10) . . . . ? Rh1 S1 O1 O5 -100.0(10) . . . . ? O3 S2 O4 O6 112.1(8) . . . . ? O5 S2 O4 O6 22.4(9) . . . . ? Rh2 S2 O4 O6 -104.4(6) . . . . ? O1 S1 O5 O6 149.9(12) . . . . ? O2 S1 O5 O6 40.4(12) . . . . ? Rh1 S1 O5 O6 -98.4(9) . . . . ? O2 S1 O5 O1 -109.4(10) . . . . ? O6 S1 O5 O1 -149.9(12) . . . . ? Rh1 S1 O5 O1 111.7(6) . . . . ? O1 S1 O5 S2 -165.8(17) . . . . ? O2 S1 O5 S2 84.8(14) . . . . ? O6 S1 O5 S2 44.3(11) . . . . ? Rh1 S1 O5 S2 -54.1(16) . . . . ? S1 O1 O5 O6 -32.2(11) . . . . ? S1 O1 O5 S2 45(6) . . . . ? O4 S2 O5 O6 -30.0(12) . . . . ? O3 S2 O5 O6 -147.3(10) . . . . ? Rh2 S2 O5 O6 101.1(9) . . . . ? O4 S2 O5 S1 -79.4(15) . . . . ? O3 S2 O5 S1 163.3(16) . . . . ? O6 S2 O5 S1 -49.4(13) . . . . ? Rh2 S2 O5 S1 51.7(16) . . . . ? O4 S2 O5 O1 -117(6) . . . . ? O3 S2 O5 O1 126(6) . . . . ? O6 S2 O5 O1 -87(6) . . . . ? Rh2 S2 O5 O1 14(6) . . . . ? S1 O5 O6 S2 133.3(7) . . . . ? O1 O5 O6 S2 159.4(14) . . . . ? O1 O5 O6 S1 26.1(9) . . . . ? S2 O5 O6 S1 -133.3(7) . . . . ? S1 O5 O6 O4 156.2(9) . . . . ? O1 O5 O6 O4 -177.8(10) . . . . ? S2 O5 O6 O4 22.9(8) . . . . ? O4 S2 O6 O5 151.4(12) . . . . ? O3 S2 O6 O5 36.6(11) . . . . ? Rh2 S2 O6 O5 -96.0(10) . . . . ? O4 S2 O6 S1 -164.7(11) . . . . ? O3 S2 O6 S1 80.5(10) . . . . ? O5 S2 O6 S1 44.0(10) . . . . ? Rh2 S2 O6 S1 -52.1(10) . . . . ? O3 S2 O6 O4 -114.8(8) . . . . ? O5 S2 O6 O4 -151.4(12) . . . . ? Rh2 S2 O6 O4 112.6(6) . . . . ? O1 S1 O6 O5 -28.5(11) . . . . ? O2 S1 O6 O5 -145.6(11) . . . . ? Rh1 S1 O6 O5 99.5(10) . . . . ? O1 S1 O6 S2 -78.3(10) . . . . ? O2 S1 O6 S2 164.6(10) . . . . ? O5 S1 O6 S2 -49.8(12) . . . . ? Rh1 S1 O6 S2 49.7(11) . . . . ? O1 S1 O6 O4 -110(3) . . . . ? O2 S1 O6 O4 133(3) . . . . ? O5 S1 O6 O4 -81(3) . . . . ? Rh1 S1 O6 O4 18(4) . . . . ? S2 O4 O6 O5 -30.2(11) . . . . ? S2 O4 O6 S1 40(3) . . . . ? C5 C1 C2 C3 0.9(9) . . . . ? C6 C1 C2 C3 174.5(8) . . . . ? Rh1 C1 C2 C3 -61.8(6) . . . . ? C5 C1 C2 C7 -175.4(9) . . . . ? C6 C1 C2 C7 -1.9(13) . . . . ? Rh1 C1 C2 C7 121.8(9) . . . . ? C5 C1 C2 Rh1 62.7(5) . . . . ? C6 C1 C2 Rh1 -123.7(8) . . . . ? C1 C2 C3 C4 -0.1(9) . . . . ? C7 C2 C3 C4 176.4(8) . . . . ? Rh1 C2 C3 C4 -62.9(6) . . . . ? C1 C2 C3 C8 -174.0(9) . . . . ? C7 C2 C3 C8 2.5(15) . . . . ? Rh1 C2 C3 C8 123.2(10) . . . . ? C1 C2 C3 Rh1 62.8(5) . . . . ? C7 C2 C3 Rh1 -120.7(9) . . . . ? C2 C3 C4 C5 -0.8(10) . . . . ? C8 C3 C4 C5 173.0(10) . . . . ? Rh1 C3 C4 C5 -64.5(6) . . . . ? C2 C3 C4 C9 -174.4(9) . . . . ? C8 C3 