#------------------------------------------------------------------------------
#$Date: 2025-08-20 14:05:43 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301829 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/35/4063530.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_4063530
loop_
_publ_author_name
'Achard, Thierry'
'Benet-Buchholz, Jordi'
'Riera, Antoni'
'Verdaguer, Xavier'
_publ_section_title
;
 Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide
 Ligands: Synthesis, Structure, and Coordination Modes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              480
_journal_page_last               487
_journal_paper_doi               10.1021/om8006823
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C31 H34 F3 N O4 P Rh S2'
_chemical_formula_weight         739.59
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.6190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7222(5)
_cell_length_b                   32.6857(14)
_cell_length_c                   10.6449(5)
_cell_measurement_reflns_used    9532
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      39.87
_cell_measurement_theta_min      3.38
_cell_volume                     3099.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.791
_diffrn_measured_fraction_theta_max 0.791
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       58
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            54599
_diffrn_reflns_theta_full        39.98
_diffrn_reflns_theta_max         39.98
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  0.9249
_exptl_absorpt_correction_T_min  0.7420
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.523
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.002(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     781
_refine_ls_number_reflns         21463
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0237P)²+0.9280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                21034
_reflns_number_total             21463
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8006823_si_002.cif
_cod_data_source_block           tra01-131_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4063530
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1A Rh 0.314595(16) 0.322831(3) 0.720238(12) 0.01288(3) Uani 1 1 d . . .
S1A S 0.16388(6) 0.406386(11) 0.57846(4) 0.01304(7) Uani 1 1 d . . .
P1A P 0.45145(6) 0.380841(12) 0.78781(4) 0.01253(8) Uani 1 1 d . . .
N1A N 0.3364(2) 0.41916(4) 0.69176(14) 0.0136(3) Uani 1 1 d . . .
C1A C 0.4771(2) 0.39309(5) 0.96194(16) 0.0146(3) Uani 1 1 d . . .
O1A O 0.13393(18) 0.36404(4) 0.62222(13) 0.0157(2) Uani 1 1 d . . .
C2A C 0.5972(2) 0.41525(5) 1.05459(17) 0.0166(3) Uani 1 1 d . . .
H2A H 0.6787 0.4228 1.0317 0.020 Uiso 1 1 calc R . .
C3A C 0.5972(3) 0.42628(5) 1.18165(17) 0.0180(3) Uani 1 1 d . . .
H3A H 0.6789 0.4414 1.2452 0.022 Uiso 1 1 calc R . .
C4A C 0.4786(3) 0.41525(5) 1.21488(17) 0.0190(4) Uani 1 1 d . . .
H4A H 0.4783 0.4233 1.3006 0.023 Uiso 1 1 calc R . .
C5A C 0.3593(3) 0.39243(6) 1.12349(17) 0.0190(4) Uani 1 1 d . . .
H5A H 0.2786 0.3847 1.1472 0.023 Uiso 1 1 calc R . .
C6A C 0.3590(2) 0.38109(5) 0.99771(17) 0.0173(3) Uani 1 1 d . . .
H6A H 0.2786 0.3652 0.9358 0.021 Uiso 1 1 calc R . .
C7A C 0.6312(2) 0.39016(5) 0.78043(17) 0.0153(3) Uani 1 1 d . . .
C8A C 0.6542(3) 0.41749(6) 0.69033(19) 0.0199(4) Uani 1 1 d . . .
H8A H 0.5722 0.4327 0.6278 0.024 Uiso 1 1 calc R . .
C9A C 0.7974(3) 0.42260(7) 0.6915(2) 0.0260(4) Uani 1 1 d . . .
H9A H 0.8126 0.4415 0.6304 0.031 Uiso 1 1 calc R . .
C10A C 0.9171(3) 0.40023(7) 0.7816(2) 0.0263(4) Uani 1 1 d . . .
H10A H 1.0144 0.4039 0.7826 0.032 Uiso 1 1 calc R . .
C11A C 0.8954(3) 0.37234(7) 0.8710(2) 0.0247(4) Uani 1 1 d . . .
H11A H 0.9774 0.3568 0.9323 0.030 Uiso 1 1 calc R . .
C12A C 0.7528(3) 0.36742(6) 0.8697(2) 0.0211(4) Uani 1 1 d . . .
H12A H 0.7379 0.3484 0.9304 0.025 Uiso 1 1 calc R . .
C13A C 0.3686(2) 0.46348(5) 0.72623(17) 0.0152(3) Uani 1 1 d . . .
H13C H 0.3774 0.4773 0.6471 0.018 Uiso 1 1 calc R . .
H13D H 0.4672 0.4657 0.8047 0.018 Uiso 1 1 calc R . .
C14A C 0.2535(2) 0.48612(5) 0.76200(18) 0.0162(3) Uani 1 1 d . . .
C15A C 0.1440(3) 0.50969(5) 0.6630(2) 0.0211(4) Uani 1 1 d . . .
H15A H 0.1373 0.5098 0.5714 0.025 Uiso 1 1 calc R . .
C16A C 0.0441(3) 0.53309(6) 0.6970(3) 0.0280(4) Uani 1 1 d . . .
H16A H -0.0304 0.5491 0.6290 0.034 Uiso 1 1 calc R . .
C17A C 0.0540(3) 0.53286(7) 0.8313(3) 0.0314(5) Uani 1 1 d . . .
H17A H -0.0125 0.5492 0.8554 0.038 Uiso 1 1 calc R . .
C18A C 0.1603(3) 0.50895(7) 0.9294(2) 0.0286(5) Uani 1 1 d . . .
H18A H 0.1645 0.5082 1.0201 0.034 Uiso 1 1 calc R . .
C19A C 0.2614(3) 0.48594(6) 0.89589(19) 0.0217(4) Uani 1 1 d . . .
H19A H 0.3359 0.4701 0.9644 0.026 Uiso 1 1 calc R . .
