#------------------------------------------------------------------------------ #$Date: 2019-11-08 01:51:26 +0200 (Fri, 08 Nov 2019) $ #$Revision: 224593 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/03/1550310.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_1550310 loop_ _publ_author_name 'Walsh, Aaron P.' 'Laureanti, Joseph A.' 'Katipamula, Sriram' 'Chambers, Geoffrey M.' 'Priyadarshani, Nilusha' 'Lense, Sheri' 'Bays, J. Timothy' 'Linehan, John C.' 'Shaw, Wendy J.' _publ_section_title ; Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO2 hydrogenation. ; _journal_issue 0 _journal_name_full 'Faraday discussions' _journal_page_first 123 _journal_page_last 140 _journal_paper_doi 10.1039/c8fd00164b _journal_volume 215 _journal_year 2019 _chemical_formula_moiety 'C23 H56 F3 N2 O3 P4 Rh S' _chemical_formula_sum 'C23 H56 F3 N2 O3 P4 Rh S' _chemical_formula_weight 724.54 _chemical_name_systematic '[(H)2Rh(PNMeP)2]' _chemical_properties_physical Air-sensitive _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2018-10-22 deposited with the CCDC. 2018-11-23 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 95.690(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.1497(4) _cell_length_b 11.3546(4) _cell_length_c 29.0077(11) _cell_measurement_reflns_used 9915 _cell_measurement_temperature 140(2) _cell_measurement_theta_max 30.75 _cell_measurement_theta_min 2.74 _cell_volume 3326.5(2) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _diffrn_ambient_temperature 140(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0414 _diffrn_reflns_av_unetI/netI 0.0323 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 42 _diffrn_reflns_limit_l_min -42 _diffrn_reflns_number 89174 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.990 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.606 _diffrn_reflns_theta_min 1.927 _diffrn_source 'fine-focus sealed tube' _exptl_absorpt_coefficient_mu 0.812 _exptl_absorpt_correction_T_max 0.9476 _exptl_absorpt_correction_T_min 0.7637 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.447 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 1520 _exptl_crystal_size_max 0.351 _exptl_crystal_size_mid 0.213 _exptl_crystal_size_min 0.067 _refine_diff_density_max 0.923 _refine_diff_density_min -0.736 _refine_diff_density_rms 0.083 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 346 _refine_ls_number_reflns 11055 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.026 _refine_ls_R_factor_all 0.0434 _refine_ls_R_factor_gt 0.0299 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0278P)^2^+2.6569P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0650 _refine_ls_wR_factor_ref 0.0705 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9000 _reflns_number_total 11055 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c8fd00164b2.cif _cod_data_source_block SLTim1 _cod_depositor_comments 'Adding full bibliography for 1550310.cif.' _cod_database_code 1550310 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.764 _shelx_estimated_absorpt_t_max 0.948 _shelx_res_file ; TITL SLTim1 in P2(1)/n SLTim1.res created by SHELXL-2018/3 at 09:08:44 on 15-Oct-2018 CELL 0.71073 10.1497 11.3546 29.0077 90.000 95.690 90.000 ZERR 4.00 0.0004 0.0004 0.0011 0.000 0.002 0.000 LATT 1 SYMM 0.5-X, 0.5+Y, 0.5-Z SFAC C H N O P S Rh F UNIT 92 224 8 12 16 4 4 12 L.S. 20 BOND $H OMIT 0 0 2 ACTA WPDB 1 CONF HTAB FMAP 2 PLAN 20 SIZE 0.067 0.213 0.351 TEMP -133.15 WGHT 0.027800 2.656900 FVAR 0.08865 C1 1 1.037061 1.020975 