#------------------------------------------------------------------------------ #$Date: 2021-11-26 01:53:58 +0200 (Fri, 26 Nov 2021) $ #$Revision: 270881 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708925.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_7708925 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 93.806(3) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 15.0178(5) _cell_length_b 19.5152(7) _cell_length_c 10.5665(3) _cell_measurement_reflns_used 8211 _cell_measurement_temperature 296 _cell_measurement_theta_max 31.43 _cell_measurement_theta_min 2.74 _cell_volume 3089.95(18) _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 0.898 _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 0.0297 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.898 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 16536 _diffrn_reflns_point_group_measured_fraction_full 0.922 _diffrn_reflns_point_group_measured_fraction_max 0.791 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.283 _diffrn_reflns_theta_min 2.719 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.239 _exptl_absorpt_correction_T_max 0.883 _exptl_absorpt_correction_T_min 0.843 _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 1.609 _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 0.58 _refine_diff_density_min -0.68 _refine_ls_abs_structure_details ; Flack x determined using 3058 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.01(2) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_hydrogen_treatment constr _refine_ls_number_parameters 353 _refine_ls_number_reflns 7972 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0320 _refine_ls_R_factor_gt 0.0280 _refine_ls_shift/su_max 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0390P)^2^+1.3574P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0716 _refine_ls_wR_factor_ref 0.0737 _reflns_Friedel_coverage 0.759 _reflns_Friedel_fraction_full 0.846 _reflns_Friedel_fraction_max 0.683 _reflns_number_gt 7446 _reflns_number_total 7972 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file d1dt03347f2.cif _cod_data_source_block sample1 _cod_database_code 7708925 _shelx_res_file ; shelxl.res created by SHELXL-2014/7 TITL sample1 CELL 0.71075 15.01780 19.51520 10.56650 90.00000 93.80600 90.00000 ZERR 4 0.00050 0.00070 0.00030 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 0.039000 1.357400 FVAR 0.20905 RH1 3 0.438787 0.143647 0.559899 11.00000 0.02595 0.03397 = 0.02606 -0.00075 0.00069 0.00321 RH2 3 0.514083 0.232136 0.412310 11.00000 0.02450 0.03849 = 0.02724 0.00058 -0.00376 -0.00260 S1 4 0.313657 0.155307 0.425451 11.00000 0.02606 0.04966 = 0.03933 0.00155 -0.00424 -0.00275 S2 4 0.380899 0.233347 0.293965 11.00000 0.03014 0.05262 = 0.03542 0.00729 -0.01137 -0.00379 O1 5 0.290837 0.095043 0.349923 11.00000 0.05374 0.06251 = 0.06196 -0.00077 -0.01260 -0.01936 O2 5 0.238268 0.188670 0.479058 11.00000 0.02968 0.08302 = 0.07527 0.00733 0.00316 0.00763 O3 5 0.384421 0.201628 0.169136 11.00000 0.05329 0.08543 = 0.03470 0.00069 -0.01213 -0.01363 O4 5 0.331881 0.297560 0.295733 11.00000 0.05233 0.06121 = 0.06961 0.01370 -0.01632 0.01014 O7 5 0.753068 -0.035416 0.605875 11.00000 0.08677 0.16918 = 0.12344 0.04324 0.03956 0.06014 O8 5 0.496174 0.547420 0.330019 11.00000 0.08240 0.06382 = 0.10896 -0.01255 -0.01641 0.00139 C1 1 0.531394 0.079007 0.687205 11.00000 0.03528 0.04287 = 0.03929 0.00986 -0.00027 0.00864 C2 1 0.461085 0.037310 0.633094 11.00000 0.06427 0.03536 = 0.03562 0.00620 0.00370 -0.00362 C3 1 0.379764 0.061786 0.673183 11.00000 0.04341 0.08173 = 0.05432 0.03649 -0.00221 -0.00462 C4 1 0.398500 0.119038 0.754342 11.00000 0.06754 0.08946 = 0.03955 0.02467 0.02172 0.04188 C5 1 0.491704 0.129541 0.763775 11.00000 0.08868 0.04127 = 0.02685 0.00473 -0.01416 0.00727 C6 1 0.628728 0.069420 0.674932 11.00000 0.03714 0.09788 = 0.08448 0.04888 0.01309 0.02105 AFIX 23 H6A 2 0.658998 0.112617 0.692607 11.00000 -1.20000 H6B 2 0.638434 0.056795 0.588132 11.00000 -1.20000 AFIX 0 C7 1 0.474036 -0.025216 0.553443 11.00000 0.17516 0.04207 = 0.06487 -0.00861 0.00968 -0.01085 AFIX 137 H7A 2 0.429968 -0.025783 0.483349 11.00000 -1.20000 H7B 2 0.467865 -0.065574 0.604067 11.00000 -1.20000 H7C 2 0.532550 -0.024248 0.522015 11.00000 -1.20000 AFIX 0 C8 1 0.291714 0.028304 0.640718 11.00000 0.06318 0.17091 = 0.14014 0.10548 -0.02701 -0.05154 AFIX 137 H8A 2 0.274863 0.001602 0.711593 11.00000 -1.20000 H8B 2 0.296351 -0.001017 0.568501 11.00000 -1.20000 H8C 2 0.247360 0.062817 0.621201 11.00000 -1.20000 AFIX 0 C9 1 0.330184 0.156391 0.824954 11.00000 0.18293 0.17544 = 0.08844 0.06093 0.08905 0.13354 AFIX 137 H9A 2 0.348083 0.203312 0.836669 11.00000 -1.20000 H9B 2 0.325130 0.135218 0.906170 11.00000 -1.20000 H9C 2 0.273542 0.154591 0.777291 11.00000 -1.20000 AFIX 0 C10 1 0.540212 0.179425 0.847854 11.00000 0.21221 0.05627 = 0.05837 -0.00243 -0.06017 -0.01372 AFIX 137 H10A 2 0.548395 0.160726 0.931854 11.00000 -1.20000 H10B 2 0.506391 0.221096 0.850227 11.00000 -1.20000 H10C 2 0.597376 0.188875 0.816126 11.00000 -1.20000 AFIX 0 C11 1 0.669740 0.014810 0.763672 11.00000 0.04496 0.10096 = 0.08291 0.04730 0.01037 0.02589 AFIX 23 H11A 2 0.674071 0.031955 0.850026 11.00000 -1.20000 H11B 2 0.631947 -0.025543 0.760792 11.00000 -1.20000 AFIX 0 C12 1 0.762053 -0.004076 0.724100 11.00000 0.04961 0.14880 = 0.11989 0.06499 0.01668 0.04512 AFIX 23 H12A 2 0.798532 0.036774 0.719864 11.00000 -1.20000 H12B 2 0.790923 -0.035076 0.785755 11.00000 -1.20000 AFIX 0 C13 1 0.831434 -0.052524 0.552916 11.00000 0.09308 0.38865 = 0.12137 0.09132 0.04347 0.10937 AFIX 137 H13A 2 0.867429 -0.080108 0.611569 11.00000 -1.20000 H13B 2 0.863331 -0.011522 0.534163 11.00000 -1.20000 H13C 2 0.818163 -0.077867 0.476104 11.00000 -1.20000 AFIX 0 C14 1 0.578010 0.334379 0.399669 11.00000 0.02853 0.04238 = 0.05827 -0.00648 0.00015 -0.00646 C15 1 0.580380 0.300320 0.278833 11.00000 0.03482 0.05319 = 0.04030 0.00721 -0.00397 -0.00878 C16 1 0.634443 0.240076 0.295818 11.00000 0.03838 0.04667 = 0.03878 0.00317 0.00602 -0.00802 C17 1 0.666698 0.238148 0.426207 11.00000 0.02553 0.05172 = 0.04526 0.00316 -0.00034 -0.00481 C18 1 0.632599 0.295745 0.490403 11.00000 0.02429 0.05495 = 0.04100 -0.00444 -0.00276 -0.00719 C19 1 0.537010 0.402118 0.419738 11.00000 0.02951 0.04643 = 0.10512 -0.01113 0.00403 -0.00179 AFIX 23 H19A 2 0.521369 0.405813 0.507080 11.00000 -1.20000 H19B 2 0.482626 0.406285 0.365414 11.00000 -1.20000 AFIX 0 C20 1 0.540873 0.324538 0.152811 11.00000 0.06144 0.07346 = 0.05405 0.02653 -0.00499 -0.01705 AFIX 137 H20A 2 0.505006 0.288736 0.113441 11.00000 -1.20000 H20B 2 0.587915 0.336293 0.099523 11.00000 -1.20000 H20C 2 0.504376 0.364106 0.164702 11.00000 -1.20000 AFIX 0 C21 1 0.660080 0.192786 0.192254 11.00000 0.07434 0.06918 = 0.05907 -0.00923 0.02971 -0.01157 AFIX 137 H21A 2 0.707737 0.212902 0.148723 11.00000 -1.20000 H21B 2 0.609493 0.185485 0.133389 11.00000 -1.20000 H21C 2 0.679406 0.149728 0.228418 11.00000 -1.20000 AFIX 0 C22 1 0.734404 0.187917 0.480641 11.00000 0.03132 0.06785 = 0.07805 0.02585 0.00546 0.00055 AFIX 137 H22A 2 0.715351 0.142175 