C4 C9 -0.6(16) . . . . ? Rh1 C3 C4 C9 121.9(9) . . . . ? C2 C3 C4 Rh1 63.7(6) . . . . ? C8 C3 C4 Rh1 -122.5(11) . . . . ? C3 C4 C5 C1 1.4(9) . . . . ? C9 C4 C5 C1 174.8(9) . . . . ? Rh1 C4 C5 C1 -62.5(5) . . . . ? C3 C4 C5 C10 -172.8(9) . . . . ? C9 C4 C5 C10 0.6(15) . . . . ? Rh1 C4 C5 C10 123.3(9) . . . . ? C3 C4 C5 Rh1 63.8(6) . . . . ? C9 C4 C5 Rh1 -122.7(10) . . . . ? C2 C1 C5 C4 -1.4(8) . . . . ? C6 C1 C5 C4 -174.9(8) . . . . ? Rh1 C1 C5 C4 61.3(5) . . . . ? C2 C1 C5 C10 172.8(9) . . . . ? C6 C1 C5 C10 -0.7(13) . . . . ? Rh1 C1 C5 C10 -124.5(9) . . . . ? C2 C1 C5 Rh1 -62.7(5) . . . . ? C6 C1 C5 Rh1 123.8(8) . . . . ? C2 C1 C6 C11 -78.3(14) . . . . ? C5 C1 C6 C11 94.0(12) . . . . ? Rh1 C1 C6 C11 -171.8(8) . . . . ? C1 C6 C11 C12 164.6(13) . . . . ? C13 O7 C12 C11 173.6(18) . . . . ? C6 C11 C12 O7 -65.7(17) . . . . ? C18 C14 C15 C16 2.5(8) . . . . ? C19 C14 C15 C16 174.2(7) . . . . ? Rh2 C14 C15 C16 -63.3(5) . . . . ? C18 C14 C15 C20 -172.8(8) . . . . ? C19 C14 C15 C20 -1.1(13) . . . . ? Rh2 C14 C15 C20 121.4(9) . . . . ? C18 C14 C15 Rh2 65.8(5) . . . . ? C19 C14 C15 Rh2 -122.5(7) . . . . ? C14 C15 C16 C17 -2.6(8) . . . . ? C20 C15 C16 C17 173.0(7) . . . . ? Rh2 C15 C16 C17 -65.3(5) . . . . ? C14 C15 C16 C21 -174.1(8) . . . . ? C20 C15 C16 C21 1.4(13) . . . . ? Rh2 C15 C16 C21 123.2(9) . . . . ? C14 C15 C16 Rh2 62.7(5) . . . . ? C20 C15 C16 Rh2 -121.7(8) . . . . ? C15 C16 C17 C18 1.6(8) . . . . ? C21 C16 C17 C18 173.2(8) . . . . ? Rh2 C16 C17 C18 -61.4(5) . . . . ? C15 C16 C17 C22 -169.9(8) . . . . ? C21 C16 C17 C22 1.7(13) . . . . ? Rh2 C16 C17 C22 127.1(8) . . . . ? C15 C16 C17 Rh2 63.0(5) . . . . ? C21 C16 C17 Rh2 -125.4(8) . . . . ? C16 C17 C18 C14 0.0(8) . . . . ? C22 C17 C18 C14 171.4(7) . . . . ? Rh2 C17 C18 C14 -60.4(5) . . . . ? C16 C17 C18 C23 -175.1(9) . . . . ? C22 C17 C18 C23 -3.7(13) . . . . ? Rh2 C17 C18 C23 124.5(9) . . . . ? C16 C17 C18 Rh2 60.4(5) . . . . ? C22 C17 C18 Rh2 -128.2(8) . . . . ? C15 C14 C18 C17 -1.6(8) . . . . ? C19 C14 C18 C17 -173.1(7) . . . . ? Rh2 C14 C18 C17 62.6(5) . . . . ? C15 C14 C18 C23 173.5(8) . . . . ? C19 C14 C18 C23 1.9(13) . . . . ? Rh2 C14 C18 C23 -122.3(9) . . . . ? C15 C14 C18 Rh2 -64.2(5) . . . . ? C19 C14 C18 Rh2 124.2(8) . . . . ? C15 C14 C19 C24 -81.3(12) . . . . ? C18 C14 C19 C24 88.8(13) . . . . ? Rh2 C14 C19 C24 -174.1(9) . . . . ? C14 C19 C24 C25 -179.5(13) . . . . ? C26 O8 C25 C24 -176.6(14) . . . . ? C19 C24 C25 O8 -70.0(19) . . . . ?