C20A C 0.1861(2) 0.39769(5) 0.41713(16) 0.0159(3) Uani 1 1 d . . .
C21A C 0.2257(3) 0.43952(5) 0.37651(18) 0.0195(4) Uani 1 1 d . . .
H21D H 0.3277 0.4471 0.4393 0.029 Uiso 1 1 calc R . .
H21E H 0.1545 0.4600 0.3816 0.029 Uiso 1 1 calc R . .
H21F H 0.2201 0.4383 0.2826 0.029 Uiso 1 1 calc R . .
C22A C 0.3032(3) 0.36475(5) 0.43368(17) 0.0201(4) Uani 1 1 d . . .
H22D H 0.3029 0.3581 0.3438 0.030 Uiso 1 1 calc R . .
H22E H 0.2793 0.3401 0.4736 0.030 Uiso 1 1 calc R . .
H22F H 0.4027 0.3748 0.4943 0.030 Uiso 1 1 calc R . .
C23A C 0.0286(3) 0.38431(7) 0.31848(19) 0.0257(4) Uani 1 1 d . . .
H23D H 0.0264 0.3809 0.2262 0.039 Uiso 1 1 calc R . .
H23E H -0.0446 0.4052 0.3165 0.039 Uiso 1 1 calc R . .
H23F H 0.0033 0.3583 0.3497 0.039 Uiso 1 1 calc R . .
C24A C 0.2172(3) 0.26205(5) 0.63542(19) 0.0196(4) Uani 1 1 d . . .
H24A H 0.1408 0.2580 0.5398 0.024 Uiso 1 1 calc R . .
C25A C 0.1808(3) 0.27068(5) 0.7453(2) 0.0190(3) Uani 1 1 d . . .
H25A H 0.0752 0.2734 0.7375 0.023 Uiso 1 1 calc R . .
C26A C 0.3105(3) 0.25433(5) 0.8742(2) 0.0203(4) Uani 1 1 d . . .
H26A H 0.2903 0.2502 0.9584 0.024 Uiso 1 1 calc R . .
C27A C 0.3569(3) 0.21634(5) 0.8137(2) 0.0237(4) Uani 1 1 d . . .
H27A H 0.2782 0.1950 0.7827 0.028 Uiso 1 1 calc R . .
H27B H 0.4537 0.2045 0.8767 0.028 Uiso 1 1 calc R . .
C28A C 0.3697(3) 0.24033(5) 0.6934(2) 0.0207(4) Uani 1 1 d . . .
H28A H 0.3988 0.2245 0.6274 0.025 Uiso 1 1 calc R . .
C29A C 0.4739(3) 0.27558(5) 0.7717(2) 0.0189(3) Uani 1 1 d . . .
H29A H 0.5771 0.2794 0.7745 0.023 Uiso 1 1 calc R . .
C30A C 0.4371(3) 0.28414(5) 0.88447(18) 0.0195(4) Uani 1 1 d . . .
H30A H 0.5122 0.2946 0.9740 0.023 Uiso 1 1 calc R . .
Rh1B Rh 0.306510(17) 0.724648(3) 0.515926(12) 0.01327(3) Uani 1 1 d . . .
S1B S 0.32239(6) 0.648357(11) 0.33703(4) 0.01387(8) Uani 1 1 d . . .
P1B P 0.24173(6) 0.662678(12) 0.56962(4) 0.01326(8) Uani 1 1 d . . .
C1B C 0.3703(2) 0.64449(5) 0.73696(16) 0.0171(3) Uani 1 1 d . . .
N1B N 0.2646(2) 0.62955(4) 0.45372(14) 0.0143(3) Uani 1 1 d . . .
O1B O 0.38796(18) 0.69036(4) 0.39147(13) 0.0170(3) Uani 1 1 d . . .
C2B C 0.3314(3) 0.61499(5) 0.81157(18) 0.0214(4) Uani 1 1 d . . .
H2B H 0.2326 0.6041 0.7773 0.026 Uiso 1 1 calc R . .
C3B C 0.4392(3) 0.60160(6) 0.93751(19) 0.0286(5) Uani 1 1 d . . .
H3B H 0.4135 0.5812 0.9879 0.034 Uiso 1 1 calc R . .
C4B C 0.5817(3) 0.61770(7) 0.9888(2) 0.0305(5) Uani 1 1 d . . .
H4B H 0.6535 0.6085 1.0748 0.037 Uiso 1 1 calc R . .
C5B C 0.6217(3) 0.64753(7) 0.9152(2) 0.0272(4) Uani 1 1 d . . .
H5B H 0.7202 0.6587 0.9507 0.033 Uiso 1 1 calc R . .
C6B C 0.5152(3) 0.66066(6) 0.78923(19) 0.0216(4) Uani 1 1 d . . .
H6B H 0.5416 0.6808 0.7385 0.026 Uiso 1 1 calc R . .
C7B C 0.0563(2) 0.65245(5) 0.56292(16) 0.0148(3) Uani 1 1 d . . .
C8B C -0.0507(2) 0.62916(5) 0.45916(17) 0.0168(3) Uani 1 1 d . . .
H8B H -0.0252 0.6169 0.3904 0.020 Uiso 1 1 calc R . .
C9B C -0.1938(3) 0.62383(6) 0.4560(2) 0.0213(4) Uani 1 1 d . . .
H9B H -0.2653 0.6077 0.3860 0.026 Uiso 1 1 calc R . .
C10B C -0.2324(3) 0.64215(6) 0.5554(2) 0.0245(4) Uani 1 1 d . . .
H10B H -0.3305 0.6386 0.5530 0.029 Uiso 1 1 calc R . .
C11B C -0.1275(3) 0.66564(7) 0.6584(2) 0.0278(5) Uani 1 1 d . . .
H11B H -0.1541 0.6783 0.7259 0.033 Uiso 1 1 calc R . .