0.141669 11.00000 0.01748 0.02134 = 0.02700 0.00045 0.00007 -0.00424 AFIX 23 H1A 2 1.088526 0.972991 0.121298 11.00000 -1.20000 H1B 2 1.072675 1.102179 0.142084 11.00000 -1.20000 AFIX 0 C2 1 1.056542 0.843955 0.188912 11.00000 0.01624 0.02090 = 0.02689 -0.00005 -0.00522 -0.00151 AFIX 23 H2A 2 1.103578 0.816835 0.218542 11.00000 -1.20000 H2B 2 1.106942 0.815779 0.163545 11.00000 -1.20000 AFIX 0 C3 1 1.174828 1.019616 0.214173 11.00000 0.02439 0.02837 = 0.03361 -0.00436 -0.00915 -0.00665 AFIX 33 H3A 2 1.184529 0.986131 0.245464 11.00000 -1.50000 H3B 2 1.251967 0.998405 0.198112 11.00000 -1.50000 H3C 2 1.168411 1.105553 0.216147 11.00000 -1.50000 AFIX 0 C4 1 0.930567 0.619896 0.181297 11.00000 0.01999 0.01769 = 0.02492 0.00247 -0.00066 0.00080 AFIX 23 H4A 2 0.846661 0.575146 0.180507 11.00000 -1.20000 H4B 2 0.969101 0.603274 0.151935 11.00000 -1.20000 AFIX 0 C5 1 1.025086 0.570891 0.220886 11.00000 0.03065 0.02992 = 0.03049 0.00841 -0.00386 0.00723 AFIX 33 H5A 2 1.038038 0.486407 0.216100 11.00000 -1.50000 H5B 2 1.110452 0.611531 0.221635 11.00000 -1.50000 H5C 2 0.987446 0.583274 0.250340 11.00000 -1.50000 AFIX 0 C6 1 0.839314 0.795310 0.240827 11.00000 0.02851 0.03351 = 0.01565 -0.00118 0.00105 0.00243 AFIX 23 H6A 2 0.758338 0.748064 0.243299 11.00000 -1.20000 H6B 2 0.909852 0.762537 0.263200 11.00000 -1.20000 AFIX 0 C7 1 0.812025 0.921835 0.254947 11.00000 0.04363 0.04018 = 0.02821 -0.01314 0.00614 0.00546 AFIX 33 H7A 2 0.785975 0.922672 0.286586 11.00000 -1.50000 H7B 2 0.892226 0.969278 0.253634 11.00000 -1.50000 H7C 2 0.740357 0.954772 0.233686 11.00000 -1.50000 AFIX 0 C8 1 0.883535 1.086967 0.060697 11.00000 0.03602 0.02095 = 0.02451 0.00511 -0.00083 -0.00892 AFIX 23 H8A 2 0.938767 1.158695 0.065196 11.00000 -1.20000 H8B 2 0.932212 1.029884 0.042936 11.00000 -1.20000 AFIX 0 C9 1 0.754745 1.119099 0.032090 11.00000 0.05349 0.02649 = 0.03899 0.01147 -0.01772 -0.00837 AFIX 33 H9A 2 0.774415 1.152275 0.002345 11.00000 -1.50000 H9B 2 0.700153 1.048340 0.026600 11.00000 -1.50000 H9C 2 0.706719 1.177378 0.048900 11.00000 -1.50000 AFIX 0 C10 1 0.797856 1.146641 0.149224 11.00000 0.03678 0.02094 = 0.03817 -0.01059 0.00053 0.00437 PART 1 AFIX 23 H10A 2 0.815250 1.129892 0.182769 10.65000 -1.20000 H10B 2 0.849160 1.217921 0.142806 10.65000 -1.20000 AFIX 23 PART 2 H10C 2 0.703791 1.155912 0.137073 10.35000 -1.20000 H10D 2 0.798293 1.120788 0.181833 10.35000 -1.20000 AFIX 0 PART 1 C11 1 0.657548 1.174433 0.139449 10.65000 0.05137 0.04832 = 0.05300 -0.00504 0.01039 0.00505 AFIX 33 H11A 2 0.635346 1.241547 0.158464 10.65000 -1.50000 H11B 2 0.638542 1.194404 0.106596 10.65000 -1.50000 H11C 2 0.604495 1.106019 0.146720 10.65000 -1.50000 PART 0 AFIX 0 C12 1 0.602456 0.571031 0.101858 11.00000 0.02188 0.01577 = 0.02402 -0.00113 0.00345 -0.00439 AFIX 23 H12A 2 0.670676 0.531682 0.123287 11.00000 -1.20000 H12B 2 0.519210 0.525818 0.102359 11.00000 -1.20000 AFIX 0 C13 1 0.784139 0.593704 0.053307 11.00000 0.01763 0.01465 = 0.02347 -0.00306 0.00154 -0.00122 AFIX 23 H13A 2 0.811267 0.564497 0.023510 11.00000 -1.20000 H13B 2 0.836175 0.549962 0.078423 11.00000 -1.20000 AFIX 0 C14 1 0.619837 0.446812 0.036841 11.00000 0.03028 0.01971 = 0.03704 -0.01036 0.00370 -0.00722 AFIX 33 H14A 2 0.647191 0.442246 0.005426 11.00000 -1.50000 H14B 2 0.670991 0.390140 0.056838 11.00000 -1.50000 H14C 2 0.525324 0.428317 0.036034 11.00000 -1.50000 AFIX 0 C15 1 1.008529 0.741502 0.058577 11.00000 0.01710 0.02042 = 0.02195 -0.00289 0.00294 -0.00131 AFIX 23 H15A 2 1.041959 0.821397 