0.459156 11.00000 -1.20000 H22B 2 0.740277 0.192749 0.571224 11.00000 -1.20000 H22C 2 0.790934 0.196662 0.446395 11.00000 -1.20000 AFIX 0 C23 1 0.656378 0.315259 0.624399 11.00000 0.03335 0.10593 = 0.05266 -0.02972 -0.00667 -0.00926 AFIX 137 H23A 2 0.712170 0.339438 0.629537 11.00000 -1.20000 H23B 2 0.661717 0.274713 0.675789 11.00000 -1.20000 H23C 2 0.610602 0.344227 0.654400 11.00000 -1.20000 AFIX 0 C24 1 0.601308 0.460674 0.390187 11.00000 0.04125 0.05549 = 0.15009 -0.02083 0.01464 -0.00692 AFIX 23 H24A 2 0.657555 0.453477 0.438944 11.00000 -1.20000 H24B 2 0.612957 0.458516 0.301073 11.00000 -1.20000 AFIX 0 C25 1 0.567399 0.531084 0.418796 11.00000 0.06239 0.04940 = 0.12466 -0.01600 -0.00425 -0.00977 AFIX 23 H25A 2 0.547082 0.532278 0.504012 11.00000 -1.20000 H25B 2 0.614990 0.564373 0.413672 11.00000 -1.20000 AFIX 0 C26 1 0.465604 0.611946 0.353325 11.00000 0.11808 0.06450 = 0.09395 -0.00003 -0.01946 0.00306 AFIX 137 H26A 2 0.515154 0.643013 0.362963 11.00000 -1.20000 H26B 2 0.434403 0.611607 0.429729 11.00000 -1.20000 H26C 2 0.425808 0.626493 0.283635 11.00000 -1.20000 AFIX 0 C27 1 0.503131 0.127604 0.396907 11.00000 0.03383 0.04147 = 0.02683 -0.00296 0.00335 0.00142 AFIX 23 H27A 2 0.558902 0.102559 0.407851 11.00000 -1.20000 H27B 2 0.465648 0.111310 0.324843 11.00000 -1.20000 AFIX 0 C28 1 0.437776 0.248586 0.562946 11.00000 0.03611 0.03693 = 0.03778 -0.00422 0.00130 -0.00002 AFIX 23 H28A 2 0.380136 0.269612 0.542092 11.00000 -1.20000 H28B 2 0.468783 0.269358 0.636736 11.00000 -1.20000 AFIX 0 HKLF 4 REM sample1 REM R1 = 0.0280 for 7446 Fo > 4sig(Fo) and 0.0320 for all 7972 data REM 353 parameters refined using 2 restraints END WGHT 0.0390 1.3574 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.577, deepest hole -0.679, 1-sigma level 0.073 Q1 1 0.4857 0.2556 0.4580 11.00000 0.05 0.58 Q2 1 0.4978 0.2680 0.3766 11.00000 0.05 0.53 Q3 1 0.5308 0.2004 0.4519 11.00000 0.05 0.51 Q4 1 0.4586 0.1746 0.6019 11.00000 0.05 0.51 Q5 1 0.4989 0.1996 0.3801 11.00000 0.05 0.50 ; _shelx_res_checksum 39497 _shelx_hkl_file ; 0 0 2 976.23 35.47 0 0 -2 1053.27 37.30 0 0 -2 993.60 37.35 0 0 3 0.34 0.40 0 0 3 -0.05 0.49 0 0 -3 0.79 0.61 0 0 4 700.89 26.00 0 0 4 718.39 26.06 0 0 -4 700.16 25.90 0 0 5 -0.29 0.73 0 0 5 0.59 0.58 0 0 -5 -0.78 0.92 0 0 6 1191.54 43.84 0 0 6 1204.14 43.92 0 0 -6 1131.95 41.80 0 0 7 -0.12 1.07 0 0 7 -1.46 1.14 0 0 -7 -0.94 1.39 0 0 8 1599.40 57.33 0 0 8 1526.14 57.40 0 0 -8 1621.87 59.81 0 0 9 -0.79 1.17 0 0 9 -2.05 1.46 0 0 -9 -0.40 1.54 0 0 10 -0.67 1.48 0 0 10 0.07 1.20 0 0 -10 1.49 1.62 0 0 11 -0.18 1.01 0 0 11 -1.95 1.58 0 0 11 -1.26 1.63 0 0 -11 -0.13 1.72 0 0 12 145.97 6.42 0 0 12 170.95 7.10 0 0 13 1.78 1.91 0 0 13 -1.21 1.24 0 0 13 -0.88 1.26 0 2 -2 2178.51 79.06 0 -2 -2 2187.60 79.12 0 -2 3 110.37 4.34 0 2 3 108.63 4.40 0 2 -3 134.01 5.18 0 2 -3 130.88 5.19 0 -2 4 140.02 5.68 0 2 4 149.87 5.78 0 2 -4 140.34 5.76 0 2 -4 147.82 5.71 0 2 5 590.30 21.64 0 2 5 574.44 21.66 0 -2 5 566.28 21.39 0 -2 5 607.23 21.62 0 2 -5 608.55 21.67 0 2 -5 578.85 21.76 0 -2 -5 554.61 21.83 0 -2 6 452.46 17.04 0 2 6 450.51 17.28 0 -2 6 480.63 17.28 0 2 6 453.09 17.32 0 -2 -6 407.35 16.29 0 2 -6 426.28 16.23 0 2 -6 436.98 16.08 0 -2 7 444.61 16.17 0 2 7 411.02 16.44 0 2 7 427.52 16.42 0 -2 7 434.58 16.38 0 -2 -7 444.95 17.32 0 2 -7 450.16 17.25 0 2 8 674.15 24.25 0 -2 8 660.96 23.94 0 2 8 607.73 23.67 0 2 8 662.83 24.22 0 -2 8 651.30 24.19 0 2 -8 671.64 25.45 0 -2 -8 670.90 25.57 0 2 9 259.75 9.82 0 -2 9 248.06 9.46 0 2 9 262.39 9.84 0 -2 9 267.93 9.84 0 2 -9 254.70 10.72 0 -2 -9 264.73 10.91 0 -2 10 125.57 5.40 0 2 10 122.39 5.41 0 -2 10 118.93 5.06 0 2 10 124.30 5.43 0 -2 -10 128.67 6.37 0 2 -10 132.28 6.26 0 2 11 50.99 3.25 0 2 11 55.48 3.32 0 2 11 44.85 2.38 0 -2 11 60.22 3.00 0 2 11 48.79 2.38 0 2 -11 63.23 4.00 0 2 12 43.87 2.28 0 2 12 46.76 2.24 0 2 13 59.87 3.62 0 -2 13 61.21 3.20 0 2 14 60.54 3.97 0 -4 0 288.36 11.22 0 4 0 320.54 11.26 0 -4 1 737.70 26.83 0 4 -1 741.41 27.12 0 -4 2 681.10 24.40 0 4 2 647.44 24.42 0 -4 3 2036.72 72.34 0 4 3 1933.01 72.46 0 4 -3 2052.60 74.56 0 4 4 596.05 22.23 0 4 -4 620.98 22.62 0 4 -4 600.92 22.56 0 4 5 588.69 22.05 0 4 -5 576.64 21.30 0 4 -5 565.94 21.28 0 4 6 402.11 15.57 0 -4 6 406.47 15.00 0 4 -6 409.74 15.44 0 4 -6 398.56 15.35 0 4 7 464.10 17.42 0 4 7 429.68 17.24 0 -4 7 459.75 16.79 0 4 -7 452.48 16.79 0 4 -7 455.19 16.67 0 -4 8 238.24 5.66 0 4 8 229.20 6.44 0 4 8 238.37 6.66 0 4 -8 232.31 9.66 0 -4 -8 241.11 9.95 0 4 -8 234.33 9.52 0 4 9 52.64 2.90 0 4 9 61.62 3.10 0 -4 9 54.01 2.30 0 4 -9 67.12 3.78 0 4 10 437.12 17.14 0 4 10 442.14 17.24 0 -4 10 439.48 16.54 0 4 -10 466.72 18.31 0 4 11 8.43 1.90 0 4 11 8.19 2.20 0 4 -11 14.29 2.28 0 4 12 26.16 2.58 0 4 -12 24.54 2.75 0 4 13 36.87 3.13 0 4 14 -2.13 2.27 0 6 0 56.86 2.61 0 -6 0 63.41 2.63 0 6 1 643.37 24.56 0 -6 1 681.55 24.39 0 6 -1 639.52 23.62 0 -6 2 1293.04 45.50 0 6 2 1198.79 45.43 0 -6 2 1247.07 45.19 0 6 -2 1304.76 47.65 0 -6 3 880.38 31.38 0 6 3 822.60 31.41 0 -6 -3 712.47 25.88 0 6 4 419.92 15.52 0 -6 4 423.35 15.34 0 6 -4 433.62 16.33 0 6 5 739.19 29.43 0 -6 5 844.61 29.32 0 6 5 777.61 29.51 0 6 -5 787.06 29.93 0 6 -5 842.45 30.09 0 6 6 25.85 2.41 0 -6 6 21.70 1.08 0 6 6 28.66 2.15 0 6 -6 24.61 1.74 0 6 -6 26.58 1.81 0 -6 7 19.84 1.05 0 6 7 21.05 2.03 0 6 -7 24.19 1.89 0 6 -7 21.59 1.80 0 6 8 112.57 5.20 0 -6 8 101.78 4.11 0 6 -8 109.76 4.98 0 6 -8 105.13 4.99 0 6 9 283.41 11.25 0 6 9 288.93 11.47 0 -6 9 270.63 10.36 0 6 -9 293.40 12.00 0 6 -9 299.40 11.90 0 6 10 247.23 10.53 0 6 10 245.68 10.28 0 6 -10 264.05 10.85 0 6 -10 256.43 10.68 0 6 11 103.63 5.36 0 6 11 107.65 5.64 0 6 -11 104.99 5.42 0 -6 12 31.20 2.67 0 6 12 23.90 2.67 0 6 -12 27.61 2.94 0 6 13 1.75 2.04 0 -6 13 2.17 1.89 0 6 14 -1.72 2.38 0 -8 0 470.84 17.58 0 8 1 663.83 25.33 0 -8 1 697.86 25.16 0 -8 -1 687.80 25.22 0 8 -1 671.84 25.25 0 -8 2 368.76 13.70 0 -8 2 363.26 13.35 0 8 2 352.52 13.72 0 8 2 348.26 13.57 0 8 -2 384.93 14.62 0 8 3 931.89 35.57 0 -8 3 960.09 35.12 0 -8 3 1010.12 35.62 0 -8 4 168.53 6.69 0 -8 4 160.90 6.05 0 8 4 150.65 6.83 0 -8 -4 133.38 5.00 0 -8 5 75.86 3.64 0 8 5 75.55 4.09 0 8 5 71.04 3.84 0 8 -5 76.11 3.68 0 -8 6 1053.90 37.96 0 8 6 1004.14 38.14 0 8 6 1006.47 38.22 0 8 -6 986.39 36.76 0 8 -6 1012.53 37.01 0 8 7 2.54 1.84 0 -8 7 -0.38 1.37 0 8 7 4.01 2.75 0 8 -7 1.04 1.02 0 8 -7 0.38 1.27 0 8 8 242.58 10.48 0 -8 8 228.27 9.70 0 8 8 244.02 10.13 0 8 -8 269.21 10.56 0 8 -8 250.35 10.42 0 8 9 244.27 10.92 0 -8 9 265.01 10.58 0 8 -9 262.30 10.90 0 8 -9 271.51 10.90 0 8 10 5.67 2.03 0 8 10 2.25 2.63 0 -8 10 2.92 1.66 0 8 -10 2.33 1.62 0 8 -10 1.27 1.62 0 -8 11 128.09 5.97 0 8 11 118.47 6.10 0 8 11 124.80 6.46 0 8 -11 114.52 5.86 0 8 -11 126.12 5.86 0 8 12 48.05 3.64 0 -8 12 54.86 3.56 0 8 -12 53.74 3.70 0 8 13 4.30 2.20 0 -8 13 3.70 2.04 0 8 14 30.12 3.24 0 -10 0 1103.38 40.57 0 -10 1 847.95 31.26 0 -10 -1 877.51 32.87 0 10 -1 899.27 32.95 0 10 2 506.35 19.68 0 -10 2 520.31 19.68 0 10 2 513.75 19.47 0 -10 2 529.72 19.29 0 -10 -2 518.18 19.64 0 10 -2 517.58 19.58 0 10 3 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229.24 9.55 0 -14 2 239.98 9.35 0 -14 -2 242.31 9.69 0 14 -2 