C12B C 0.0160(3) 0.67064(6) 0.6624(2) 0.0229(4) Uani 1 1 d . . .
H12B H 0.0875 0.6865 0.7333 0.027 Uiso 1 1 calc R . .
C13B C 0.2606(2) 0.58381(5) 0.46696(17) 0.0158(3) Uani 1 1 d . . .
H13A H 0.2467 0.5773 0.5520 0.019 Uiso 1 1 calc R . .
H13B H 0.1720 0.5732 0.3888 0.019 Uiso 1 1 calc R . .
C14B C 0.3977(2) 0.56171(5) 0.47073(17) 0.0160(3) Uani 1 1 d . . .
C15B C 0.5217(3) 0.55546(6) 0.59427(19) 0.0209(4) Uani 1 1 d . . .
H15B H 0.5214 0.5661 0.6773 0.025 Uiso 1 1 calc R . .
C16B C 0.6461(3) 0.53365(7) 0.5960(2) 0.0271(4) Uani 1 1 d . . .
H16B H 0.7288 0.5287 0.6806 0.032 Uiso 1 1 calc R . .
C17B C 0.6490(3) 0.51923(6) 0.4744(2) 0.0267(4) Uani 1 1 d . . .
H17B H 0.7349 0.5051 0.4757 0.032 Uiso 1 1 calc R . .
C18B C 0.5272(3) 0.52539(6) 0.3514(2) 0.0249(4) Uani 1 1 d . . .
H18B H 0.5297 0.5157 0.2683 0.030 Uiso 1 1 calc R . .
C19B C 0.4010(3) 0.54588(6) 0.34979(19) 0.0216(4) Uani 1 1 d . . .
H19B H 0.3161 0.5492 0.2656 0.026 Uiso 1 1 calc R . .
C20B C 0.1526(2) 0.66036(5) 0.18276(16) 0.0161(3) Uani 1 1 d . . .
C21B C 0.0536(3) 0.69165(6) 0.21176(19) 0.0198(4) Uani 1 1 d . . .
H21A H 0.1133 0.7159 0.2547 0.030 Uiso 1 1 calc R . .
H21B H 0.0123 0.6797 0.2738 0.030 Uiso 1 1 calc R . .
H21C H -0.0288 0.6995 0.1256 0.030 Uiso 1 1 calc R . .
C22B C 0.2195(3) 0.67706(6) 0.08542(19) 0.0240(4) Uani 1 1 d . . .
H22A H 0.1386 0.6831 -0.0037 0.036 Uiso 1 1 calc R . .
H22B H 0.2873 0.6566 0.0737 0.036 Uiso 1 1 calc R . .
H22C H 0.2757 0.7022 0.1239 0.036 Uiso 1 1 calc R . .
C23B C 0.0707(3) 0.62025(6) 0.12797(19) 0.0226(4) Uani 1 1 d . . .
H23A H 0.0274 0.6100 0.1907 0.034 Uiso 1 1 calc R . .
H23B H 0.1417 0.6001 0.1207 0.034 Uiso 1 1 calc R . .
H23C H -0.0096 0.6248 0.0373 0.034 Uiso 1 1 calc R . .
C24B C 0.3365(3) 0.75827(5) 0.69231(18) 0.0176(3) Uani 1 1 d . . .
H24B H 0.3569 0.7452 0.7829 0.021 Uiso 1 1 calc R . .
C25B C 0.1903(2) 0.76464(5) 0.59220(18) 0.0174(3) Uani 1 1 d . . .
H25B H 0.0982 0.7563 0.6058 0.021 Uiso 1 1 calc R . .
C26B C 0.1977(3) 0.80384(5) 0.5139(2) 0.0196(4) Uani 1 1 d . . .
H26B H 0.1008 0.8179 0.4584 0.024 Uiso 1 1 calc R . .
C27B C 0.2938(3) 0.78865(5) 0.43751(19) 0.0194(4) Uani 1 1 d . . .
H27C H 0.2715 0.7954 0.3396 0.023 Uiso 1 1 calc R . .
C28B C 0.4369(3) 0.78217(5) 0.5352(2) 0.0193(4) Uani 1 1 d . . .
H28B H 0.5293 0.7839 0.5158 0.023 Uiso 1 1 calc R . .
C29B C 0.4331(3) 0.79339(6) 0.6744(2) 0.0200(4) Uani 1 1 d . . .
H29B H 0.5315 0.7988 0.7525 0.024 Uiso 1 1 calc R . .
C30B C 0.3175(3) 0.82865(5) 0.6303(2) 0.0241(4) Uani 1 1 d . . .
H30B H 0.3532 0.8529 0.5964 0.029 Uiso 1 1 calc R . .
H30C H 0.2839 0.8367 0.7032 0.029 Uiso 1 1 calc R . .
S1SB S 0.86755(7) 0.771239(14) 0.83238(4) 0.01998(9) Uani 1 1 d . . .
O1SB O 0.8427(2) 0.73283(4) 0.88668(15) 0.0241(3) Uani 1 1 d . . .
F1SB F 1.12596(17) 0.77635(4) 1.04618(11) 0.0228(3) Uani 1 1 d . . .
C1SB C 1.0718(3) 0.77599(5) 0.90838(17) 0.0184(4) Uani 1 1 d . . .
O2SB O 0.8205(2) 0.80708(5) 0.88423(17) 0.0285(4) Uani 1 1 d . . .
F2SB F 1.13966(18) 0.74534(4) 0.87236(13) 0.0235(3) Uani 1 1 d . . .
O3SB O 0.8332(2) 0.77136(5) 0.68709(14) 0.0292(4) Uani 1 1 d . . .
F3SB F 1.11758(19) 0.81072(4) 0.86991(13) 0.0265(3) Uani 1 1 d . . .
S1SA S 0.89959(7) 0.521644(13) 1.20571(5) 0.01914(9) Uani 1 1 d . . .