0.052576 11.00000 -1.20000 H15B 2 1.046399 0.718478 0.090052 11.00000 -1.20000 AFIX 0 C16 1 1.062804 0.656920 0.023940 11.00000 0.02166 0.02391 = 0.02682 -0.00253 0.00725 0.00189 AFIX 33 H16A 2 1.159764 0.660249 0.027312 11.00000 -1.50000 H16B 2 1.033919 0.576517 0.029988 11.00000 -1.50000 H16C 2 1.029460 0.679866 -0.007645 11.00000 -1.50000 AFIX 0 C17 1 0.777969 0.806374 0.000252 11.00000 0.02541 0.02236 = 0.01775 -0.00073 0.00060 -0.00120 AFIX 23 H17A 2 0.817824 0.885223 -0.002794 11.00000 -1.20000 H17B 2 0.815485 0.753686 -0.022297 11.00000 -1.20000 AFIX 0 C18 1 0.628589 0.816115 -0.012859 11.00000 0.02956 0.02506 = 0.02398 0.00087 -0.00623 -0.00102 AFIX 33 H18A 2 0.611896 0.846328 -0.044546 11.00000 -1.50000 H18B 2 0.587926 0.738200 -0.010989 11.00000 -1.50000 H18C 2 0.590271 0.870057 0.008562 11.00000 -1.50000 AFIX 0 C19 1 0.419156 0.758790 0.090278 11.00000 0.01559 0.02790 = 0.02655 0.00169 -0.00265 -0.00186 AFIX 23 H19A 2 0.428341 0.744949 0.057053 11.00000 -1.20000 H19B 2 0.349776 0.704670 0.099382 11.00000 -1.20000 AFIX 0 C20 1 0.371748 0.884998 0.095900 11.00000 0.02101 0.03732 = 0.03898 0.00302 -0.00140 0.00900 AFIX 33 H20A 2 0.287598 0.896698 0.076796 11.00000 -1.50000 H20B 2 0.359204 0.899489 0.128482 11.00000 -1.50000 H20C 2 0.437988 0.939881 0.086035 11.00000 -1.50000 AFIX 0 C21 1 0.526951 0.678068 0.180385 11.00000 0.02307 0.02310 = 0.02338 0.00236 0.00464 -0.00371 AFIX 23 H21A 2 0.458690 0.615780 0.175683 11.00000 -1.20000 H21B 2 0.604912 0.642968 0.198557 11.00000 -1.20000 AFIX 0 C22 1 0.473042 0.775623 0.209366 11.00000 0.03609 0.03482 = 0.02746 0.00004 0.01335 0.00082 AFIX 33 H22A 2 0.450363 0.742880 0.238824 11.00000 -1.50000 H22B 2 0.540427 0.836991 0.215429 11.00000 -1.50000 H22C 2 0.393682 0.809706 0.192474 11.00000 -1.50000 AFIX 0 C23 1 0.294539 0.331631 0.150257 11.00000 0.04218 0.02965 = 0.03489 0.00198 0.00013 -0.00940 PART 2 C11A 1 0.855103 1.262415 0.150421 10.35000 0.01423 AFIX 33 H11D 2 0.804996 1.314366 0.169261 10.35000 -1.50000 H11E 2 0.947341 1.258224 0.163981 10.35000 -1.50000 H11F 2 0.852033 1.293649 0.118839 10.35000 -1.50000 PART 0 AFIX 0 F1 8 0.303854 0.224572 0.132138 11.00000 0.07899 0.02959 = 0.05896 -0.00036 0.01977 -0.00013 F2 8 0.416316 0.368006 0.164344 11.00000 0.04704 0.05890 = 0.07922 0.02401 -0.02855 -0.00955 F3 8 0.231174 0.319377 0.188366 11.00000 0.09584 0.04534 = 0.03367 0.00924 0.01684 -0.00847 H1 2 0.669056 0.917752 0.157670 11.00000 0.03638 H2 2 0.647851 0.914476 0.084029 11.00000 0.03277 N1 3 1.054575 0.972904 0.188450 11.00000 0.01771 0.02012 = 0.02540 -0.00099 -0.00457 -0.00445 N2 3 0.643794 0.566179 0.055145 11.00000 0.01846 0.01536 = 0.02286 -0.00511 0.00090 -0.00412 O1 4 0.290959 0.434616 0.071836 11.00000 0.04670 0.04620 = 0.02905 0.00279 0.01259 0.00462 O2 4 0.082129 0.382092 0.099713 11.00000 0.03006 0.09219 = 0.06519 0.00286 -0.00458 -0.01870 O3 4 0.212574 0.542320 0.135668 11.00000 0.05912 0.03588 = 0.04126 -0.00179 0.01674 0.00642 P1 5 0.862727 1.023494 0.117582 11.00000 0.01707 0.01332 = 0.01944 -0.00064 -0.00047 -0.00160 P2 5 0.889710 0.777405 0.182085 11.00000 0.01508 0.01584 = 0.01572 -0.00029 -0.00090 0.00006 P3 5 0.575865 0.720093 0.123541 11.00000 0.01370 0.01539 = 0.01763 -0.00024 0.00096 -0.00164 P4 5 0.827620 0.750854 0.058862 11.00000 0.01521 0.01390 = 0.01581 -0.00148 0.00083 -0.00134 RH1 7 0.745575 0.852088 0.120785 11.00000 0.01205 0.01156 = 0.01480 -0.00052 -0.00009 -0.00022 S1 6 0.209814 0.434408 0.109536 11.00000 0.02468 0.03805 = 0.02695 -0.00010 0.00265 -0.00166 HKLF 4 REM SLTim1 in P2(1)/n REM wR2 = 0.0705, GooF = S = 1.026, Restrained GooF = 1.026 for all data REM R1 = 0.0299 for 9000 Fo > 4sig(Fo) and 0.0434 for all 11055 data REM 346 parameters refined using 0 restraints END WGHT 0.0278 2.6569 REM Instructions for potential hydrogen bonds EQIV $1 x+1, y, z HTAB C4 O3_$1 HTAB C7 N1 HTAB C12 O1 HTAB C19 O3 EQIV $2 x+1, y+1, z HTAB C11A O2_$2 REM Highest difference peak 0.923, deepest hole -0.736, 1-sigma level 0.083 Q1 1 0.8236 1.2766 0.1383 11.00000 0.05 0.92 Q2 1 0.8852 1.2551 0.1627 11.00000 0.05 0.90 Q3 1 0.4589 0.3247 0.1427 11.00000 0.05 0.58 Q4 1 0.3095 0.2945 0.1874 11.00000 0.05 0.56 Q5 1 0.1552 0.3980 0.1104 11.00000 0.05 0.46 Q6 1 0.2377 0.4068 0.0782 11.00000 0.05 0.45 Q7 1 0.0969 0.3442 0.1211 11.00000 0.05 0.43 Q8 1 0.6773 0.9054 0.1437 11.00000 0.05 0.42 Q9 1 0.9820 0.8151 0.1834 11.00000 0.05 0.41 Q10 1 0.2588 0.5071 0.1494 11.00000 0.05 0.40 Q11 1 0.8145 0.8632 0.1236 11.00000 0.05 0.39 Q12 1 0.5545 0.7049 0.1516 11.00000 0.05 0.39 Q13 1 0.6582 0.8542 0.1177 11.00000 0.05 0.39 Q14 1 0.2531 0.3870 0.1224 11.00000 0.05 0.38 Q15 1 0.7645 0.8784 0.0943 11.00000 0.05 0.37 Q16 1 0.9556 1.0270 0.1326 11.00000 0.05 0.37 Q17 1 1.0580 0.9162 0.1817 11.00000 0.05 0.37 Q18 1 0.8132 0.8577 0.2425 11.00000 0.05 0.37 Q19 1 0.7004 0.8177 0.1511 11.00000 0.05 0.36 Q20 1 1.0127 0.7050 0.0365 11.00000 0.05 0.35 ; _shelx_res_checksum 87928 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_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 C1 C 1.03706(18) 1.02097(16) 0.14167(6) 0.0221(3) Uani 1 1 d . . . . . H1A H 1.088526 0.972991 0.121298 0.026 Uiso 1 1 calc R U . . . H1B H 1.072675 1.102179 0.142084 0.026 Uiso 1 1 calc R U . . . C2 C 1.05654(17) 0.84395(16) 0.18891(7) 0.0218(3) Uani 1 1 d . . . . . H2A H 1.103578 0.816835 0.218542 0.026 Uiso 1 1 calc R U . . . H2B H 1.106942 0.815779 0.163545 0.026 Uiso 1 1 calc R U . . . C3 C 1.1748(2) 1.01962(18) 0.21417(7) 0.0296(4) Uani 1 1 d . . . . . H3A H 1.184529 0.986131 0.245464 0.044 Uiso 1 1 calc R U . . . H3B H 1.251967 0.998405 0.198112 0.044 Uiso 1 1 calc R U . . . H3C H 1.168411 1.105553 0.216147 0.044 Uiso 1 1 calc R U . . . C4 C 0.93057(18) 0.61990(15) 0.18130(6) 0.0211(3) Uani 1 1 d . . . . . H4A H 0.846661 0.575146 0.180507 0.025 Uiso 1 1 calc R U . . . H4B H 0.969101 0.603274 0.151935 0.025 Uiso 1 1 calc R U . . . C5 C 1.0251(2) 0.57089(19) 0.22089(7) 0.0308(4) Uani 1 1 d . . . . . H5A H 1.038038 0.486407 0.216100 0.046 Uiso 1 1 calc R U . . . H5B H 1.110452 0.611531 0.221635 0.046 Uiso 1 1 calc R U . . . H5C H 0.987446 0.583274 0.250340 0.046 Uiso 1 1 calc R U . . . C6 C 0.8393(2) 0.79531(18) 0.24083(6) 0.0260(4) Uani 1 1 d . . . . . H6A H 0.758338 0.748064 0.243299 0.031 Uiso 1 1 calc R U . . . H6B H 0.909852 0.762537 0.263200 0.031 Uiso 1 1 calc R U . . . C7 C 0.8120(2) 0.9218(2) 0.25495(8) 0.0372(5) Uani 1 1 d . . . . . H7A H 0.785975 0.922672 0.286586 0.056 Uiso 1 1 calc R U . . . H7B H 0.892226 0.969278 0.253634 0.056 Uiso 1 1 calc R U . . . H7C H 0.740357 0.954772 0.233686 0.056 Uiso 1 1 calc R U . . . C8 C 0.8835(2) 1.08697(17) 0.06070(7) 0.0274(4) Uani 1 1 d . . . . . H8A H 0.938767 1.158695 0.065196 0.033 Uiso 1 1 calc R U . . . H8B H 0.932212 1.029884 0.042936 0.033 Uiso 1 1 calc R U . . . C9 C 0.7547(3) 1.1191(2) 0.03209(8) 0.0411(6) Uani 1 1 d . . . . . H9A H 0.774415 1.152275 0.002345 0.062 Uiso 1 1 calc R U . . . H9B H 0.700153 1.048340 0.026600 0.062 Uiso 1 1 calc R U . . . H9C H 0.706719 1.177378 0.048900 0.062 Uiso 