225.44 9.66 0 14 3 153.72 7.04 0 -14 3 159.28 6.42 0 14 -3 150.89 6.73 0 14 4 127.28 6.46 0 -14 4 136.73 5.42 0 -14 4 128.42 6.17 0 -14 5 130.59 5.97 0 14 5 120.01 6.34 0 14 5 108.84 6.42 0 -14 -5 107.38 4.44 0 14 6 172.23 8.47 0 -14 6 174.89 7.87 0 14 -6 162.21 6.55 0 -14 7 300.55 12.07 0 14 7 272.11 12.58 0 14 -7 265.02 10.31 0 14 -7 261.14 11.04 0 -14 8 121.15 6.07 0 14 8 108.72 7.11 0 14 -8 108.96 4.98 0 14 -8 116.33 5.72 0 -14 9 99.01 5.34 0 14 -9 90.13 4.27 0 14 -9 83.61 4.83 0 -14 10 57.53 4.05 0 14 -10 48.53 3.10 0 14 -10 48.39 3.51 0 -14 11 37.68 3.49 0 14 -11 28.62 2.99 0 14 -11 32.84 2.67 0 14 12 11.83 2.98 0 -14 12 13.97 2.73 0 14 -12 12.32 2.48 0 14 13 10.86 3.28 0 16 0 57.25 3.58 0 -16 0 62.26 3.44 0 16 0 65.78 3.65 0 16 1 262.47 10.73 0 -16 1 274.32 10.81 0 -16 -1 274.40 11.08 0 16 -1 267.46 11.20 0 16 2 69.33 4.17 0 -16 2 70.74 3.61 0 16 -2 71.45 4.04 0 16 3 361.49 14.65 0 -16 3 369.64 13.99 0 16 3 355.80 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20.66 7 -7 1 573.13 20.90 7 -7 1 567.84 20.97 -7 -7 -1 543.61 20.55 -7 7 -1 540.15 20.54 7 7 2 474.96 18.02 -7 -7 -2 510.11 19.80 -7 7 -2 533.91 19.94 7 7 3 411.90 15.73 -7 -7 -3 425.58 16.41 7 -7 4 14.91 1.67 7 7 4 12.56 1.28 -7 -7 -4 9.91 2.24 7 7 5 95.19 4.35 7 -7 5 103.65 4.90 -7 -7 -5 86.33 4.42 -7 -7 -5 90.68 4.39 -7 -7 -5 80.38 4.38 7 -7 6 330.01 12.97 7 7 6 312.98 12.32 -7 -7 -6 311.48 11.51 -7 -7 -6 298.10 11.13 -7 -7 -6 322.83 11.68 -7 7 -6 335.85 11.76 7 7 7 191.53 9.18 7 7 7 197.81 8.04 7 -7 7 213.12 8.84 -7 -7 -7 204.81 8.81 -7 7 -7 208.60 8.88 -7 -7 -7 187.25 8.20 -7 -7 -7 194.45 8.59 7 7 8 668.43 25.28 7 -7 8 639.09 24.85 7 7 8 638.14 24.03 -7 -7 -8 672.40 25.72 -7 7 -8 671.06 25.75 -7 -7 -8 645.90 25.39 7 7 9 111.39 4.84 7 -7 9 120.18 5.88 7 7 9 107.06 6.60 -7 7 -9 122.09 6.15 -7 -7 -9 113.83 6.07 -7 -7 -9 108.33 5.78 7 7 10 2.48 3.70 7 -7 10 7.04 2.01 7 7 10 6.62 1.08 -7 -7 -10 8.28 2.06 -7 -7 -10 8.48 2.40 -7 7 -10 6.71 2.35 7 7 11 32.76 1.81 7 7 11 34.10 4.71 7 -7 11 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11.06 1.97 -10 4 2 11.08 1.25 -10 4 2 13.53 1.87 10 4 -1 542.50 20.35 10 -4 -1 534.45 20.66 -10 4 1 563.80 20.56 -10 4 1 514.41 20.11 10 4 0 306.30 12.01 10 4 0 287.20 12.03 10 -4 0 312.42 12.18 -10 -4 0 327.12 12.92 -10 4 0 300.35 12.71 -10 4 0 324.40 12.46 10 4 1 115.66 5.45 10 4 1 122.43 5.71 -10 4 -1 114.14 5.20 -10 -4 -1 114.57 5.70 10 4 2 698.19 25.76 10 4 2 658.90 25.61 -10 4 -2 647.84 23.58 -10 -4 -2 638.81 23.69 10 4 3 96.74 5.44 10 -4 3 104.40 5.53 10 -4 3 101.35 4.94 10 4 3 96.06 4.77 -10 4 -3 90.23 4.70 -10 4 -3 98.47 5.27 10 4 4 90.73 5.32 10 4 4 89.47 4.40 10 -4 4 82.27 4.50 10 -4 4 86.00 5.23 -10 4 -4 85.80 4.55 -10 -4 -4 85.25 5.22 10 4 5 315.11 12.75 10 4 5 327.74 13.37 10 -4 5 317.51 13.33 -10 -4 -5 319.19 13.14 10 4 6 93.13 6.19 10 4 6 108.82 5.05 -10 -4 -6 112.45 6.17 10 4 7 77.95 4.16 -10 -4 -7 72.85 4.19 10 4 8 319.55 12.85 10 -4 8 322.18 13.94 -10 -4 -8 307.28 12.15 -10 4 -8 284.84 11.35 10 4 9 4.36 4.24 10 4 9 3.66 1.50 10 -4 9 0.60 3.99 -10 4 -9 4.34 1.10 -10 -4 -9 3.18 1.65 -10 -4 -9 5.80 2.22 10 4 10 65.16 3.70 10 4 10 53.69 5.79 10 -4 10 63.35 4.09 -10 -4 -10 58.34 4.44 -10 -4 -10 60.19 3.83 10 -4 11 37.69 3.33 10 4 11 42.90 5.73 10 4 11 39.69 2.83 -10 4 -11 36.86 3.75 -10 -4 -11 38.33 3.20 10 -4 12 -0.27 2.33 -10 -6 13 27.59 3.33 -10 -6 12 58.32 4.29 -10 6 12 61.85 6.30 -10 -6 11 68.97 4.22 -10 6 11 63.21 5.84 -10 6 10 46.33 4.65 -10 -6 10 43.75 3.48 -10 6 10 34.52 2.44 -10 -6 10 41.85 2.90 -10 6 9 18.36 1.91 -10 -6 9 23.32 2.15 -10 -6 9 20.02 2.86 -10 6 9 21.18 3.74 -10 -6 8 -0.69 2.37 -10 6 8 0.32 0.26 -10 6 8 2.15 1.25 -10 -6 8 0.61 1.31 10 -6 -7 67.15 3.46 -10 -6 7 65.17 3.14 -10 6 7 74.01 3.39 -10 -6 7 67.14 4.07 10 -6 -6 111.78 5.14 -10 -6 6 101.62 5.27 -10 6 6 111.63 4.77 10 6 -5 123.34 5.33 10 6 -5 145.02 5.41 -10 6 5 214.55 8.73 -10 6 5 248.10 9.47 -10 -6 5 235.98 9.81 10 6 -4 302.12 11.58 10 -6 -4 313.41 12.19 -10 -6 4 317.20 12.91 -10 6 4 311.55 12.05 -10 6 4 318.69 12.54 10 -6 -3 342.69 13.66 10 -6 -3 351.48 13.43 10 6 -3 343.73 13.18 -10 6 3 321.97 12.88 -10 6 3 356.04 13.35 10 -6 -2 4.63 1.31 10 -6 -2 4.37 2.21 -10 6 2 3.94 1.10 -10 6 2 3.97 1.61 10 -6 -1 70.38 4.04 10 -6 -1 67.30 3.74 -10 6 1 71.80 3.58 -10 6 1 72.59 3.96 -10 -6 1 66.25 4.36 10 6 0 294.56 11.73 10 -6 0 286.52 11.81 10 -6 0 302.92 11.88 10 6 0 285.20 11.74 -10 -6 0 286.89 11.70 -10 6 0 283.82 11.62 -10 6 0 279.22 11.31 10 -6 1 228.47 9.98 10 6 1 247.46 9.93 10 6 1 247.73 10.10 -10 6 -1 244.11 10.13 -10 -6 -1 253.85 10.55 10 6 2 141.63 6.67 10 6 2 138.04 6.24 -10 -6 -2 146.46 7.01 -10 6 -2 147.89 6.63 10 6 3 245.69 10.44 10 6 3 239.97 9.96 -10 -6 -3 233.05 9.86 -10 6 -3 221.20 9.57 10 6 4 121.92 5.53 10 6 4 114.15 6.42 -10 6 -4 111.09 5.53 10 6 5 17.58 3.70 10 6 5 20.02 1.94 -10 -6 -5 18.57 3.37 10 -6 6 70.38 4.19 10 6 6 63.24 5.31 10 6 6 70.28 3.79 -10 -6 -6 68.61 4.79 10 6 7 182.93 7.79 10 -6 7 177.87 8.27 -10 -6 -7 192.85 8.29 -10 6 -7 176.66 7.20 -10 -6 -7 182.46 8.40 10 6 8 124.96 5.72 10 -6 8 122.14 6.28 -10 6 -8 110.84 4.75 -10 -6 -8 121.40 5.99 -10 6 -8 127.42 6.39 -10 -6 -8 119.95 6.27 10 6 9 55.09 5.68 10 6 9 63.17 3.46 -10 6 -9 61.33 4.39 -10 -6 -9 55.85 4.37 -10 -6 -9 70.09 4.17 10 6 10 45.24 2.89 10 6 10 47.11 5.51 -10 -6 -10 46.89 3.48 -10 -6 -10 44.59 3.91 10 6 11 25.30 5.40 -10 -6 -11 25.51 3.47 -10 -6 -11 16.89 2.69 -10 -8 13 20.69 3.35 -10 8 12 3.78 5.14 -10 8 12 0.70 4.74 -10 -8 12 2.27 2.88 -10 8 11 97.66 7.05 -10 -8 11 94.01 5.74 -10 8 10 38.79 2.03 -10 8 10 44.32 4.93 -10 8 9 8.28 1.43 -10 -8 9 6.92 2.96 -10 8 9 5.99 4.22 -10 -8 9 8.40 1.62 10 -8 -8 181.67 7.50 -10 8 8 172.43 7.44 -10 -8 8 181.15 7.39 -10 -8 8 184.14 8.48 10 -8 -7 39.04 2.46 -10 -8 7 41.02 2.44 -10 8 7 40.90 2.61 -10 -8 7 44.00 3.75 10 -8 -6 57.48 3.18 -10 -8 6 57.95 4.22 -10 8 6 56.48 3.13 -10 -8 6 52.87 2.75 10 -8 -5 324.59 10.63 10 8 -5 233.15 9.71 -10 8 5 320.64 12.68 -10 -8 5 317.29 13.24 10 -8 -4 28.22 2.20 10 8 -4 23.74 1.61 -10 -8 4 20.74 3.26 -10 8 4 26.97 2.28 -10 8 4 27.42 1.94 10 -8 -3 150.54 6.69 10 -8 -3 146.15 6.59 -10 8 3 131.95 5.83 -10 8 3 141.52 6.22 10 -8 -2 273.14 11.12 10 -8 -2 271.54 11.08 -10 8 2 262.86 10.79 -10 -8 2 254.46 11.11 -10 8 2 265.12 10.46 10 -8 -1 184.91 7.80 10 -8 -1 171.95 7.94 -10 -8 1 170.60 7.93 -10 8 1 167.45 7.37 -10 8 1 185.03 7.71 10 -8 0 67.83 4.26 10 -8 0 65.16 3.66 10 8 0 60.86 3.54 -10 8 0 70.50 3.74 -10 -8 0 67.14 4.52 10 8 1 191.30 8.25 10 -8 1 199.05 8.83 -10 8 -1 218.48 8.97 -10 -8 -1 201.21 9.27 10 8 2 5.46 1.37 10 -8 2 7.25 3.18 -10 -8 -2 7.16 3.04 -10 8 -2 5.97 1.49 10 8 3 216.78 9.02 -10 -8 -3 225.52 9.89 -10 8 -3 225.53 9.67 10 8 4 290.98 11.68 10 8 4 295.70 12.53 10 -8 4 287.01 12.14 -10 8 -4 291.74 12.23 -10 -8 -4 295.86 12.17 10 -8 5 2.88 1.83 10 8 5 -1.10 3.68 10 8 5 2.08 1.46 -10 -8 -5 2.40 3.23 10 8 6 285.14 12.60 10 8 6 280.28 11.45 10 -8 6 292.42 12.15 -10 -8 -6 263.93 11.55 -10 -8 -6 281.81 11.68 -10 -8 -6 280.80 11.65 10 -8 7 201.62 8.75 10 8 7 178.73 7.88 -10 -8 -7 206.52 8.71 -10 8 -7 205.29 8.95 -10 -8 -7 181.60 8.52 -10 -8 -7 199.66 8.71 -10 8 -7 180.44 7.21 10 -8 8 -2.13 2.13 10 8 8 1.89 1.40 -10 -8 -8 -1.58 2.35 -10 8 -8 0.92 1.90 -10 -8 -8 -1.70 2.17 10 8 9 69.26 6.20 10 8 9 71.04 3.62 10 -8 9 60.49 4.46 -10 -8 -9 66.76 4.42 -10 8 -9 74.42 4.81 -10 -8 -9 71.99 4.89 10 -8 10 21.96 2.96 10 8 10 26.47 2.05 10 8 10 26.45 5.20 -10 -8 -10 33.10 3.24 -10 -8 -10 29.89 3.49 -10 8 -10 30.98 3.40 10 8 11 20.19 5.29 10 -8 11 13.79 2.65 -10 -8 -11 17.35 3.18 -10 -8 -11 8.95 2.55 -10 -10 12 1.84 3.27 -10 -10 11 19.26 3.81 -10 10 11 18.95 5.71 -10 10 11 23.19 5.39 -10 -10 10 101.42 6.46 -10 10 10 104.12 7.54 -10 10 10 111.32 7.58 -10 10 9 85.05 6.57 -10 -10 9 73.62 5.39 10 -10 -8 144.60 6.13 -10 -10 8 159.52 8.13 10 10 -7 57.39 2.80 10 -10 -7 89.55 3.65 -10 -10 7 85.87 3.77 -10 -10 7 95.97 5.81 10 -10 -6 78.54 3.91 -10 -10 6 94.54 5.45 -10 -10 6 79.12 3.45 10 -10 -5 22.17 1.90 10 10 -5 16.89 1.45 -10 -10 5 15.06 3.41 -10 -10 5 16.24 1.10 10 -10 -4 156.11 6.78 10 10 -4 149.99 6.32 10 -10 -3 197.63 8.51 10 -10 -3 188.16 8.28 10 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105.36 6.34 -10 16 -7 100.45 6.09 -10 -16 -7 92.94 5.86 -10 -16 -7 106.61 6.18 -10 -16 -7 103.24 5.68 10 -16 8 4.42 5.45 10 -16 8 6.88 2.69 -10 16 -8 10.37 2.91 -10 -16 -8 10.29 2.97 -10 -16 -8 7.70 2.67 -10 -16 -9 99.26 5.98 -10 18 7 16.27 6.11 10 18 -6 51.83 3.59 10 -18 -6 56.17 3.46 -10 18 6 56.93 6.75 10 -18 -5 85.31 4.33 10 18 -5 63.69 4.19 -10 18 5 70.40 6.96 -10 -18 5 79.88 6.52 10 -18 -4 77.82 4.40 10 18 -4 68.36 4.32 -10 -18 4 73.66 6.46 -10 18 4 68.34 6.71 10 18 -3 34.67 3.04 -10 18 3 28.53 5.65 -10 -18 3 24.47 5.22 10 18 -2 9.78 2.10 -10 -18 2 7.10 4.67 -10 18 2 6.90 4.97 10 -18 -1 16.83 2.46 -10 18 1 12.24 4.60 -10 -18 1 12.79 4.92 10 -18 0 76.22 6.70 10 -18 0 78.38 4.84 -10 18 0 72.07 5.84 -10 -18 0 78.69 6.24 10 -18 1 59.08 4.21 10 -18 1 61.03 6.21 -10 -18 -1 59.13 4.34 -10 18 -1 63.97 4.31 -10 18 -1 54.00 5.15 -10 -18 -1 60.40 5.82 10 -18 2 98.19 7.21 10 -18 2 94.06 5.52 -10 18 -2 89.58 5.43 -10 18 -2 92.61 5.75 -10 -18 -2 88.56 6.58 -10 -18 -2 99.90 5.68 10 -18 3 37.07 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154.35 6.88 -12 -12 7 146.01 8.15 12 -12 -6 1.99 1.69 12 12 -6 0.05 1.08 -12 -12 6 -2.63 4.08 -12 12 6 1.66 1.40 12 -12 -5 53.29 3.30 12 12 -5 44.39 2.66 -12 12 5 54.44 3.04 -12 -12 5 47.33 2.07 12 12 -4 18.11 1.78 12 -12 -4 19.37 2.27 -12 12 4 24.33 2.18 12 -12 -3 122.55 6.06 -12 12 3 119.88 5.74 -12 -12 3 123.88 7.35 12 -12 -2 10.52 2.22 12 -12 -2 13.66 4.01 -12 -12 2 16.10 4.19 -12 12 2 16.27 2.17 12 -12 -1 338.94 14.04 12 -12 -1 320.34 13.58 -12 -12 1 322.00 13.74 -12 12 1 310.74 12.90 12 -12 0 2.09 4.05 12 -12 0 2.38 1.94 -12 -12 0 5.06 4.13 -12 12 0 4.63 1.87 12 -12 1 223.18 10.54 -12 -12 -1 226.50 10.40 -12 12 -1 216.08 9.70 12 -12 2 14.38 4.41 -12 12 -2 11.87 2.15 -12 -12 -2 8.94 4.37 12 -12 3 4.13 1.87 12 -12 3 7.05 4.42 -12 -12 -3 1.04 1.66 -12 12 -3 0.13 2.00 -12 -12 -3 0.24 4.52 12 -12 4 12.06 4.81 -12 -12 -4 8.50 4.61 -12 12 -4 12.94 2.37 -12 -12 -4 6.02 1.93 12 12 5 276.73 12.99 12 -12 5 288.85 13.10 -12 -12 -5 295.22 12.58 -12 12 -5 282.06 12.57 -12 -12 -5 288.80 12.12 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7.41 2.91 -13 -3 -10 11.16 2.51 13 -3 11 97.42 5.78 -13 -5 12 5.37 2.84 -13 5 11 88.26 6.54 -13 -5 11 79.83 4.77 -13 -5 11 85.03 5.47 -13 -5 10 9.96 2.32 -13 5 10 14.36 2.16 -13 5 10 10.00 4.19 -13 -5 10 18.81 3.25 -13 -5 9 89.57 4.70 -13 5 9 84.62 4.75 -13 -5 9 89.23 5.47 13 -5 -8 14.03 2.03 -13 -5 8 12.73 3.11 -13 -5 8 14.54 1.99 -13 5 8 14.30 2.11 13 -5 -7 -0.58 1.56 -13 5 7 0.33 1.87 -13 -5 7 -1.04 3.08 13 -5 -6 33.86 2.81 -13 -5 6 36.21 3.90 -13 5 6 36.48 3.13 13 -5 -5 366.30 14.71 -13 5 5 326.24 12.84 -13 5 5 359.67 13.99 -13 -5 5 369.52 14.38 13 -5 -4 51.03 3.25 13 -5 -4 55.46 3.48 13 5 -4 57.35 3.51 -13 5 4 53.43 3.75 -13 -5 4 51.70 4.52 -13 5 4 50.06 2.70 13 -5 -3 393.27 15.17 13 5 -3 390.26 15.68 13 5 -3 391.09 14.97 13 -5 -3 384.70 15.61 -13 -5 3 380.47 15.80 -13 5 3 373.96 14.76 -13 5 3 405.58 15.57 13 -5 -2 33.63 2.74 13 5 -2 30.46 3.21 13 -5 -2 33.88 3.37 -13 5 2 33.39 3.21 -13 5 2 32.41 2.24 13 -5 -1 110.39 5.98 13 5 -1 117.73 5.82 13 -5 -1 113.62 5.66 -13 5 1 117.74 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3.66 13 -5 11 173.90 8.66 -13 -7 12 52.12 4.64 -13 -7 11 11.54 3.54 -13 7 11 10.65 5.03 -13 -7 10 82.32 5.76 -13 -7 10 86.71 4.55 -13 7 10 92.37 6.91 -13 7 10 79.80 4.39 -13 -7 9 6.09 3.34 -13 7 9 3.20 1.72 -13 -7 9 3.01 1.64 13 -7 -8 47.57 3.18 -13 -7 8 46.29 2.95 -13 -7 8 47.98 4.43 -13 7 8 43.97 3.15 13 -7 -7 51.96 3.30 -13 -7 7 55.09 3.13 -13 7 7 50.80 3.41 -13 -7 7 56.80 4.74 13 -7 -6 99.38 5.10 -13 7 6 90.09 4.03 -13 7 6 100.42 5.06 13 7 -5 61.79 2.91 13 7 -5 55.23 2.65 -13 -7 5 105.21 6.15 -13 7 5 94.05 5.13 -13 7 5 94.74 4.28 13 -7 -4 423.33 15.67 13 -7 -4 416.93 15.16 -13 7 4 410.87 15.94 -13 -7 4 425.68 17.09 -13 7 4 422.02 16.69 13 -7 -3 58.08 4.11 13 -7 -3 57.31 3.71 13 7 -3 54.54 3.70 -13 7 3 66.05 4.10 -13 7 3 60.71 3.33 13 7 -2 147.45 6.75 13 -7 -2 141.97 6.83 13 -7 -2 145.03 6.99 -13 7 2 154.60 6.73 -13 7 2 155.69 7.42 13 7 -1 84.02 4.78 13 -7 -1 92.27 5.47 13 7 -1 91.16 5.19 13 -7 -1 93.95 4.90 -13 7 1 96.93 5.24 -13 7 1 84.83 4.43 -13 -7 1 89.00 5.88 13 7 0 6.42 3.43 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11.09 0.96 13 -11 -7 28.58 2.53 -13 11 7 26.27 2.14 -13 -11 7 26.38 4.90 -13 -11 7 25.30 1.72 13 11 -6 164.21 6.69 13 11 -6 141.49 6.40 -13 11 6 230.91 9.35 -13 -11 6 224.47 8.87 -13 -11 6 248.35 11.10 13 -11 -5 11.95 2.07 13 11 -5 10.87 2.64 13 11 -5 9.39 1.41 -13 11 5 10.89 1.72 -13 -11 5 14.97 4.57 13 -11 -4 7.12 1.86 13 11 -4 6.30 1.31 -13 11 4 11.29 1.70 13 -11 -3 31.51 2.91 13 -11 -3 40.00 4.23 -13 -11 3 32.17 4.87 -13 11 3 33.92 2.61 13 -11 -2 134.97 6.77 13 -11 -2 142.96 7.67 -13 -11 2 135.87 7.73 -13 11 2 138.69 6.47 13 -11 -1 32.18 3.08 13 -11 -1 28.81 4.36 -13 -11 1 34.05 5.00 -13 11 1 25.65 2.58 13 -11 0 304.35 13.38 13 -11 0 311.79 13.06 -13 -11 0 295.47 13.14 -13 11 0 299.20 12.43 13 -11 1 68.28 5.74 13 -11 1 70.87 4.48 -13 -11 -1 65.48 5.70 -13 11 -1 66.35 4.14 13 -11 2 159.38 8.37 13 -11 2 151.65 7.46 13 11 2 144.11 8.13 -13 11 -2 140.68 7.02 -13 -11 -2 149.14 8.13 13 11 3 0.11 1.68 13 -11 3 0.13 4.50 13 11 3 -2.64 4.61 -13 -11 -3 1.22 4.50 -13 11 -3 1.51 1.87 13 11 4 58.05 5.89 13 -11 4 49.69 5.80 13 11 4 51.04 3.44 -13 11 -4 45.40 3.68 -13 -11 -4 48.13 5.37 13 -11 5 46.81 5.95 13 11 5 43.83 3.15 13 11 5 45.41 5.83 -13 11 -5 46.16 3.81 -13 -11 -5 49.69 5.31 -13 -11 -5 45.13 3.56 13 11 6 143.56 8.71 13 11 6 147.42 6.77 13 -11 6 136.46 8.81 -13 -11 -6 142.66 7.34 -13 11 -6 147.54 7.53 -13 -11 -6 136.74 7.82 -13 -11 -6 143.22 7.09 13 -11 7 23.76 5.74 13 11 7 23.08 5.72 13 11 7 18.56 2.38 -13 -11 -7 20.07 2.99 -13 -11 -7 23.03 3.05 -13 -11 -7 15.24 4.54 13 11 8 110.98 5.53 13 11 8 108.03 8.12 -13 -11 -8 102.49 6.58 -13 -11 -8 113.73 6.37 -13 -11 -8 106.14 6.21 -13 -11 -9 4.42 2.74 -13 -11 -9 2.73 2.56 -13 -13 9 15.59 5.14 13 -13 -8 67.15 3.82 -13 -13 8 63.31 6.33 13 -13 -7 19.30 2.41 -13 13 7 12.68 1.91 -13 -13 7 18.39 4.96 13 -13 -6 125.62 5.48 13 13 -6 89.89 4.50 -13 -13 6 126.15 7.72 -13 13 6 114.38 5.54 13 13 -5 25.01 2.15 13 -13 -5 35.03 2.94 -13 13 5 31.94 2.63 