C1SA C 0.7739(3) 0.51569(6) 1.0250(2) 0.0223(4) Uani 1 1 d . . .
F1SA F 0.63051(19) 0.51238(5) 1.00860(14) 0.0293(3) Uani 1 1 d . . .
O1SA O 0.8733(2) 0.48543(5) 1.27067(18) 0.0297(4) Uani 1 1 d . . .
F2SA F 0.8072(2) 0.48236(4) 0.96999(16) 0.0349(4) Uani 1 1 d . . .
O2SA O 0.8475(2) 0.55929(5) 1.24231(16) 0.0258(3) Uani 1 1 d . . .
F3SA F 0.7834(2) 0.54792(4) 0.95173(13) 0.0303(3) Uani 1 1 d . . .
O3SA O 1.0448(2) 0.52392(5) 1.19994(19) 0.0276(3) Uani 1 1 d . . .
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'
F F 0.0171 0.0103 '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'
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
C29A Rh1A C30A 39.29(7) . . ?
C29A Rh1A O1A 166.55(6) . . ?
C30A Rh1A O1A 150.70(6) . . ?
C29A Rh1A C25A 79.09(8) . . ?
C30A Rh1A C25A 66.58(8) . . ?
O1A Rh1A C25A 97.84(7) . . ?
C29A Rh1A C24A 66.38(8) . . ?
C30A Rh1A C24A 78.91(8) . . ?
O1A Rh1A C24A 103.44(7) . . ?
C25A Rh1A C24A 36.09(6) . . ?
C29A Rh1A P1A 104.79(6) . . ?
C30A Rh1A P1A 100.07(6) . . ?
O1A Rh1A P1A 83.68(4) . . ?
C25A Rh1A P1A 154.44(5) . . ?
C24A Rh1A P1A 167.36(5) . . ?
O1A S1A N1A 105.32(8) . . ?
O1A S1A C20A 104.69(7) . . ?
N1A S1A C20A 104.61(8) . . ?
N1A P1A C7A 105.19(8) . . ?
N1A P1A C1A 103.75(7) . . ?
C7A P1A C1A 105.54(9) . . ?
N1A P1A Rh1A 105.20(6) . . ?
C7A P1A Rh1A 125.71(5) . . ?
C1A P1A Rh1A 109.43(6) . . ?
C13A N1A S1A 117.88(13) . . ?
C13A N1A P1A 122.52(13) . . ?
S1A N1A P1A 118.11(8) . . ?
C2A C1A C6A 119.91(14) . . ?
C2A C1A P1A 124.88(13) . . ?
C6A C1A P1A 115.06(14) . . ?
S1A O1A Rh1A 120.23(9) . . ?
C1A C2A C3A 119.59(17) . . ?
C4A C3A C2A 120.20(18) . . ?
C3A C4A C5A 120.45(15) . . ?
C6A C5A C4A 119.72(17) . . ?
C5A C6A C1A 120.10(17) . . ?
C8A C7A C12A 118.93(18) . . ?
C8A C7A P1A 124.29(16) . . ?
C12A C7A P1A 116.76(12) . . ?
C7A C8A C9A 120.32(19) . . ?
C10A C9A C8A 120.09(18) . . ?
C9A C10A C11A 120.3(2) . . ?
C12A C11A C10A 119.5(2) . . ?
C11A C12A C7A 120.91(17) . . ?
N1A C13A C14A 115.60(15) . . ?
C15A C14A C19A 119.18(17) . . ?
C15A C14A C13A 119.91(15) . . ?
C19A C14A C13A 120.77(18) . . ?
C14A C15A C16A 120.53(19) . . ?
C15A C16A C17A 119.6(2) . . ?
C18A C17A C16A 120.2(2) . . ?
C17A C18A C19A 120.2(2) . . ?
C18A C19A C14A 120.2(2) . . ?
C22A C20A C21A 113.79(17) . . ?
C22A C20A C23A 111.86(15) . . ?
C21A C20A C23A 110.90(16) . . ?
C22A C20A S1A 111.30(11) . . ?
C21A C20A S1A 105.26(10) . . ?
C23A C20A S1A 103.01(13) . . ?
C25A C24A C28A 106.79(17) . . ?
C25A C24A Rh1A 71.71(10) . . ?
C28A C24A Rh1A 93.68(12) . . ?
C24A C25A C26A 106.72(17) . . ?
C24A C25A Rh1A 72.19(10) . . ?
C26A C25A Rh1A 93.63(13) . . ?
C30A C26A C25A 100.92(14) . . ?
C30A C26A C27A 100.30(16) . . ?
C25A C26A C27A 100.29(16) . . ?
C26A C27A C28A 94.09(13) . . ?
C24A C28A C29A 101.06(14) . . ?
C24A C28A C27A 100.51(15) . . ?
C29A C28A C27A 100.64(15) . . ?
C30A C29A C28A 105.83(16) . . ?
C30A C29A Rh1A 70.38(11) . . ?
C28A C29A Rh1A 98.78(14) . . ?
C29A C30A C26A 106.40(16) . . ?
C29A C30A Rh1A 70.33(10) . . ?
C26A C30A Rh1A 98.71(13) . . ?
C24B Rh1B C25B 39.36(8) . . ?
C24B Rh1B O1B 152.51(8) . . ?
C25B Rh1B O1B 165.75(7) . . ?
C24B Rh1B C28B 66.75(7) . . ?
C25B Rh1B C28B 79.25(7) . . ?
O1B Rh1B C28B 99.34(6) . . ?
C24B Rh1B C27B 79.09(6) . . ?
C25B Rh1B C27B 66.62(7) . . ?
O1B Rh1B C27B 103.89(6) . . ?
C28B Rh1B C27B 35.95(8) . . ?
C24B Rh1B P1B 101.33(5) . . ?