1 1 calc R U . . . C10 C 0.7979(2) 1.14664(17) 0.14922(8) 0.0322(4) Uani 1 1 d . . . . . H10A H 0.815250 1.129892 0.182769 0.039 Uiso 0.65 1 calc R U P A 1 H10B H 0.849160 1.217921 0.142806 0.039 Uiso 0.65 1 calc R U P A 1 H10C H 0.703791 1.155912 0.137073 0.039 Uiso 0.35 1 calc R U P B 2 H10D H 0.798293 1.120788 0.181833 0.039 Uiso 0.35 1 calc R U P B 2 C11 C 0.6575(4) 1.1744(4) 0.13945(15) 0.0505(10) Uani 0.65 1 d . . P C 1 H11A H 0.635346 1.241547 0.158464 0.076 Uiso 0.65 1 calc R U P C 1 H11B H 0.638542 1.194404 0.106596 0.076 Uiso 0.65 1 calc R U P C 1 H11C H 0.604495 1.106019 0.146720 0.076 Uiso 0.65 1 calc R U P C 1 C12 C 0.60246(18) 0.57103(15) 0.10186(6) 0.0205(3) Uani 1 1 d . . . . . H12A H 0.670676 0.531682 0.123287 0.025 Uiso 1 1 calc R U . . . H12B H 0.519210 0.525818 0.102359 0.025 Uiso 1 1 calc R U . . . C13 C 0.78414(17) 0.59370(15) 0.05331(6) 0.0186(3) Uani 1 1 d . . . . . H13A H 0.811267 0.564497 0.023510 0.022 Uiso 1 1 calc R U . . . H13B H 0.836175 0.549962 0.078423 0.022 Uiso 1 1 calc R U . . . C14 C 0.6198(2) 0.44681(17) 0.03684(7) 0.0290(4) Uani 1 1 d . . . . . H14A H 0.647191 0.442246 0.005426 0.043 Uiso 1 1 calc R U . . . H14B H 0.670991 0.390140 0.056838 0.043 Uiso 1 1 calc R U . . . H14C H 0.525324 0.428317 0.036034 0.043 Uiso 1 1 calc R U . . . C15 C 1.00853(17) 0.74150(16) 0.05858(6) 0.0198(3) Uani 1 1 d . . . . . H15A H 1.041959 0.821397 0.052576 0.024 Uiso 1 1 calc R U . . . H15B H 1.046399 0.718478 0.090052 0.024 Uiso 1 1 calc R U . . . C16 C 1.06280(19) 0.65692(16) 0.02394(7) 0.0238(4) Uani 1 1 d . . . . . H16A H 1.159764 0.660249 0.027312 0.036 Uiso 1 1 calc R U . . . H16B H 1.033919 0.576517 0.029988 0.036 Uiso 1 1 calc R U . . . H16C H 1.029460 0.679866 -0.007645 0.036 Uiso 1 1 calc R U . . . C17 C 0.77797(18) 0.80637(16) 0.00025(6) 0.0219(3) Uani 1 1 d . . . . . H17A H 0.817824 0.885223 -0.002794 0.026 Uiso 1 1 calc R U . . . H17B H 0.815485 0.753686 -0.022297 0.026 Uiso 1 1 calc R U . . . C18 C 0.6286(2) 0.81612(18) -0.01286(7) 0.0268(4) Uani 1 1 d . . . . . H18A H 0.611896 0.846328 -0.044546 0.040 Uiso 1 1 calc R U . . . H18B H 0.587926 0.738200 -0.010989 0.040 Uiso 1 1 calc R U . . . H18C H 0.590271 0.870057 0.008562 0.040 Uiso 1 1 calc R U . . . C19 C 0.41916(18) 0.75879(17) 0.09028(7) 0.0237(4) Uani 1 1 d . . . . . H19A H 0.428341 0.744949 0.057053 0.028 Uiso 1 1 calc R U . . . H19B H 0.349776 0.704670 0.099382 0.028 Uiso 1 1 calc R U . . . C20 C 0.3717(2) 0.8850(2) 0.09590(8) 0.0327(5) Uani 1 1 d . . . . . H20A H 0.287598 0.896698 0.076796 0.049 Uiso 1 1 calc R U . . . H20B H 0.359204 0.899489 0.128482 0.049 Uiso 1 1 calc R U . . . H20C H 0.437988 0.939881 0.086035 0.049 Uiso 1 1 calc R U . . . C21 C 0.52695(19) 0.67807(16) 0.18039(6) 0.0230(4) Uani 1 1 d . . . . . H21A H 0.458690 0.615780 0.175683 0.028 Uiso 1 1 calc R U . . . H21B H 0.604912 0.642968 0.198557 0.028 Uiso 1 1 calc R U . . . C22 C 0.4730(2) 0.77562(19) 0.20937(7) 0.0321(4) Uani 1 1 d . . . . . H22A H 0.450363 0.742880 0.238824 0.048 Uiso 1 1 calc R U . . . H22B H 0.540427 0.836991 0.215429 0.048 Uiso 1 1 calc R U . . . H22C H 0.393682 0.809706 0.192474 0.048 Uiso 1 1 calc R U . . . C23 C 0.2945(2) 0.33163(19) 0.15026(8) 0.0358(5) Uani 1 1 d . . . . . C11A C 0.8551(5) 1.2624(4) 0.15042(15) 0.0142(8) Uiso 0.35 1 d . . P C 2 H11D H 0.804996 1.314366 0.169261 0.021 Uiso 0.35 1 calc R U P C 2 H11E H 0.947341 1.258224 0.163981 0.021 Uiso 0.35 1 calc R U P C 2 H11F H 0.852033 1.293649 0.118839 0.021 Uiso 0.35 1 calc R U P C 2 F1 F 0.30385(18) 