13 13 -4 8.12 1.65 13 -13 -4 6.87 2.01 -13 -13 4 7.70 0.65 -13 13 4 12.23 1.86 13 -13 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277.70 11.63 -14 8 -3 271.25 11.73 14 -8 4 18.46 2.68 14 8 4 22.94 2.49 14 8 4 22.22 5.39 -14 -8 -4 21.94 4.82 -14 8 -4 24.51 2.85 14 -8 5 69.86 4.57 14 8 5 80.58 6.45 14 8 5 66.45 4.15 -14 -8 -5 75.22 6.09 -14 8 -5 72.42 4.75 14 8 6 47.56 3.37 14 8 6 47.85 6.01 14 -8 6 46.94 3.84 -14 -8 -6 44.53 5.26 -14 8 -6 44.57 3.82 14 -8 7 -0.98 2.40 14 8 7 -0.11 1.86 14 8 7 -6.02 5.23 -14 -8 -7 -2.52 2.36 -14 -8 -7 2.86 2.24 -14 -8 -7 -2.73 4.65 -14 8 -7 0.34 2.37 14 8 8 92.54 7.54 14 8 8 88.33 5.04 14 -8 8 95.98 5.73 -14 -8 -8 82.05 6.38 -14 -8 -8 99.10 5.83 14 -8 9 120.61 6.89 -14 -8 -9 118.50 6.66 -14 -8 -10 8.13 2.94 -14 -10 9 12.50 4.53 14 -10 -8 57.72 3.70 -14 -10 8 66.81 5.94 14 -10 -7 103.25 5.35 -14 -10 7 109.34 7.07 -14 -10 7 106.35 4.63 -14 10 7 95.20 4.44 14 10 -6 94.57 4.48 14 -10 -6 180.72 6.22 -14 -10 6 169.69 8.89 -14 10 6 156.48 6.88 -14 10 6 169.83 7.62 -14 -10 6 168.84 6.83 14 10 -5 48.01 2.84 14 10 -5 64.84 3.62 -14 10 5 87.69 4.77 -14 -10 5 77.76 6.21 -14 10 5 69.87 3.87 14 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19.77 2.33 -15 -5 4 19.02 4.35 -15 5 4 22.81 3.31 15 -5 -3 118.76 6.30 15 5 -3 133.10 6.42 15 -5 -3 134.76 6.29 15 5 -3 121.73 5.91 -15 -5 3 114.77 7.27 -15 5 3 123.68 6.54 -15 5 3 118.51 5.38 15 -5 -2 93.27 5.18 15 -5 -2 90.26 5.32 15 5 -2 89.79 5.29 -15 5 2 79.46 4.16 -15 5 2 85.86 5.39 15 -5 -1 269.29 11.57 15 -5 -1 271.81 11.51 15 5 -1 265.08 11.37 -15 -5 1 256.67 11.67 -15 5 1 248.28 10.50 -15 5 1 259.35 11.39 15 -5 0 44.75 3.44 15 5 0 41.86 4.50 15 5 0 43.24 3.37 -15 -5 0 48.10 5.14 -15 5 0 45.28 3.19 -15 5 0 46.72 4.50 15 -5 1 9.38 2.30 15 5 1 11.61 2.17 15 5 1 9.36 4.08 -15 5 -1 10.27 1.99 15 5 2 16.97 2.38 15 5 2 4.94 4.42 -15 5 -2 10.25 2.17 15 -5 3 120.88 6.37 15 5 3 119.75 7.42 15 5 3 116.04 6.08 -15 -5 -3 126.45 7.78 -15 5 -3 122.05 6.36 15 -5 4 31.24 3.13 15 5 4 30.13 2.95 15 5 4 28.27 5.19 -15 -5 -4 25.12 5.00 -15 5 -4 28.20 2.91 15 5 5 110.39 5.95 15 5 5 128.84 7.80 15 -5 5 111.48 6.24 -15 -5 -5 99.33 6.87 15 5 6 18.42 5.63 15 -5 6 25.09 2.96 15 5 6 19.14 2.61 -15 -5 -6 21.65 5.35 15 -5 7 31.92 3.50 15 5 7 38.12 3.22 -15 -5 -7 28.90 5.24 15 -5 8 15.70 2.99 15 5 8 16.64 2.66 -15 -5 -8 14.02 2.73 15 -5 9 49.99 4.30 15 5 9 41.45 3.69 -15 -5 -9 41.87 3.83 -15 -7 10 44.33 5.10 -15 7 9 12.90 2.40 -15 -7 9 20.52 4.48 -15 -7 9 21.42 2.42 15 -7 -8 78.19 4.59 -15 7 8 82.93 4.92 -15 -7 8 87.24 4.55 -15 -7 8 95.20 6.47 15 -7 -7 13.98 2.28 -15 7 7 15.72 2.57 -15 -7 7 14.07 4.36 15 -7 -6 27.23 2.66 -15 -7 6 27.53 4.52 -15 7 6 26.17 2.89 15 7 -5 10.74 0.94 15 7 -5 8.40 1.49 -15 7 5 18.99 2.75 -15 7 5 15.61 1.57 -15 -7 5 15.50 4.38 15 -7 -4 93.28 4.99 15 -7 -4 101.32 5.05 -15 7 4 87.80 4.27 -15 7 4 93.65 5.39 -15 -7 4 94.58 6.52 15 -7 -3 38.10 3.22 15 7 -3 33.61 3.44 15 -7 -3 37.34 3.84 -15 7 3 41.12 3.79 -15 7 3 34.70 2.53 15 -7 -2 244.96 10.23 15 7 -2 217.70 9.82 15 -7 -2 231.79 10.20 -15 7 2 260.29 10.77 -15 7 2 220.31 9.70 15 7 -1 31.46 3.09 15 7 -1 37.54 4.19 15 -7 -1 29.67 2.99 15 -7 -1 34.29 4.26 -15 7 1 32.86 2.69 -15 7 1 37.48 4.13 -15 -7 1 35.26 5.10 15 -7 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15 -11 -1 66.81 4.48 15 11 -1 64.07 5.45 15 -11 -1 67.10 5.66 -15 11 1 58.45 3.94 -15 -11 1 66.65 6.31 15 11 0 249.60 11.63 15 -11 0 272.03 12.02 15 -11 0 254.61 11.49 -15 -11 0 272.02 12.32 -15 11 0 248.48 11.02 15 -11 1 92.07 5.71 15 -11 1 108.37 7.06 15 11 1 98.96 6.88 -15 -11 -1 104.33 7.49 -15 11 -1 103.12 5.69 15 -11 2 181.08 8.68 15 11 2 169.60 9.45 15 -11 2 177.85 9.51 -15 -11 -2 197.96 9.99 -15 11 -2 180.59 8.75 15 -11 3 8.42 5.25 15 11 3 8.62 2.15 15 -11 3 10.29 2.41 15 11 3 15.80 5.38 -15 -11 -3 8.11 5.33 -15 11 -3 8.75 2.38 15 11 4 5.72 5.36 15 11 4 -0.26 2.02 15 -11 4 4.93 5.25 -15 11 -4 2.09 2.14 15 11 5 3.10 5.41 15 -11 5 8.50 2.48 15 11 5 1.80 2.01 15 -11 5 7.40 5.70 -15 11 -5 3.58 2.32 -15 -11 -5 0.42 2.27 15 -11 6 54.10 4.47 15 11 6 50.92 3.84 15 -11 6 50.93 6.66 15 11 6 51.83 6.76 -15 11 -6 44.57 4.22 -15 -11 -6 44.66 5.72 -15 -11 -6 45.47 3.85 -15 -11 -6 51.26 4.14 15 11 7 48.99 3.77 -15 -11 -7 48.75 4.23 -15 -11 -7 44.59 5.74 -15 -11 -7 51.16 4.40 15 -13 -7 7.69 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-18 8 7 52.05 4.42 18 -8 -6 25.86 3.17 -18 8 6 27.68 3.89 18 -8 -5 6.69 2.54 -18 8 5 5.82 3.47 -18 -8 5 9.32 5.47 18 -8 -4 74.23 4.87 -18 8 4 72.48 5.67 -18 -8 4 75.00 7.10 18 -8 -3 66.46 4.65 18 8 -3 60.65 4.83 18 -8 -3 70.48 5.37 -18 8 3 65.55 5.56 -18 8 3 66.59 3.89 18 -8 -2 6.61 4.46 18 8 -2 7.20 4.13 18 -8 -2 3.42 2.44 -18 8 2 10.50 4.30 -18 8 2 5.57 2.02 -18 -8 2 9.00 5.33 18 8 -1 169.75 8.87 18 -8 -1 177.00 9.22 18 8 -1 183.03 8.70 18 -8 -1 178.34 8.79 -18 -8 1 182.88 10.15 -18 8 1 177.17 9.43 -18 8 1 170.15 8.03 18 -8 0 24.82 5.36 18 8 0 30.25 3.31 18 8 0 22.14 5.10 18 -8 0 26.42 3.33 -18 -8 0 28.77 6.01 -18 8 0 23.58 2.84 18 8 1 30.68 5.23 18 -8 1 19.47 3.06 18 8 1 28.09 3.16 -18 8 -1 25.14 3.02 18 -8 2 48.24 4.09 18 8 2 43.63 3.86 -18 -8 -2 38.81 6.31 -18 8 -2 45.65 3.89 18 8 3 22.33 6.11 18 -8 3 21.54 6.11 18 8 3 21.49 3.00 -18 8 -3 22.81 3.12 -18 -8 -3 18.38 6.15 18 8 4 48.00 4.07 18 8 4 49.67 6.77 -18 -8 -4 50.83 6.94 18 8 5 132.45 7.12 -18 -8 -5 134.99 9.02 18 8 6 10.48 2.98 -18 -8 -6 10.70 6.10 18 -10 -7 0.14 2.43 18 -10 -6 19.75 3.08 18 -10 -5 55.44 4.21 18 -10 -4 74.91 4.98 18 -10 -3 76.89 5.16 18 -10 -3 82.62 6.03 -18 10 3 74.47 4.36 18 -10 -2 36.20 5.23 18 10 -2 33.07 4.71 18 -10 -2 36.72 3.60 -18 -10 2 29.53 6.19 -18 10 2 33.73 3.02 18 -10 -1 6.32 2.57 18 10 -1 3.96 4.55 18 -10 -1 9.58 5.14 -18 -10 1 7.40 5.76 -18 10 1 8.41 2.33 18 -10 0 36.39 5.89 18 -10 0 37.51 3.76 18 10 0 35.96 5.57 -18 10 0 37.73 3.43 -18 -10 0 32.92 6.34 18 10 1 45.42 3.89 18 -10 1 46.61 6.15 18 10 1 46.79 5.97 18 -10 1 43.67 4.09 -18 10 -1 46.61 3.91 -18 -10 -1 40.81 6.56 18 10 2 37.35 3.74 18 -10 2 41.94 6.52 18 -10 2 38.97 3.91 18 10 2 42.17 6.27 -18 10 -2 41.03 3.88 18 10 3 77.42 7.37 18 10 3 78.31 5.21 18 -10 3 78.90 7.45 -18 10 -3 73.98 5.09 -18 -10 -3 74.31 7.74 18 10 4 35.63 3.83 18 10 4 44.70 6.64 -18 -10 -4 44.93 7.14 18 10 5 42.29 3.91 -18 -10 -5 48.73 6.92 18 -12 -6 3.86 2.38 18 -12 -5 62.36 4.62 18 -12 -4 7.08 2.75 18 -12 -3 88.63 5.62 18 -12 -2 -0.26 5.02 18 -12 -2 -1.02 2.60 -18 12 2 -0.88 1.91 18 -12 -1 3.78 5.21 18 -12 -1 0.88 2.40 18 12 -1 0.36 4.70 -18 12 1 3.39 2.16 18 12 0 -0.40 5.20 18 -12 0 -0.18 2.42 18 -12 0 3.24 5.51 -18 12 0 2.03 2.29 -18 -12 0 -1.97 5.84 18 12 1 46.19 6.45 18 -12 1 41.27 6.42 -18 12 -1 48.50 4.01 -18 -12 -1 47.81 6.88 18 12 2 6.14 5.87 18 -12 2 -0.17 6.28 -18 12 -2 3.66 2.60 18 12 3 91.15 7.84 -18 -12 -4 -1.88 2.55 18 -14 -5 24.33 3.24 18 -14 -4 28.38 3.58 18 -14 -3 14.28 3.04 -18 14 2 26.13 3.14 18 -14 -1 14.41 5.73 -18 14 1 12.77 2.71 18 -14 0 22.95 6.17 18 14 0 22.10 5.93 -18 14 0 20.35 3.01 18 -14 1 19.97 6.42 18 14 1 12.67 5.99 -18 14 -1 13.33 2.85 18 14 2 16.82 6.43 18 -16 -1 76.59 7.63 -18 16 1 67.33 5.01 -19 1 7 7.25 4.15 19 -1 -6 20.96 3.03 19 1 -6 19.19 3.10 -19 1 6 19.41 4.57 19 -1 -5 162.78 8.26 19 1 -5 170.20 