C25B Rh1B P1B 102.29(5) . . ?
O1B Rh1B P1B 84.03(3) . . ?
C28B Rh1B P1B 159.60(6) . . ?
C27B Rh1B P1B 162.26(6) . . ?
O1B S1B N1B 105.20(7) . . ?
O1B S1B C20B 103.60(8) . . ?
N1B S1B C20B 106.99(9) . . ?
N1B P1B C7B 105.59(8) . . ?
N1B P1B C1B 105.12(8) . . ?
C7B P1B C1B 105.18(8) . . ?
N1B P1B Rh1B 104.66(5) . . ?
C7B P1B Rh1B 122.02(6) . . ?
C1B P1B Rh1B 112.87(6) . . ?
C2B C1B C6B 119.75(18) . . ?
C2B C1B P1B 123.17(17) . . ?
C6B C1B P1B 117.07(13) . . ?
C13B N1B S1B 117.67(10) . . ?
C13B N1B P1B 122.85(10) . . ?
S1B N1B P1B 118.65(8) . . ?
S1B O1B Rh1B 120.64(8) . . ?
C1B C2B C3B 119.4(2) . . ?
C4B C3B C2B 120.6(2) . . ?
C3B C4B C5B 120.4(2) . . ?
C6B C5B C4B 119.2(2) . . ?
C5B C6B C1B 120.6(2) . . ?
C8B C7B C12B 118.89(18) . . ?
C8B C7B P1B 123.07(12) . . ?
C12B C7B P1B 117.94(15) . . ?
C9B C8B C7B 120.49(15) . . ?
C8B C9B C10B 120.02(19) . . ?
C11B C10B C9B 120.0(2) . . ?
C12B C11B C10B 120.02(17) . . ?
C11B C12B C7B 120.56(19) . . ?
C14B C13B N1B 115.11(15) . . ?
C15B C14B C19B 118.82(19) . . ?
C15B C14B C13B 121.13(15) . . ?
C19B C14B C13B 120.02(18) . . ?
C16B C15B C14B 120.19(18) . . ?
C17B C16B C15B 120.1(2) . . ?
C18B C17B C16B 120.3(2) . . ?
C17B C18B C19B 119.81(18) . . ?
C18B C19B C14B 120.8(2) . . ?
C21B C20B C23B 112.41(18) . . ?
C21B C20B C22B 111.98(14) . . ?
C23B C20B C22B 110.29(14) . . ?
C21B C20B S1B 112.11(12) . . ?
C23B C20B S1B 107.55(12) . . ?
C22B C20B S1B 101.94(15) . . ?
C25B C24B C29B 106.04(16) . . ?
C25B C24B Rh1B 70.34(9) . . ?
C29B C24B Rh1B 98.81(10) . . ?
C24B C25B C26B 106.19(17) . . ?
C24B C25B Rh1B 70.30(10) . . ?
C26B C25B Rh1B 99.16(11) . . ?
C27B C26B C25B 100.74(13) . . ?
C27B C26B C30B 99.81(17) . . ?
C25B C26B C30B 100.69(16) . . ?
C28B C27B C26B 107.01(16) . . ?
C28B C27B Rh1B 71.76(10) . . ?
C26B C27B Rh1B 93.35(10) . . ?
C27B C28B C29B 106.41(17) . . ?
C27B C28B Rh1B 72.29(11) . . ?
C29B C28B Rh1B 93.26(11) . . ?
C24B C29B C28B 101.07(13) . . ?
C24B C29B C30B 100.85(17) . . ?
C28B C29B C30B 100.37(16) . . ?
C29B C30B C26B 94.28(13) . . ?
O1SB S1SB O2SB 115.03(10) . . ?
O1SB S1SB O3SB 115.28(9) . . ?
O2SB S1SB O3SB 115.69(10) . . ?
O1SB S1SB C1SB 102.91(10) . . ?
O2SB S1SB C1SB 102.48(10) . . ?
O3SB S1SB C1SB 102.60(10) . . ?
F2SB C1SB F3SB 106.49(15) . . ?
F2SB C1SB F1SB 107.23(15) . . ?
F3SB C1SB F1SB 107.01(15) . . ?
F2SB C1SB S1SB 112.53(14) . . ?
F3SB C1SB S1SB 111.83(14) . . ?
F1SB C1SB S1SB 111.42(13) . . ?
O3SA S1SA O2SA 115.08(11) . . ?
O3SA S1SA O1SA 115.31(11) . . ?
O2SA S1SA O1SA 114.91(11) . . ?
O3SA S1SA C1SA 102.36(11) . . ?
O2SA S1SA C1SA 102.46(10) . . ?
O1SA S1SA C1SA 104.15(10) . . ?
F3SA C1SA F2SA 107.56(16) . . ?
F3SA C1SA F1SA 107.47(19) . . ?
F2SA C1SA F1SA 107.46(17) . . ?
F3SA C1SA S1SA 110.88(14) . . ?
F2SA C1SA S1SA 111.71(17) . . ?
F1SA C1SA S1SA 111.56(13) . . ?
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
Rh1A C29A 2.098(2) . ?
Rh1A C30A 2.0991(18) . ?
Rh1A O1A 2.1260(15) . ?
Rh1A C25A 2.2242(18) . ?
Rh1A C24A 2.2303(17) . ?
Rh1A P1A 2.2618(5) . ?
S1A O1A 1.5251(12) . ?
S1A N1A 1.6794(18) . ?
S1A C20A 1.8369(15) . ?
P1A N1A 1.7174(16) . ?
P1A C7A 1.806(2) . ?
P1A C1A 1.8132(14) . ?
N1A C13A 1.497(2) . ?
C1A C2A 1.392(3) . ?
C1A C6A 1.403(3) . ?
C2A C3A 1.400(2) . ?
C3A C4A 1.383(3) . ?
C4A C5A 1.394(3) . ?