0.22457(12) 0.13214(6) 0.0550(4) Uani 1 1 d . . . . . F2 F 0.41632(16) 0.36801(15) 0.16434(6) 0.0640(5) Uani 1 1 d . . . . . F3 F 0.23117(19) 0.31938(14) 0.18837(5) 0.0576(4) Uani 1 1 d . . . . . H1 H 0.669(2) 0.918(2) 0.1577(8) 0.036(6) Uiso 1 1 d . . . . . H2 H 0.648(2) 0.914(2) 0.0840(8) 0.033(6) Uiso 1 1 d . . . . . N1 N 1.05458(15) 0.97290(13) 0.18845(5) 0.0215(3) Uani 1 1 d . . . . . N2 N 0.64379(14) 0.56618(13) 0.05514(5) 0.0190(3) Uani 1 1 d . . . . . O1 O 0.29096(17) 0.43462(15) 0.07184(5) 0.0401(4) Uani 1 1 d . . . . . O2 O 0.08213(18) 0.3821(2) 0.09971(7) 0.0631(6) Uani 1 1 d . . . . . O3 O 0.21257(19) 0.54232(15) 0.13567(6) 0.0446(4) Uani 1 1 d . . . . . P1 P 0.86273(4) 1.02349(4) 0.11758(2) 0.01676(8) Uani 1 1 d . . . . . P2 P 0.88971(4) 0.77740(4) 0.18209(2) 0.01571(8) Uani 1 1 d . . . . . P3 P 0.57587(4) 0.72009(4) 0.12354(2) 0.01561(8) Uani 1 1 d . . . . . P4 P 0.82762(4) 0.75085(4) 0.05886(2) 0.01502(8) Uani 1 1 d . . . . . Rh1 Rh 0.74558(2) 0.85209(2) 0.12078(2) 0.01290(3) Uani 1 1 d . . . . . S1 S 0.20981(5) 0.43441(5) 0.10954(2) 0.02989(11) Uani 1 1 d . . . . . 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 C1 0.0175(8) 0.0213(8) 0.0270(9) 0.0004(7) 0.0001(7) -0.0042(7) C2 0.0162(8) 0.0209(8) 0.0269(9) 0.0000(7) -0.0052(6) -0.0015(7) C3 0.0244(10) 0.0284(10) 0.0336(10) -0.0044(8) -0.0091(8) -0.0066(8) C4 0.0200(8) 0.0177(8) 0.0249(9) 0.0025(6) -0.0007(7) 0.0008(6) C5 0.0307(11) 0.0299(10) 0.0305(10) 0.0084(8) -0.0039(8) 0.0072(8) C6 0.0285(10) 0.0335(10) 0.0156(8) -0.0012(7) 0.0011(7) 0.0024(8) C7 0.0436(13) 0.0402(12) 0.0282(10) -0.0131(9) 0.0061(9) 0.0055(10) C8 0.0360(11) 0.0210(9) 0.0245(9) 0.0051(7) -0.0008(8) -0.0089(8) C9 0.0535(15) 0.0265(10) 0.0390(12) 0.0115(9) -0.0177(11) -0.0084(10) C10 0.0368(11) 0.0209(9) 0.0382(11) -0.0106(8) 0.0005(9) 0.0044(8) C11 0.051(2) 0.048(2) 0.053(2) -0.0050(19) 0.0104(19) 0.0050(19) C12 0.0219(9) 0.0158(8) 0.0240(8) -0.0011(6) 0.0034(7) -0.0044(6) C13 0.0176(8) 0.0147(7) 0.0235(8) -0.0031(6) 0.0015(6) -0.0012(6) C14 0.0303(10) 0.0197(9) 0.0370(11) -0.0104(8) 0.0037(8) -0.0072(8) C15 0.0171(8) 0.0204(8) 0.0219(8) -0.0029(6) 0.0029(6) -0.0013(6) C16 0.0217(9) 0.0239(9) 0.0268(9) -0.0025(7) 0.0073(7) 0.0019(7) C17 0.0254(9) 0.0224(8) 0.0177(8) -0.0007(7) 0.0006(7) -0.0012(7) C18 0.0296(10) 0.0251(9) 0.0240(9) 0.0009(7) -0.0062(7) -0.0010(8) C19 0.0156(8) 0.0279(9) 0.0266(9) 0.0017(7) -0.0027(7) -0.0019(7) C20 0.0210(10) 0.0373(11) 0.0390(12) 0.0030(9) -0.0014(8) 0.0090(8) C21 0.0231(9) 0.0231(9) 0.0234(9) 0.0024(7) 0.0046(7) -0.0037(7) C22 0.0361(11) 0.0348(11) 0.0275(10) 0.0000(8) 0.0133(8) 0.0008(9) C23 0.0422(13) 0.0296(11) 0.0349(11) 0.0020(9) 0.0001(9) -0.0094(9) F1 0.0790(12) 0.0296(7) 0.0590(10) -0.0004(7) 0.0198(8) -0.0001(7) F2 0.0470(10) 0.0589(10) 0.0792(12) 0.0240(9) -0.0285(8) -0.0095(8) F3 0.0958(13) 0.0453(8) 0.0337(8) 0.0092(6) 0.0168(8) -0.0085(9) N1 0.0177(7) 0.0201(7) 0.0254(8) -0.0010(6) -0.0046(6) -0.0044(6) N2 0.0185(7) 0.0154(7) 0.0229(7) -0.0051(5) 0.0009(5) -0.0041(5) O1 0.0467(10) 0.0462(10) 0.0290(8) 0.0028(7) 0.0126(7) 0.0046(8) O2 0.0301(10) 0.0922(16) 0.0652(13) 0.0029(12) -0.0046(9) -0.0187(10) O3 0.0591(11) 0.0359(9) 0.0413(9) -0.0018(7) 0.0167(8) 0.0064(8) P1 0.0171(2) 0.01332(19) 0.0194(2) -0.00064(15) -0.00047(15) -0.00160(15) P2 0.0151(2) 0.01584(19) 0.01572(19) -0.00029(15) -0.00090(15) 0.00006(15) P3 0.01370(19) 0.01539(19) 0.01763(19) -0.00024(15) 0.00096(15) -0.00164(15) P4 0.0152(2) 0.01390(18) 0.01581(19) -0.00148(15) 0.00083(15) -0.00134(15) Rh1 