8.41 -19 1 5 179.83 9.70 19 -1 -4 28.47 3.43 19 1 -4 30.04 3.45 -19 -1 4 24.49 5.10 -19 1 4 29.36 5.37 19 -1 -3 168.62 8.36 19 1 -3 167.40 8.34 -19 -1 3 148.49 9.12 -19 1 3 170.35 9.24 19 -1 -2 17.87 3.95 19 -1 -2 16.91 2.95 19 1 -2 23.34 2.99 -19 -1 2 20.31 5.15 -19 1 2 23.24 5.31 19 1 -1 11.08 2.50 19 -1 -1 12.80 2.60 -19 1 1 18.51 5.02 19 1 1 32.06 3.54 -19 1 -1 29.51 5.41 -19 -1 -1 29.05 5.56 19 -1 2 29.19 3.37 19 1 2 25.97 5.74 19 1 2 25.38 3.35 -19 -1 -2 24.47 5.78 -19 1 -2 25.99 5.76 19 1 3 244.68 11.08 19 -1 3 226.01 11.01 19 1 3 249.47 11.94 -19 -1 -3 222.48 11.75 -19 1 -3 237.13 11.89 19 -1 4 21.75 3.62 19 1 4 18.91 6.15 19 1 4 28.65 3.64 -19 -1 -4 30.04 6.32 19 -3 -7 53.88 4.26 -19 3 7 51.19 5.25 19 -3 -6 15.77 2.79 -19 3 6 16.71 4.38 19 -3 -5 28.85 3.29 19 3 -5 25.71 3.46 -19 3 5 28.64 4.94 19 -3 -4 82.66 5.33 19 3 -4 82.94 5.33 -19 3 4 93.40 6.92 19 -3 -3 47.51 4.15 19 3 -3 56.28 4.24 -19 3 3 49.97 5.66 19 -3 -2 39.92 4.58 19 3 -2 35.25 3.52 19 -3 -2 31.73 3.60 -19 3 2 32.39 5.36 19 -3 -1 49.04 5.04 19 -3 -1 48.68 4.05 -19 3 1 56.49 6.11 19 -3 0 12.61 2.57 19 3 0 7.01 2.56 19 3 0 14.75 4.71 -19 -3 0 6.67 5.16 -19 3 0 10.73 5.15 19 3 1 89.88 5.64 19 3 1 95.99 6.95 -19 -3 -1 82.58 7.35 19 3 2 59.31 6.53 19 -3 2 69.23 4.94 19 3 2 60.05 4.63 -19 3 -2 52.59 6.23 -19 -3 -2 55.94 6.74 19 3 3 52.96 4.26 19 -3 3 49.25 4.26 -19 3 -3 43.72 6.30 -19 -3 -3 40.91 6.41 19 3 4 80.46 7.59 19 3 4 89.81 5.60 -19 -3 -4 86.68 7.53 19 -5 -8 7.20 2.68 19 -5 -7 49.85 4.17 -19 5 7 50.39 4.92 19 -5 -6 17.52 3.03 -19 5 6 21.15 4.15 19 -5 -5 16.06 2.83 -19 5 5 19.65 4.30 19 -5 -4 -0.82 2.61 19 5 -4 -1.52 2.53 -19 5 4 -1.87 4.19 -19 -5 4 3.24 5.13 19 -5 -3 52.55 4.31 19 5 -3 56.66 4.24 -19 5 3 60.51 5.84 -19 -5 3 55.58 6.38 19 5 -2 6.46 3.96 19 -5 -2 8.40 2.77 19 -5 -2 10.85 4.31 -19 5 2 7.64 4.64 19 5 -1 108.44 6.76 19 -5 -1 111.45 6.99 19 -5 -1 111.53 6.38 -19 5 1 118.96 7.93 19 -5 0 34.45 3.62 19 -5 0 30.96 5.45 19 5 0 23.51 3.24 19 5 0 31.70 5.20 -19 -5 0 25.44 5.66 -19 5 0 27.54 5.34 19 5 1 52.22 4.24 19 5 1 50.72 6.05 19 -5 1 52.70 4.36 -19 -5 -1 46.01 6.48 19 5 2 15.21 5.87 19 5 2 13.03 2.89 -19 -5 -2 15.12 5.76 19 5 3 3.54 2.53 19 5 3 2.35 6.13 -19 -5 -3 -0.18 5.48 19 5 4 25.17 6.50 19 5 4 23.49 3.47 19 -7 -7 5.20 2.60 -19 7 7 12.73 3.58 19 -7 -6 45.50 4.01 -19 7 6 48.94 4.79 19 -7 -5 16.46 2.86 -19 7 5 17.34 4.02 19 -7 -4 4.26 2.55 -19 7 4 4.94 4.36 19 -7 -3 27.56 3.43 -19 7 3 25.86 5.03 19 -7 -2 117.43 7.10 19 -7 -2 114.52 6.50 -19 7 2 117.95 7.72 19 -7 -1 10.14 2.75 19 -7 -1 11.02 4.85 19 7 -1 10.04 2.64 19 7 -1 10.42 4.77 -19 7 1 7.20 4.90 19 -7 0 86.73 5.60 19 -7 0 91.65 6.92 19 7 0 80.34 5.39 19 7 0 86.66 6.59 -19 7 0 86.19 6.94 19 -7 1 6.20 2.61 19 -7 1 11.61 5.41 19 7 1 6.79 2.44 19 7 1 10.72 5.26 -19 -7 -1 7.14 5.49 19 -7 2 14.82 5.99 19 7 2 9.98 6.06 19 7 2 14.04 2.75 -19 -7 -2 10.76 5.96 19 7 3 27.65 6.20 19 7 3 28.40 3.47 19 -7 3 32.31 6.36 19 7 4 22.68 6.52 19 -9 -6 15.47 2.96 -19 9 6 17.78 3.80 19 -9 -5 49.32 4.21 -19 9 5 38.99 4.69 19 -9 -4 12.89 2.98 -19 9 4 17.29 4.44 19 -9 -3 84.00 5.40 19 -9 -2 45.69 4.07 19 -9 -2 42.58 5.57 -19 9 2 39.45 3.21 19 -9 -1 12.97 2.81 19 9 -1 12.16 4.94 19 -9 -1 16.31 5.41 -19 9 1 16.33 2.52 19 -9 0 29.89 5.81 19 9 0 20.64 5.39 -19 9 0 24.78 2.95 19 9 1 28.87 5.97 19 -9 1 34.96 6.19 -19 9 -1 20.56 2.95 19 -9 2 22.04 6.46 19 9 2 23.50 6.16 -19 9 -2 18.26 2.96 19 9 3 94.34 8.00 19 -9 3 97.13 8.05 -19 9 -3 94.48 5.88 19 -11 -1 5.78 5.45 -19 11 1 4.90 2.23 19 -11 0 -2.35 5.80 19 11 0 1.33 5.35 -19 11 0 -1.76 2.36 19 11 1 15.72 5.64 19 -11 1 10.91 6.09 -19 11 -1 9.45 2.61 19 11 2 88.17 7.70 19 -11 2 91.63 7.92 -19 11 -2 81.24 5.38 19 -13 0 -0.32 6.03 -19 13 0 1.56 2.46 19 13 1 17.92 5.98 20 0 -2 91.53 5.75 20 0 -1 1.07 2.44 20 -2 -3 68.78 5.00 20 -2 -2 33.98 3.72 20 -2 -1 21.13 3.27 20 -2 -1 14.21 4.67 20 2 2 86.91 7.37 20 2 3 79.77 7.38 20 -4 -1 6.30 4.76 20 -4 0 105.13 7.36 20 4 0 96.35 7.02 20 4 1 17.00 5.66 20 4 2 58.01 6.87 20 4 3 37.60 6.52 20 -6 0 36.10 5.72 20 6 0 29.69 5.59 20 6 1 49.29 6.34 20 -6 1 59.67 6.59 20 6 2 29.77 6.58 20 -6 2 29.69 6.28 20 6 3 5.08 6.37 20 -8 0 3.19 5.43 20 8 1 53.14 6.62 20 -8 1 62.09 6.92 20 8 2 29.58 6.67 20 -8 2 35.17 6.50 -20 10 0 -0.87 2.52 20 -10 1 20.88 6.30 -20 10 -1 17.36 2.94 20 10 2 68.31 7.60 21 3 2 44.14 7.00 21 -5 2 16.42 6.57 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 58021 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 0.43879(2) 0.14365(2) 0.55990(3) 0.02871(7) Uani 1 1 d . . . . . Rh2 Rh 0.51408(2) 0.23214(2) 0.41231(2) 0.03032(8) Uani 1 1 d . . . . . S1 S 0.31366(7) 0.15531(6) 0.42545(11) 0.0386(2) Uani 1 1 d . . . . . S2 S 0.38090(8) 0.23335(7) 0.29396(11) 0.0400(3) Uani 1 1 d . . . . . O1 O 0.2908(3) 0.0950(2) 0.3499(5) 0.0601(11) Uani 1 1 d . . . . . O2 O 0.2383(3) 0.1887(3) 0.4791(5) 0.0627(11) Uani 1 1 d . . . . . O3 O 0.3844(3) 0.2016(3) 0.1691(4) 0.0585(11) Uani 1 1 d . . . . . O4 O 0.3319(3) 0.2976(3) 0.2957(5) 0.0620(11) Uani 1 1 d . . . . . O7 O 0.7531(5) -0.0354(5) 0.6059(9) 0.125(3) Uani 1 1 d . . . . . O8 O 0.4962(4) 0.5474(3) 0.3300(6) 0.0861(17) Uani 1 1 d . . . . . C1 C 0.5314(3) 0.0790(3) 0.6872(4) 0.0393(9) Uani 1 1 d . . . . . C2 C 0.4611(4) 0.0373(3) 0.6331(5) 0.0451(11) Uani 1 1 d . . . . . C3 C 0.3798(4) 0.0618(4) 0.6732(6) 0.0601(17) Uani 1 1 d . . . . . C4 C 0.3985(5) 0.1190(4) 0.7543(6) 0.0647(19) Uani 1 1 d . . . . . C5 C 0.4917(5) 0.1295(3) 0.7638(5) 0.0531(14) Uani 1 1 d . . . . . C6 C 0.6287(4) 0.0694(4) 0.6749(8) 0.073(2) Uani 1 1 d . . . . . H6A H 0.6590 0.1126 0.6926 0.087 Uiso 1 1 calc R U . . . H6B H 0.6384 0.0568 0.5881 0.087 Uiso 1 1 calc R U . . . C7 C 0.4740(8) -0.0252(4) 0.5534(8) 0.094(3) Uani 1 1 d . . . . . H7A H 0.4300 -0.0258 0.4833 0.113 Uiso 1 1 calc R U . . . H7B H 0.4679 -0.0656 0.6041 0.113 Uiso 1 1 calc R U . . . H7C H 0.5326 -0.0242 0.5220 0.113 Uiso 1 1 calc R U . . . C8 C 0.2917(6) 0.0283(7) 0.6407(11) 0.126(6) Uani 1 1 d . . . . . H8A H 0.2749 0.0016 0.7116 0.151 Uiso 1 1 calc R U . . . H8B H 0.2964 -0.0010 0.5685 0.151 Uiso 1 1 calc R U . . . H8C H 0.2474 0.0628 0.6212 0.151 Uiso 1 1 calc R U . . . C9 C 0.3302(10) 0.1564(7) 0.8250(10) 0.145(7) Uani 1 1 d . . . . . H9A H 0.3481 0.2033 0.8367 0.174 Uiso 1 1 calc R U . . . H9B H 0.3251 0.1352 0.9062 0.174 Uiso 1 1 calc R U . . . H9C H 0.2735 0.1546 0.7773 0.174 Uiso 1 1 calc R U . . . C10 C 0.5402(10) 0.1794(4) 0.8479(8) 0.112(4) Uani 1 1 d . . . . . H10A H 0.5484 0.1607 0.9319 0.134 Uiso 1 1 calc R U . . . H10B H 0.5064 0.2211 0.8502 0.134 Uiso 1 1 calc R U . . . H10C H 0.5974 0.1889 0.8161 0.134 Uiso 1 1 calc R U . . . C11 C 0.6697(4) 0.0148(5) 0.7637(8) 0.076(2) Uani 1 1 d . . . . . H11A H 0.6741 0.0320 0.8500 0.091 Uiso 1 1 calc R U . . . H11B H 0.6319 -0.0255 0.7608 0.091 Uiso 1 1 calc R U . . . C12 C 0.7621(5) -0.0041(7) 0.7241(11) 0.106(4) Uani 1 1 d . . . . . H12A H 0.7985 0.0368 0.7199 0.127 Uiso 1 1 calc R U . . . H12B H 0.7909 -0.0351 0.7858 0.127 Uiso 1 1 calc R U . . . C13 C 0.8314(9) -0.0525(13) 0.5529(14) 0.199(11) Uani 1 1 d . . . . . H13A H 0.8674 -0.0801 0.6116 0.239 Uiso 1 1 calc R U . . . H13B H 0.8633 -0.0115 0.5342 0.239 Uiso 1 1 calc R U . . . H13C H 0.8182 -0.0779 0.4761 0.239 Uiso 1 1 calc R U . . . C14 C 0.5780(3) 0.3344(3) 0.3997(5) 0.0432(10) Uani 1 1 d . . . . . C15 C 0.5804(3) 0.3003(3) 0.2788(5) 0.0431(11) Uani 1 1 d . . . . . C16 C 0.6344(3) 0.2401(3) 0.2958(5) 0.0411(10) Uani 1 1 d . . . . . C17 C 0.6667(3) 0.2381(3) 0.4262(5) 0.0410(10) Uani 1 1 d . . . . . C18 C 0.6326(3) 0.2957(3) 0.4904(5) 0.0403(10) Uani 1 1 d . . . . . C19 C 0.5370(3) 0.4021(3) 0.4197(8) 0.0604(17) Uani 1 1 d . . . . . H19A H 0.5214 0.4058 0.5071 0.072 Uiso 1 1 calc R U . . . H19B H 0.4826 0.4063 0.3654 0.072 Uiso 1 1 calc R U . . . C20 C 0.5409(5) 0.3245(4) 0.1528(6) 0.0634(17) Uani 1 1 d . . . . . H20A H 0.5050 0.2887 0.1134 0.076 Uiso 1 1 calc R U . . . H20B H 0.5879 0.3363 0.0995 0.076 Uiso 1 1 calc R U . . . H20C H 0.5044 0.3641 0.1647 0.076 Uiso 1 1 calc R U . . . C21 C 0.6601(5) 0.1928(4) 0.1923(7) 0.0664(17) Uani 1 1 d . . . . . H21A H 0.7077 0.2129 0.1487 0.080 Uiso 1 1 calc R U . . . H21B H 0.6095 0.1855 0.1334 0.080 Uiso 1 1 calc R U . . . H21C H 0.6794 0.1497 0.2284 0.080 Uiso 1 1 calc R U . . . C22 C 0.7344(4) 0.1879(4) 0.4806(8) 0.0590(15) Uani 1 1 d . . . . . H22A H 0.7154 0.1422 0.4592 0.071 Uiso 1 1 calc R U . . . H22B H 0.7403 0.1927 0.5712 0.071 Uiso 1 1 calc R U . . . H22C H 0.7909 0.1967 0.4464 0.071 Uiso 1 1 calc R U . . . C23 C 0.6564(4) 0.3153(4) 0.6244(6) 0.0644(18) Uani 1 1 d . . . . . H23A H 0.7122 0.3394 0.6295 0.077 Uiso 1 1 calc R U . . . H23B H 0.6617 0.2747 0.6758 0.077 Uiso 1 1 calc R U . . . H23C H 0.6106 0.3442 0.6544 0.077 Uiso 1 1 calc R U . . . C24 C 0.6013(4) 0.4607(4) 0.3902(11) 0.082(3) Uani 1 1 d . . . . . H24A H 0.6576 0.4535 0.4389 0.098 Uiso 1 1 calc R U . . . H24B H 0.6130 0.4585 0.3011 0.098 Uiso 1 1 calc R U . . . C25 C 0.5674(5) 0.5311(4) 0.4188(10) 0.079(2) Uani 1 1 d . . . . . H25A H 0.5471 0.5323 0.5040 0.095 Uiso 1 1 calc R U . . . H25B H 0.6150 0.5644 0.4137 0.095 Uiso 1 1 calc R U . . . C26 C 0.4656(8) 0.6119(4) 0.3533(10) 0.093(3) Uani 1 1 d . . . . . H26A H 0.5152 0.6430 0.3630 0.112 Uiso 1 1 calc R U . . . H26B H 0.4344 0.6116 0.4297 0.112 Uiso 1 1 calc R U . . . H26C H 0.4258 0.6265 0.2836 0.112 Uiso 1 1 calc R U . . . C27 C 0.5031(3) 0.1276(3) 0.3969(4) 0.0340(9) Uani 1 1 d . . . . . H27A H 0.5589 0.1026 0.4079 0.041 Uiso 1 1 calc R U . . . H27B H 0.4656 0.1113 0.3248 0.041 Uiso 1 1 calc R U . . . C28 C 0.4378(4) 0.2486(2) 0.5629(6) 0.0370(8) Uani 1 1 d . . . . . H28A H 0.3801 0.2696 0.5421 0.044 Uiso 1 1 calc R U . . . H28B H 0.4688 0.2694 0.6367 0.044 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 0.02595(13) 0.03397(15) 0.02606(13) -0.00075(12) 0.00069(9) 0.00321(12) Rh2 0.02450(13) 0.03849(17) 0.02724(13) 0.00058(12) -0.00376(10) -0.00260(12) S1 0.0261(5) 0.0497(6) 0.0393(5) 0.0015(5) -0.0042(4) -0.0028(4) S2 0.0301(5) 0.0526(7) 0.0354(5) 0.0073(4) -0.0114(4) -0.0038(4) O1 0.054(2) 0.063(3) 0.062(3) -0.001(2) -0.0126(19) -0.019(2) O2 0.0297(18) 0.083(3) 0.075(3) 0.007(2) 0.0032(17) 0.0076(18) O3 0.053(2) 0.085(3) 0.0347(18) 0.0007(19) -0.0121(16) -0.014(2) O4 0.052(2) 0.061(3) 0.070(3) 0.014(2) -0.016(2) 0.0101(19) O7 0.087(5) 0.169(8) 0.123(6) 0.043(6) 0.040(4) 0.060(5) O8 0.082(4) 0.064(3) 0.109(5) -0.013(3) -0.016(3) 0.001(3) C1 0.035(2) 0.043(2) 0.039(2) 0.0099(18) -0.0003(17) 0.0086(18) C2 0.064(3) 0.035(2) 0.036(2) 0.0062(18) 0.004(2) -0.004(2) C3 0.043(3) 0.082(4) 0.054(3) 0.036(3) -0.002(2) -0.005(3) C4 0.068(4) 0.089(5) 0.040(3) 0.025(3) 0.022(3) 0.042(4) C5 0.089(4) 0.041(3) 0.027(2) 0.0047(18) -0.014(2) 0.007(3) C6 0.037(3) 0.098(5) 0.084(5) 0.049(4) 0.013(3) 0.021(3) C7 0.175(11) 0.042(3) 0.065(4) -0.009(3) 0.010(6) -0.011(4) C8 0.063(5) 0.171(11) 0.140(9) 0.105(9) -0.027(5) -0.052(6) C9 0.183(12) 0.175(11) 0.088(7) 0.061(7) 0.089(8) 0.134(11) C10 0.212(13) 0.056(4) 0.058(4) -0.002(3) -0.060(6) -0.014(6) C11 0.045(3) 0.101(6) 0.083(5) 0.047(4) 0.010(3) 0.026(3) C12 0.050(4) 0.149(10) 0.120(8) 0.065(7) 0.017(4) 0.045(5) C13 0.093(8) 0.39(3) 0.121(10) 0.091(15) 0.043(8) 0.109(14) C14 0.029(2) 0.042(2) 0.058(3) -0.006(2) 0.0001(19) -0.0065(17) C15 0.035(2) 0.053(3) 0.040(2) 0.007(2) -0.0040(18) -0.009(2) C16 0.038(2) 0.047(3) 0.039(2) 0.0032(19) 0.0060(19) -0.0080(19) C17 0.0255(19) 0.052(3) 0.045(2) 0.003(2) -0.0003(17) -0.0048(17) C18 0.0243(18) 0.055(3) 0.041(2) -0.004(2) -0.0028(16) -0.0072(18) C19 0.030(2) 0.046(3) 0.105(5) -0.011(3) 0.004(3) -0.0018(19) C20 0.061(4) 0.073(4) 0.054(3) 0.027(3) -0.005(3) -0.017(3) C21 0.074(4) 0.069(4) 0.059(4) -0.009(3) 0.030(3) -0.012(3) C22 0.031(2) 0.068(4) 0.078(4) 0.026(3) 0.005(2) 0.001(2) C23 0.033(2) 0.106(6) 0.053(3) -0.030(3) -0.007(2) -0.009(3) C24 0.041(3) 0.055(4) 0.150(8) -0.021(4) 0.015(4) -0.007(3) C25 0.062(4) 0.049(3) 0.125(7) -0.016(4) -0.004(4) -0.010(3) C26 0.118(8) 0.065(5) 0.094(6) 0.000(4) -0.019(5) 0.003(5) C27 0.034(2) 0.041(2) 0.027(2) -0.0030(17) 0.0033(16) 0.0014(18) C28 0.036(2) 0.0369(18) 0.038(2) -0.004(2) 0.0013(16) 0.0000(19) 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 99.8(2) . . ? C28 Rh1 C3 135.1(3) . . ? C27 Rh1 C3 124.8(3) . . ? C28 Rh1 C2 157.7(2) . . ? C27 Rh1 C2 94.6(2) . . ? C3 Rh1 C2 36.8(2) . . ? C28 Rh1 C4 101.4(3) . . ? C27 Rh1 C4 155.5(2) . . ? C3 Rh1 C4 37.4(3) . . ? C2 Rh1 C4 61.6(2) . . ? C28 Rh1 C1 123.7(2) . . ? C27 Rh1 C1 96.26(18) . . ? C3 Rh1 C1 61.8(2) . . ? C2 Rh1 C1 37.0(2) . . ? C4 Rh1 C1 61.63(19) . . ? C28 Rh1 C5 96.3(2) . . ? C27 Rh1 C5 128.7(2) . . ? C3 Rh1 C5 61.7(2) . . ? C2 Rh1 C5 61.44(19) . . ? C4 Rh1 C5 36.6(3) . . ? C1 Rh1 C5 36.9(2) . . ? C28 Rh1 S1 84.48(17) . . ? C27 Rh1 S1 84.68(13) . . ? C3 Rh1 S1 93.76(15) . . ? C2 Rh1 S1 113.91(15) . . ? C4 Rh1 S1 109.32(19) . . ? C1 Rh1 S1 150.87(14) . . ? C5 Rh1 S1 145.52(19) . . ? C28 Rh1 Rh2 50.00(17) . . ? C27 Rh1 Rh2 50.11(14) . . ? C3 Rh1 Rh2 174.9(2) . . ? C2 Rh1 Rh2 139.01(15) . . ? C4 Rh1 Rh2 147.1(2) . . ? C1 Rh1 Rh2 116.63(13) . . ? C5 Rh1 Rh2 120.42(17) . . ? S1 Rh1 Rh2 86.24(3) . . ? C28 Rh2 C27 99.9(2) . . ? C28 Rh2 C15 134.2(2) . . ? C27 Rh2 C15 125.6(2) . . ? C28 Rh2 C14 99.9(2) . . ? C27 Rh2 C14 157.00(19) . . ? C15 Rh2 C14 37.9(2) . . ? C28 Rh2 C16 157.3(2) . . ? C27 Rh2 C16 95.04(19) . . ? C15 Rh2 C16 37.3(2) . . ? C14 Rh2 C16 62.68(19) . . ? C28 Rh2 C18 95.6(2) . . ? C27 Rh2 C18 128.80(19) . . ? C15 Rh2 C18 62.07(18) . . ? C14 Rh2 C18 37.12(19) . . ? C16 Rh2 C18 61.71(18) . . ? C28 Rh2 S2 84.79(17) . . ? C27 Rh2 S2 84.51(13) . . ? C15 Rh2 S2 93.39(13) . . ? C14 Rh2 S2 108.87(13) . . ? C16 Rh2 S2 113.81(14) . . ? C18 Rh2 S2 145.66(14) . . ? C28 Rh2 C17 123.5(2) . . ? C27 Rh2 C17 97.51(19) . . ? C15 Rh2 C17 61.40(18) . . ? C14 Rh2 C17 61.53(18) . . ? C16 Rh2 C17 36.65(18) . . ? C18 Rh2 C17 36.36(19) . . ? S2 Rh2 C17 150.42(14) . . ? C28 Rh2 Rh1 50.03(14) . . ? C27 Rh2 Rh1 50.17(13) . . ? C15 Rh2 Rh1 175.75(16) . . ? C14 Rh2 Rh1 146.01(14) . . ? C16 Rh2 Rh1 139.36(14) . . ? C18 Rh2 Rh1 119.92(13) . . ? S2 Rh2 Rh1 86.34(3) . . ? C17 Rh2 Rh1 117.59(13) . . ? O1 S1 O2 114.6(3) . . ? O1 S1 Rh1 114.5(2) . . ? O2 S1 Rh1 115.5(2) . . ? O1 S1 S2 107.3(2) . . ? O2 S1 S2 108.6(2) . . ? Rh1 S1 S2 93.69(5) . . ? O4 S2 O3 115.2(3) . . ? O4 S2 Rh2 115.27(19) . . ? O3 S2 Rh2 113.98(18) . . ? O4 S2 S1 108.4(2) . . ? O3 S2 S1 107.7(2) . . ? Rh2 S2 S1 93.72(5) . . ? C13 O7 C12 115.9(12) . . ? C26 O8 C25 109.7(7) . . ? C2 C1 C5 107.2(5) . . ? C2 C1 C6 126.9(6) . . ? C5 C1 C6 125.8(6) . . ? C2 C1 Rh1 70.6(3) . . ? C5 C1 Rh1 71.8(3) . . ? C6 C1 Rh1 126.1(4) . . ? C3 C2 C1 108.8(5) . . ? C3 C2 C7 126.4(7) . . ? C1 C2 C7 124.7(7) . . ? C3 C2 Rh1 71.0(3) . . ? C1 C2 Rh1 72.4(3) . . ? C7 C2 Rh1 125.7(4) . . ? C2 C3 C4 107.9(5) . . ? C2 C3 C8 123.8(9) . . ? C4 C3 C8 128.1(9) . . ? C2 C3 Rh1 72.2(3) . . ? C4 C3 Rh1 71.9(4) . . ? C8 C3 Rh1 124.8(5) . . ? C5 C4 C3 108.2(5) . . ? C5 C4 C9 127.1(10) . . ? C3 C4 C9 124.5(10) . . ? C5 C4 Rh1 72.9(3) . . ? C3 C4 Rh1 70.7(3) . . ? C9 C4 Rh1 126.2(5) . . ? C4 C5 C1 108.0(5) . . ? C4 C5 C10 125.8(8) . . ? C1 C5 C10 126.0(8) . . ? C4 C5 Rh1 70.5(3) . . ? C1 C5 Rh1 71.3(3) . . ? C10 C5 Rh1 128.3(5) . . ? C1 C6 C11 113.2(5) . . ? C1 C6 H6A 108.9 . . ? C11 C6 H6A 108.9 . . ? C1 C6 H6B 108.9 . . ? C11 C6 H6B 108.9 . . ? H6A C6 H6B 107.8 . . ? 