C5A C6A 1.388(2) . ?
C7A C8A 1.393(2) . ?
C7A C12A 1.398(3) . ?
C8A C9A 1.397(3) . ?
C9A C10A 1.383(4) . ?
C10A C11A 1.393(3) . ?
C11A C12A 1.390(3) . ?
C13A C14A 1.512(3) . ?
C14A C15A 1.393(3) . ?
C14A C19A 1.396(2) . ?
C15A C16A 1.393(3) . ?
C16A C17A 1.394(4) . ?
C17A C18A 1.380(4) . ?
C18A C19A 1.393(3) . ?
C20A C22A 1.525(3) . ?
C20A C21A 1.529(2) . ?
C20A C23A 1.533(3) . ?
C24A C25A 1.380(2) . ?
C24A C28A 1.533(3) . ?
C25A C26A 1.540(3) . ?
C26A C30A 1.539(3) . ?
C26A C27A 1.548(3) . ?
C27A C28A 1.549(2) . ?
C28A C29A 1.540(3) . ?
C29A C30A 1.411(2) . ?
Rh1B C24B 2.0926(15) . ?
Rh1B C25B 2.0931(17) . ?
Rh1B O1B 2.1163(12) . ?
Rh1B C28B 2.2308(18) . ?
Rh1B C27B 2.2374(17) . ?
Rh1B P1B 2.2616(4) . ?
S1B O1B 1.5269(13) . ?
S1B N1B 1.6720(13) . ?
S1B C20B 1.845(2) . ?
P1B N1B 1.7217(13) . ?
P1B C7B 1.807(2) . ?
P1B C1B 1.8179(19) . ?
C1B C2B 1.394(2) . ?
C1B C6B 1.395(3) . ?
N1B C13B 1.5037(19) . ?
C2B C3B 1.400(3) . ?
C3B C4B 1.374(4) . ?
C4B C5B 1.400(4) . ?
C5B C6B 1.393(3) . ?
C7B C8B 1.400(3) . ?
C7B C12B 1.401(2) . ?
C8B C9B 1.389(3) . ?
C9B C10B 1.392(3) . ?
C10B C11B 1.391(3) . ?
C11B C12B 1.388(3) . ?
C13B C14B 1.502(3) . ?
C14B C15B 1.398(3) . ?
C14B C19B 1.400(2) . ?
C15B C16B 1.397(3) . ?
C16B C17B 1.388(3) . ?
C17B C18B 1.384(4) . ?
C18B C19B 1.392(3) . ?
C20B C21B 1.518(3) . ?
C20B C23B 1.523(3) . ?
C20B C22B 1.528(2) . ?
C24B C25B 1.410(3) . ?
C24B C29B 1.542(3) . ?
C25B C26B 1.546(2) . ?
C26B C27B 1.546(3) . ?
C26B C30B 1.547(3) . ?
C27B C28B 1.379(3) . ?
C28B C29B 1.542(2) . ?
C29B C30B 1.546(3) . ?
S1SB O1SB 1.4424(15) . ?
S1SB O2SB 1.4452(15) . ?
S1SB O3SB 1.4454(14) . ?
S1SB C1SB 1.826(2) . ?
F1SB C1SB 1.3455(19) . ?
C1SB F2SB 1.338(2) . ?
C1SB F3SB 1.342(2) . ?
S1SA O3SA 1.439(2) . ?
S1SA O2SA 1.4421(16) . ?
S1SA O1SA 1.4446(15) . ?
S1SA C1SA 1.830(2) . ?
C1SA F3SA 1.336(2) . ?
C1SA F2SA 1.337(2) . ?
C1SA F1SA 1.338(3) . ?
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
C29A Rh1A P1A N1A 157.46(7) . . . . ?
C30A Rh1A P1A N1A -162.54(7) . . . . ?
O1A Rh1A P1A N1A -11.91(6) . . . . ?
C25A Rh1A P1A N1A -106.89(14) . . . . ?
C24A Rh1A P1A N1A 113.2(2) . . . . ?
C29A Rh1A P1A C7A 35.49(9) . . . . ?
C30A Rh1A P1A C7A 75.48(9) . . . . ?
O1A Rh1A P1A C7A -133.88(8) . . . . ?
C25A Rh1A P1A C7A 131.14(15) . . . . ?
C24A Rh1A P1A C7A -8.8(3) . . . . ?
C29A Rh1A P1A C1A -91.63(9) . . . . ?
C30A Rh1A P1A C1A -51.63(9) . . . . ?
O1A Rh1A P1A C1A 99.00(8) . . . . ?
C25A Rh1A P1A C1A 4.02(15) . . . . ?
C24A Rh1A P1A C1A -135.9(3) . . . . ?
O1A S1A N1A C13A -148.50(11) . . . . ?
C20A S1A N1A C13A 101.44(11) . . . . ?
O1A S1A N1A P1A 17.89(10) . . . . ?
C20A S1A N1A P1A -92.17(9) . . . . ?
C7A P1A N1A C13A -60.18(13) . . . . ?
C1A P1A N1A C13A 50.44(14) . . . . ?
Rh1A P1A N1A C13A 165.36(11) . . . . ?
C7A P1A N1A S1A 134.09(9) . . . . ?
C1A P1A N1A S1A -115.28(9) . . . . ?
Rh1A P1A N1A S1A -0.36(9) . . . . ?
N1A P1A C1A C2A -94.88(17) . . . . ?
C7A P1A C1A C2A 15.48(18) . . . . ?
Rh1A P1A C1A C2A 153.26(14) . . . . ?
N1A P1A C1A C6A 80.56(14) . . . . ?
C7A P1A C1A C6A -169.07(13) . . . . ?
Rh1A P1A C1A C6A -31.30(15) . . . . ?
N1A S1A O1A Rh1A -30.38(9) . . . . ?
C20A S1A O1A Rh1A 79.63(10) . . . . ?