0.01205(6) 0.01156(6) 0.01480(6) -0.00052(4) -0.00009(4) -0.00022(4) S1 0.0247(2) 0.0381(3) 0.0270(2) -0.0001(2) 0.00265(18) -0.0017(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle N1 C1 P1 112.58(12) N1 C1 H1A 109.1 P1 C1 H1A 109.1 N1 C1 H1B 109.1 P1 C1 H1B 109.1 H1A C1 H1B 107.8 N1 C2 P2 113.37(12) N1 C2 H2A 108.9 P2 C2 H2A 108.9 N1 C2 H2B 108.9 P2 C2 H2B 108.9 H2A C2 H2B 107.7 N1 C3 H3A 109.5 N1 C3 H3B 109.5 H3A C3 H3B 109.5 N1 C3 H3C 109.5 H3A C3 H3C 109.5 H3B C3 H3C 109.5 C5 C4 P2 118.13(14) C5 C4 H4A 107.8 P2 C4 H4A 107.8 C5 C4 H4B 107.8 P2 C4 H4B 107.8 H4A C4 H4B 107.1 C4 C5 H5A 109.5 C4 C5 H5B 109.5 H5A C5 H5B 109.5 C4 C5 H5C 109.5 H5A C5 H5C 109.5 H5B C5 H5C 109.5 C7 C6 P2 115.30(14) C7 C6 H6A 108.5 P2 C6 H6A 108.5 C7 C6 H6B 108.5 P2 C6 H6B 108.5 H6A C6 H6B 107.5 C6 C7 H7A 109.5 C6 C7 H7B 109.5 H7A C7 H7B 109.5 C6 C7 H7C 109.5 H7A C7 H7C 109.5 H7B C7 H7C 109.5 C9 C8 P1 114.58(16) C9 C8 H8A 108.6 P1 C8 H8A 108.6 C9 C8 H8B 108.6 P1 C8 H8B 108.6 H8A C8 H8B 107.6 C8 C9 H9A 109.5 C8 C9 H9B 109.5 H9A C9 H9B 109.5 C8 C9 H9C 109.5 H9A C9 H9C 109.5 H9B C9 H9C 109.5 C11A C10 P1 123.1(2) C11 C10 P1 117.4(2) C11 C10 H10A 107.9 P1 C10 H10A 107.9 C11 C10 H10B 107.9 P1 C10 H10B 107.9 H10A C10 H10B 107.2 C11A C10 H10C 106.5 P1 C10 H10C 106.5 C11A C10 H10D 106.5 P1 C10 H10D 106.5 H10C C10 H10D 106.5 C10 C11 H11A 109.5 C10 C11 H11B 109.5 H11A C11 H11B 109.5 C10 C11 H11C 109.5 H11A C11 H11C 109.5 H11B C11 H11C 109.5 N2 C12 P3 114.76(12) N2 C12 H12A 108.6 P3 C12 H12A 108.6 N2 C12 H12B 108.6 P3 C12 H12B 108.6 H12A C12 H12B 107.6 N2 C13 P4 115.41(12) N2 C13 H13A 108.4 P4 C13 H13A 108.4 N2 C13 H13B 108.4 P4 C13 H13B 108.4 H13A C13 H13B 107.5 N2 C14 H14A 109.5 N2 C14 H14B 109.5 H14A C14 H14B 109.5 N2 C14 H14C 109.5 H14A C14 H14C 109.5 H14B C14 H14C 109.5 C16 C15 P4 117.59(13) C16 C15 H15A 107.9 P4 C15 H15A 107.9 C16 C15 H15B 107.9 P4 C15 H15B 107.9 H15A C15 H15B 107.2 C15 C16 H16A 109.5 C15 C16 H16B 109.5 H16A C16 H16B 109.5 C15 C16 H16C 109.5 H16A C16 H16C 109.5 H16B C16 H16C 109.5 C18 C17 P4 115.41(13) C18 C17 H17A 108.4 P4 C17 H17A 108.4 C18 C17 H17B 108.4 P4 C17 H17B 108.4 H17A C17 H17B 107.5 C17 C18 H18A 109.5 C17 C18 H18B 109.5 H18A C18 H18B 109.5 C17 C18 H18C 109.5 H18A C18 H18C 109.5 H18B C18 H18C 109.5 C20 C19 P3 115.85(14) C20 C19 H19A 108.3 P3 C19 H19A 108.3 C20 C19 H19B 108.3 P3 C19 H19B 108.3 H19A C19 H19B 107.4 C19 C20 H20A 109.5 C19 C20 H20B 109.5 H20A C20 H20B 109.5 C19 C20 H20C 109.5 H20A C20 H20C 109.5 H20B C20 H20C 109.5 C22 C21 P3 116.82(13) C22 C21 H21A 108.1 P3 C21 H21A 108.1 C22 C21 H21B 108.1 P3 C21 H21B 108.1 H21A C21 H21B 107.3 C21 C22 H22A 109.5 C21 C22 H22B 109.5 H22A C22 H22B 109.5 C21 C22 H22C 109.5 H22A C22 H22C 109.5 H22B C22 H22C 109.5 F2 C23 F1 107.8(2) F2 C23 F3 106.6(2) F1 C23 F3 106.83(18) F2 C23 S1 111.50(15) F1 C23 S1 112.19(16) F3 C23 S1 111.62(18) C10 C11A H11D 109.5 C10 C11A H11E 109.5 H11D C11A H11E 109.5 C10 C11A H11F 109.5 H11D C11A H11F 109.5 H11E C11A H11F 109.5 C1 N1 C2 112.54(15) C1 N1 C3 110.93(15) C2 N1 C3 110.33(15) C12 N2 C13 113.34(14) C12 N2 C14 108.57(14) C13 N2 C14 108.11(14) C10 P1 C8 103.32(10) C10 P1 C1 101.65(9) C8 P1 C1 98.97(9) C10 P1 Rh1 114.54(8) C8 P1 Rh1 118.56(6) C1 P1 Rh1 117.15(6) C4 P2 C6 101.72(9) C4 P2 C2 101.19(8) C6 P2 C2 101.06(9) C4 P2 Rh1 117.85(6) C6 P2 Rh1 116.91(7) C2 P2 Rh1 115.44(6) C19 P3 C21 103.78(9) C19 P3 C12 100.98(9) C21 P3 C12 97.50(8) C19 P3 Rh1 116.21(6) C21 P3 Rh1 118.28(6) C12 P3 Rh1 117.06(6) C17 P4 C15 101.42(8) C17 P4 C13 102.14(8) C15 P4 C13 