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 109.8(6) . . ? C12 C11 H11A 109.7 . . ? C6 C11 H11A 109.7 . . ? C12 C11 H11B 109.7 . . ? C6 C11 H11B 109.7 . . ? H11A C11 H11B 108.2 . . ? O7 C12 C11 108.6(8) . . ? O7 C12 H12A 110.0 . . ? C11 C12 H12A 110.0 . . ? O7 C12 H12B 110.0 . . ? C11 C12 H12B 110.0 . . ? 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 . . ? C18 C14 C15 107.6(4) . . ? C18 C14 C19 126.8(5) . . ? C15 C14 C19 125.0(6) . . ? C18 C14 Rh2 73.6(3) . . ? C15 C14 Rh2 71.1(3) . . ? C19 C14 Rh2 127.5(4) . . ? C16 C15 C14 108.3(4) . . ? C16 C15 C20 123.9(6) . . ? C14 C15 C20 127.6(6) . . ? C16 C15 Rh2 72.7(3) . . ? C14 C15 Rh2 71.1(3) . . ? C20 C15 Rh2 125.8(4) . . ? C17 C16 C15 107.2(5) . . ? C17 C16 C21 126.8(6) . . ? C15 C16 C21 125.7(5) . . ? C17 C16 Rh2 72.9(3) . . ? C15 C16 Rh2 70.0(3) . . ? C21 C16 Rh2 127.5(4) . . ? C18 C17 C16 109.2(4) . . ? C18 C17 C22 126.1(5) . . ? C16 C17 C22 124.4(6) . . ? C18 C17 Rh2 71.4(3) . . ? C16 C17 Rh2 70.5(3) . . ? C22 C17 Rh2 129.9(4) . . ? C17 C18 C14 107.7(4) . . ? C17 C18 C23 125.7(5) . . ? C14 C18 C23 126.4(5) . . ? C17 C18 Rh2 72.2(3) . . ? C14 C18 Rh2 69.3(2) . . ? C23 C18 Rh2 128.1(4) . . ? C14 C19 C24 111.2(5) . . ? 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 114.3(6) . . ? C25 C24 H24A 108.7 . . ? C19 C24 H24A 108.7 . . ? C25 C24 H24B 108.7 . . ? C19 C24 H24B 108.7 . . ? H24A C24 H24B 107.6 . . ? O8 C25 C24 108.9(7) . . ? O8 C25 H25A 109.9 . . ? C24 C25 H25A 109.9 . . ? O8 C25 H25B 109.9 . . ? C24 C25 H25B 109.9 . . ? H25A C25 H25B 108.3 . . ? 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 79.73(17) . . ? 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 . . ? Rh2 C28 Rh1 79.97(19) . . ? Rh2 C28 H28A 115.3 . . ? Rh1 C28 H28A 115.3 . . ? Rh2 C28 H28B 115.3 . . ? Rh1 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 2.048(5) . ? Rh1 C27 2.054(5) . ? Rh1 C3 2.216(6) . ? Rh1 C2 2.232(5) . ? Rh1 C4 2.232(5) . ? Rh1 C1 2.255(4) . ? Rh1 C5 2.263(4) . ? Rh1 S1 2.2906(11) . ? Rh1 Rh2 2.6319(4) . ? Rh2 C28 2.047(6) . ? Rh2 C27 2.052(5) . ? Rh2 C15 2.222(5) . ? Rh2 C14 2.222(5) . ? Rh2 C16 2.259(5) . ? Rh2 C18 2.279(4) . ? Rh2 S2 2.2875(10) . ? Rh2 C17 2.290(4) . ? S1 O1 1.450(5) . ? S1 O2 1.453(5) . ? S1 S2 2.3358(17) . ? S2 O4 1.454(5) . ? S2 O3 1.461(4) . ? O7 C13 1.377(13) . ? O7 C12 1.389(15) . ? O8 C26 1.368(11) . ? O8 C25 1.412(10) . ? C1 C2 1.423(7) . ? C1 C5 1.431(8) . ? C1 C6 1.488(7) . ? C2 C3 1.403(9) . ? C2 C7 1.502(9) . ? C3 C4 1.425(11) . ? C3 C8 1.494(10) . ? C4 C5 1.412(10) . ? C4 C9 1.497(9) . ? C5 C10 1.477(9) . ? C6 C11 1.522(9) . ? 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 1.520(10) . ? 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 1.434(7) . ? C14 C15 1.442(8) . ? C14 C19 1.480(8) . ? C15 C16 1.433(8) . ? C15 C20 1.498(8) . ? C16 C17 1.430(7) . ? C16 C21 1.501(8) . ? C17 C18 1.425(8) . ? C17 C22 1.499(8) . ? C18 C23 1.487(7) . ? C19 C24 1.541(9) . ? 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 1.503(10) . ? 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 C5 C1 C2 C3 0.9(5) . . . . ? C6 C1 C2 C3 176.8(5) . . . . ? Rh1 C1 C2 C3 -62.1(4) . . . . ? C5 C1 C2 C7 -175.4(5) . . . . ? C6 C1 C2 C7 0.5(9) . . . . ? Rh1 C1 C2 C7 121.6(6) . . . . ? C5 C1 C2 Rh1 62.9(3) . . . . ? C6 C1 C2 Rh1 -121.1(5) . . . . ? C1 C2 C3 C4 -0.6(6) . . . . ? C7 C2 C3 C4 175.7(6) . . . . ? Rh1 C2 C3 C4 -63.5(4) . . . . ? C1 C2 C3 C8 -176.6(6) . . . . ? C7 C2 C3 C8 -0.4(10) . . . . ? Rh1 C2 C3 C8 120.4(6) . . . . ? C1 C2 C3 Rh1 63.0(3) . . . . ? C7 C2 C3 Rh1 -120.8(6) . . . . ? C2 C3 C4 C5 0.0(6) . . . . ? C8 C3 C4 C5 175.8(6) . . . . ? Rh1 C3 C4 C5 -63.7(4) . . . . ? C2 C3 C4 C9 -175.1(6) . . . . ? C8 C3 C4 C9 0.8(10) . . . . ? Rh1 C3 C4 C9 121.2(6) . . . . ? C2 C3 C4 Rh1 63.7(4) . . . . ? C8 C3 C4 Rh1 -120.5(7) . . . . ? C3 C4 C5 C1 0.5(6) . . . . ? C9 C4 C5 C1 175.4(6) . . . . ? Rh1 C4 C5 C1 -61.8(3) . . . . ? C3 C4 C5 C10 -173.9(6) . . . . ? C9 C4 C5 C10 1.0(10) . . . . ? Rh1 C4 C5 C10 123.8(6) . . . . ? C3 C4 C5 Rh1 62.3(4) . . . . ? C9 C4 C5 Rh1 -122.8(7) . . . . ? C2 C1 C5 C4 -0.9(5) . . . . ? C6 C1 C5 C4 -176.9(5) . . . . ? Rh1 C1 C5 C4 61.3(3) . . . . ? C2 C1 C5 C10 173.6(6) . . . . ? C6 C1 C5 C10 -2.5(9) . . . . ? Rh1 C1 C5 C10 -124.3(6) . . . . ? C2 C1 C5 Rh1 -62.2(3) . . . . ? C6 C1 C5 Rh1 121.8(5) . . . . ? C2 C1 C6 C11 -79.8(9) . . . . ? C5 C1 C6 C11 95.4(9) . . . . ? Rh1 C1 C6 C11 -171.7(6) . . . . ? C1 C6 C11 C12 166.4(9) . . . . ? C13 O7 C12 C11 176.6(12) . . . . ? C6 C11 C12 O7 -65.9(12) . . . . ? C18 C14 C15 C16 1.4(6) . . . . ? C19 C14 C15 C16 173.4(5) . . . . ? Rh2 C14 C15 C16 -63.6(3) . . . . ? C18 C14 C15 C20 -173.8(5) . . . . ? C19 C14 C15 C20 -1.9(8) . . . . ? Rh2 C14 C15 C20 121.1(5) . . . . ? C18 C14 C15 Rh2 65.0(3) . . . . ? C19 C14 C15 Rh2 -123.0(5) . . . . ? C14 C15 C16 C17 -1.3(6) . . . . ? C20 C15 C16 C17 174.2(5) . . . . ? Rh2 C15 C16 C17 -63.8(3) . . . . ? C14 C15 C16 C21 -175.1(5) . . . . ? C20 C15 C16 C21 0.4(8) . . . . ? Rh2 C15 C16 C21 122.4(5) . . . . ? C14 C15 C16 Rh2 62.6(3) . . . . ? C20 C15 C16 Rh2 -122.0(5) . . . . ? C15 C16 C17 C18 0.7(5) . . . . ? C21 C16 C17 C18 174.4(5) . . . . ? Rh2 C16 C17 C18 -61.2(3) . . . . ? C15 C16 C17 C22 -172.5(5) . . . . ? C21 C16 C17 C22 1.2(8) . . . . ? Rh2 C16 C17 C22 125.6(5) . . . . ? C15 C16 C17 Rh2 61.9(3) . . . . ? C21 C16 C17 Rh2 -124.4(5) . . . . ? C16 C17 C18 C14 0.2(5) . . . . ? C22 C17 C18 C14 173.2(5) . . . . ? Rh2 C17 C18 C14 -60.5(3) . . . . ? C16 C17 C18 C23 -174.8(5) . . . . ? C22 C17 C18 C23 -1.8(8) . . . . ? Rh2 C17 C18 C23 124.6(6) . . . . ? C16 C17 C18 Rh2 60.7(3) . . . . ? C22 C17 C18 Rh2 -126.3(5) . . . . ? C15 C14 C18 C17 -0.9(5) . . . . ? C19 C14 C18 C17 -172.7(5) . . . . ? Rh2 C14 C18 C17 62.4(3) . . . . ? C15 C14 C18 C23 173.9(5) . . . . ? C19 C14 C18 C23 2.1(9) . . . . ? Rh2 C14 C18 C23 -122.7(5) . . . . ? C15 C14 C18 Rh2 -63.3(3) . . . . ? C19 C14 C18 Rh2 124.9(5) . . . . ? C18 C14 C19 C24 87.8(9) . . . . ? C15 C14 C19 C24 -82.7(8) . . . . ? Rh2 C14 C19 C24 -174.8(6) . . . . ? C14 C19 C24 C25 -175.1(7) . . . . ? C26 O8 C25 C24 -178.9(8) . . . . ? C19 C24 C25 O8 -70.4(11) . . . . ?