C29A Rh1A O1A S1A -103.4(3) . . . . ?
C30A Rh1A O1A S1A 125.90(13) . . . . ?
C25A Rh1A O1A S1A -179.17(8) . . . . ?
C24A Rh1A O1A S1A -142.85(8) . . . . ?
P1A Rh1A O1A S1A 26.55(7) . . . . ?
C6A C1A C2A C3A -1.6(3) . . . . ?
P1A C1A C2A C3A 173.65(14) . . . . ?
C1A C2A C3A C4A 0.0(3) . . . . ?
C2A C3A C4A C5A 1.2(3) . . . . ?
C3A C4A C5A C6A -0.7(3) . . . . ?
C4A C5A C6A C1A -1.0(3) . . . . ?
C2A C1A C6A C5A 2.1(3) . . . . ?
P1A C1A C6A C5A -173.59(15) . . . . ?
N1A P1A C7A C8A -12.27(16) . . . . ?
C1A P1A C7A C8A -121.61(15) . . . . ?
Rh1A P1A C7A C8A 109.71(14) . . . . ?
N1A P1A C7A C12A 169.26(13) . . . . ?
C1A P1A C7A C12A 59.93(15) . . . . ?
Rh1A P1A C7A C12A -68.76(15) . . . . ?
C12A C7A C8A C9A -1.3(3) . . . . ?
P1A C7A C8A C9A -179.72(16) . . . . ?
C7A C8A C9A C10A 0.6(3) . . . . ?
C8A C9A C10A C11A 0.4(4) . . . . ?
C9A C10A C11A C12A -0.6(4) . . . . ?
C10A C11A C12A C7A -0.2(3) . . . . ?
C8A C7A C12A C11A 1.1(3) . . . . ?
P1A C7A C12A C11A 179.67(16) . . . . ?
S1A N1A C13A C14A 48.68(17) . . . . ?
P1A N1A C13A C14A -117.07(16) . . . . ?
N1A C13A C14A C15A -98.30(19) . . . . ?
N1A C13A C14A C19A 86.0(2) . . . . ?
C19A C14A C15A C16A 0.5(3) . . . . ?
C13A C14A C15A C16A -175.26(19) . . . . ?
C14A C15A C16A C17A 0.0(3) . . . . ?
C15A C16A C17A C18A -1.3(4) . . . . ?
C16A C17A C18A C19A 2.1(4) . . . . ?
C17A C18A C19A C14A -1.6(4) . . . . ?
C15A C14A C19A C18A 0.3(3) . . . . ?
C13A C14A C19A C18A 176.0(2) . . . . ?
O1A S1A C20A C22A -52.95(16) . . . . ?
N1A S1A C20A C22A 57.57(15) . . . . ?
O1A S1A C20A C21A -176.67(14) . . . . ?
N1A S1A C20A C21A -66.15(15) . . . . ?
O1A S1A C20A C23A 67.06(14) . . . . ?
N1A S1A C20A C23A 177.58(12) . . . . ?
C29A Rh1A C24A C25A 104.43(14) . . . . ?
C30A Rh1A C24A C25A 65.24(13) . . . . ?
O1A Rh1A C24A C25A -84.85(13) . . . . ?
P1A Rh1A C24A C25A 151.9(2) . . . . ?
C29A Rh1A C24A C28A -2.04(9) . . . . ?
C30A Rh1A C24A C28A -41.23(10) . . . . ?
O1A Rh1A C24A C28A 168.68(9) . . . . ?
C25A Rh1A C24A C28A -106.47(16) . . . . ?
P1A Rh1A C24A C28A 45.4(3) . . . . ?
C28A C24A C25A C26A -0.12(19) . . . . ?
Rh1A C24A C25A C26A -88.45(13) . . . . ?
C28A C24A C25A Rh1A 88.33(13) . . . . ?
C29A Rh1A C25A C24A -64.64(13) . . . . ?
C30A Rh1A C25A C24A -103.79(14) . . . . ?
O1A Rh1A C25A C24A 102.09(13) . . . . ?
P1A Rh1A C25A C24A -166.16(11) . . . . ?
C29A Rh1A C25A C26A 41.76(11) . . . . ?
C30A Rh1A C25A C26A 2.61(10) . . . . ?
O1A Rh1A C25A C26A -151.51(10) . . . . ?
C24A Rh1A C25A C26A 106.41(17) . . . . ?
P1A Rh1A C25A C26A -59.75(18) . . . . ?
C24A C25A C26A C30A 69.16(17) . . . . ?
Rh1A C25A C26A C30A -3.33(12) . . . . ?
C24A C25A C26A C27A -33.56(18) . . . . ?
Rh1A C25A C26A C27A -106.05(12) . . . . ?
C30A C26A C27A C28A -52.19(19) . . . . ?
C25A C26A C27A C28A 51.03(18) . . . . ?
C25A C24A C28A C29A -69.41(16) . . . . ?
Rh1A C24A C28A C29A 2.60(12) . . . . ?
C25A C24A C28A C27A 33.76(18) . . . . ?
Rh1A C24A C28A C27A 105.76(12) . . . . ?
C26A C27A C28A C24A -51.27(18) . . . . ?
C26A C27A C28A C29A 52.23(19) . . . . ?
C24A C28A C29A C30A 69.19(17) . . . . ?
C27A C28A C29A C30A -33.9(2) . . . . ?
C24A C28A C29A Rh1A -2.79(13) . . . . ?
C27A C28A C29A Rh1A -105.84(13) . . . . ?
O1A Rh1A C29A C30A -144.2(2) . . . . ?
C25A Rh1A C29A C30A -66.19(12) . . . . ?
C24A Rh1A C29A C30A -101.71(13) . . . . ?
P1A Rh1A C29A C30A 87.88(12) . . . . ?
C30A Rh1A C29A C28A 103.76(15) . . . . ?