100.04(8) C17 P4 Rh1 116.98(6) C15 P4 Rh1 117.41(6) C13 P4 Rh1 116.12(6) P1 Rh1 P3 162.526(17) P1 Rh1 P2 92.908(16) P3 Rh1 P2 98.719(16) P1 Rh1 P4 99.201(16) P3 Rh1 P4 91.792(16) P2 Rh1 P4 99.248(16) P1 Rh1 H1 85.3(9) P3 Rh1 H1 82.1(9) P2 Rh1 H1 88.2(9) P4 Rh1 H1 171.0(9) P1 Rh1 H2 83.3(9) P3 Rh1 H2 83.7(9) P2 Rh1 H2 173.1(8) P4 Rh1 H2 87.1(8) H1 Rh1 H2 85.8(12) O2 S1 O1 115.29(12) O2 S1 O3 115.40(13) O1 S1 O3 114.70(11) O2 S1 C23 102.97(12) O1 S1 C23 103.10(11) O3 S1 C23 102.79(10) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 N1 1.457(2) C1 P1 1.8371(18) C1 H1A 0.9900 C1 H1B 0.9900 C2 N1 1.464(2) C2 P2 1.8469(18) C2 H2A 0.9900 C2 H2B 0.9900 C3 N1 1.465(2) C3 H3A 0.9800 C3 H3B 0.9800 C3 H3C 0.9800 C4 C5 1.527(3) C4 P2 1.8365(18) C4 H4A 0.9900 C4 H4B 0.9900 C5 H5A 0.9800 C5 H5B 0.9800 C5 H5C 0.9800 C6 C7 1.527(3) C6 P2 1.8383(18) C6 H6A 0.9900 C6 H6B 0.9900 C7 H7A 0.9800 C7 H7B 0.9800 C7 H7C 0.9800 C8 C9 1.522(3) C8 P1 1.8319(19) C8 H8A 0.9900 C8 H8B 0.9900 C9 H9A 0.9800 C9 H9B 0.9800 C9 H9C 0.9800 C10 C11A 1.436(5) C10 C11 1.459(5) C10 P1 1.831(2) C10 H10A 0.9900 C10 H10B 0.9900 C10 H10C 0.9900 C10 H10D 0.9900 C11 H11A 0.9800 C11 H11B 0.9800 C11 H11C 0.9800 C12 N2 1.459(2) C12 P3 1.8349(18) C12 H12A 0.9900 C12 H12B 0.9900 C13 N2 1.464(2) C13 P4 1.8414(17) C13 H13A 0.9900 C13 H13B 0.9900 C14 N2 1.467(2) C14 H14A 0.9800 C14 H14B 0.9800 C14 H14C 0.9800 C15 C16 1.531(2) C15 P4 1.8401(18) C15 H15A 0.9900 C15 H15B 0.9900 C16 H16A 0.9800 C16 H16B 0.9800 C16 H16C 0.9800 C17 C18 1.530(3) C17 P4 1.8363(18) C17 H17A 0.9900 C17 H17B 0.9900 C18 H18A 0.9800 C18 H18B 0.9800 C18 H18C 0.9800 C19 C20 1.526(3) C19 P3 1.8302(18) C19 H19A 0.9900 C19 H19B 0.9900 C20 H20A 0.9800 C20 H20B 0.9800 C20 H20C 0.9800 C21 C22 1.525(3) C21 P3 1.8318(18) C21 H21A 0.9900 C21 H21B 0.9900 C22 H22A 0.9800 C22 H22B 0.9800 C22 H22C 0.9800 C23 F2 1.329(3) C23 F1 1.331(3) C23 F3 1.340(3) C23 S1 1.815(2) C11A H11D 0.9800 C11A H11E 0.9800 C11A H11F 0.9800 O1 S1 1.4328(16) O2 S1 1.4284(19) O3 S1 1.4396(17) P1 Rh1 2.2874(4) P2 Rh1 2.3463(4) P3 Rh1 2.2906(4) P4 Rh1 2.3533(4) Rh1 H1 1.57(2) Rh1 H2 1.55(2) 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 P1 C1 N1 C2 82.15(16) P1 C1 N1 C3 -153.70(13) P2 C2 N1 C1 -81.55(17) P2 C2 N1 C3 153.96(14) P3 C12 N2 C13 77.98(17) P3 C12 N2 C14 -161.88(13) P4 C13 N2 C12 -76.09(17) P4 C13 N2 C14 163.51(13) C11A C10 P1 C8 -47.9(3) C11 C10 P1 C8 78.7(3) C11A C10 P1 C1 54.4(3) C11 C10 P1 C1 -179.0(3) C11A C10 P1 Rh1 -178.3(3) C11 C10 P1 Rh1 -51.7(3) C9 C8 P1 C10 -67.56(17) C9 C8 P1 C1 -171.89(15) C9 C8 P1 Rh1 60.39(17) N1 C1 P1 C10 74.50(15) N1 C1 P1 C8 -179.79(13) N1 C1 P1 Rh1 -51.11(14) C5 C4 P2 C6 -51.21(17) C5 C4 P2 C2 52.71(16) C5 C4 P2 Rh1 179.56(12) C7 C6 P2 C4 173.79(16) C7 C6 P2 C2 69.76(17) C7 C6 P2 Rh1 -56.39(17) N1 C2 P2 C4 177.26(13) N1 C2 P2 C6 -78.28(15) N1 C2 P2 Rh1 48.85(15) C20 C19 P3 C21 85.28(16) C20 C19 P3 C12 -174.09(15) C20 C19 P3 Rh1 -46.35(17) C22 C21 P3 C19 -67.49(17) C22 C21 P3 C12 -170.79(15) C22 C21 P3 Rh1 62.93(17) N2 C12 P3 C19 74.02(14) N2 C12 P3 C21 179.70(13) N2 C12 P3 Rh1 -53.17(14) C18 C17 P4 C15 175.57(14) C18 C17 P4 C13 72.54(15) C18 C17 P4 Rh1 -55.39(15) C16 C15 P4 C17 -62.56(15) C16 C15 P4 C13 42.13(15) C16 C15 P4 Rh1 168.68(11) N2 C13 P4 C17 -79.43(14) N2 C13 P4 C15 176.46(13) N2 C13 P4 Rh1 49.05(14) F2 C23 S1 O2 -178.55(19) F1 C23 S1 O2 60.5(2) F3 C23 S1 O2 -59.39(19) F2 C23 S1 O1 61.2(2) F1 C23 S1 O1 -59.77(19) F3 C23 S1 O1 -179.63(16) F2 C23 S1 O3 -58.3(2) F1 C23 S1 O3 -179.29(17) F3 C23 S1 O3 60.85(18)