O1A Rh1A C29A C28A -40.4(3) . . . . ?
C25A Rh1A C29A C28A 37.57(10) . . . . ?
C24A Rh1A C29A C28A 2.05(9) . . . . ?
P1A Rh1A C29A C28A -168.36(8) . . . . ?
C28A C29A C30A C26A -0.3(2) . . . . ?
Rh1A C29A C30A C26A 93.58(14) . . . . ?
C28A C29A C30A Rh1A -93.86(14) . . . . ?
C25A C26A C30A C29A -68.38(18) . . . . ?
C27A C26A C30A C29A 34.3(2) . . . . ?
C25A C26A C30A Rh1A 3.57(13) . . . . ?
C27A C26A C30A Rh1A 106.27(14) . . . . ?
O1A Rh1A C30A C29A 163.84(12) . . . . ?
C25A Rh1A C30A C29A 101.76(13) . . . . ?
C24A Rh1A C30A C29A 66.09(13) . . . . ?
P1A Rh1A C30A C29A -101.09(12) . . . . ?
C29A Rh1A C30A C26A -104.40(16) . . . . ?
O1A Rh1A C30A C26A 59.44(17) . . . . ?
C25A Rh1A C30A C26A -2.64(10) . . . . ?
C24A Rh1A C30A C26A -38.30(11) . . . . ?
P1A Rh1A C30A C26A 154.51(9) . . . . ?
C24B Rh1B P1B N1B -164.02(9) . . . . ?
C25B Rh1B P1B N1B 155.75(9) . . . . ?
O1B Rh1B P1B N1B -11.31(8) . . . . ?
C28B Rh1B P1B N1B -112.06(15) . . . . ?
C27B Rh1B P1B N1B 106.40(16) . . . . ?
C24B Rh1B P1B C7B 76.55(9) . . . . ?
C25B Rh1B P1B C7B 36.32(8) . . . . ?
O1B Rh1B P1B C7B -130.74(7) . . . . ?
C28B Rh1B P1B C7B 128.51(15) . . . . ?
C27B Rh1B P1B C7B -13.04(16) . . . . ?
C24B Rh1B P1B C1B -50.24(9) . . . . ?
C25B Rh1B P1B C1B -90.48(9) . . . . ?
O1B Rh1B P1B C1B 102.47(8) . . . . ?
C28B Rh1B P1B C1B 1.71(16) . . . . ?
C27B Rh1B P1B C1B -139.83(16) . . . . ?
N1B P1B C1B C2B -88.09(16) . . . . ?
C7B P1B C1B C2B 23.12(17) . . . . ?
Rh1B P1B C1B C2B 158.42(13) . . . . ?
N1B P1B C1B C6B 90.37(15) . . . . ?
C7B P1B C1B C6B -158.42(14) . . . . ?
Rh1B P1B C1B C6B -23.13(16) . . . . ?
O1B S1B N1B C13B -152.68(15) . . . . ?
C20B S1B N1B C13B 97.57(15) . . . . ?
O1B S1B N1B P1B 17.19(14) . . . . ?
C20B S1B N1B P1B -92.55(12) . . . . ?
C7B P1B N1B C13B -61.26(17) . . . . ?
C1B P1B N1B C13B 49.66(18) . . . . ?
Rh1B P1B N1B C13B 168.79(14) . . . . ?
C7B P1B N1B S1B 129.42(11) . . . . ?
C1B P1B N1B S1B -119.67(12) . . . . ?
Rh1B P1B N1B S1B -0.53(12) . . . . ?
N1B S1B O1B Rh1B -29.12(12) . . . . ?
C20B S1B O1B Rh1B 83.05(10) . . . . ?
C24B Rh1B O1B S1B 128.56(13) . . . . ?
C25B Rh1B O1B S1B -91.8(3) . . . . ?
C28B Rh1B O1B S1B -174.86(10) . . . . ?
C27B Rh1B O1B S1B -138.41(10) . . . . ?
P1B Rh1B O1B S1B 25.46(9) . . . . ?
C6B C1B C2B C3B -0.8(3) . . . . ?
P1B C1B C2B C3B 177.61(15) . . . . ?
C1B C2B C3B C4B 1.0(3) . . . . ?
C2B C3B C4B C5B -0.6(3) . . . . ?
C3B C4B C5B C6B -0.1(3) . . . . ?
C4B C5B C6B C1B 0.2(3) . . . . ?
C2B C1B C6B C5B 0.2(3) . . . . ?
P1B C1B C6B C5B -178.33(16) . . . . ?
N1B P1B C7B C8B -13.29(16) . . . . ?
C1B P1B C7B C8B -124.16(15) . . . . ?
Rh1B P1B C7B C8B 105.69(14) . . . . ?
N1B P1B C7B C12B 170.27(14) . . . . ?
C1B P1B C7B C12B 59.39(16) . . . . ?
Rh1B P1B C7B C12B -70.75(16) . . . . ?
C12B C7B C8B C9B -0.7(3) . . . . ?
P1B C7B C8B C9B -177.14(14) . . . . ?
C7B C8B C9B C10B 0.9(3) . . . . ?
C8B C9B C10B C11B -0.3(3) . . . . ?
C9B C10B C11B C12B -0.4(4) . . . . ?
C10B C11B C12B C7B 0.5(3) . . . . ?
C8B C7B C12B C11B 0.1(3) . . . . ?
P1B C7B C12B C11B 176.65(17) . . . . ?
S1B N1B C13B C14B 45.8(2) . . . . ?
P1B N1B C13B C14B -123.61(15) . . . . ?
N1B C13B C14B C15B 87.72(19) . . . . ?
N1B C13B C14B C19B -94.24(19) . . . . ?
C19B C14B C15B C16B -0.2(3) . . . . ?
C13B C14B C15B C16B 177.90(18) . . . . ?
C14B C15B C16B C17B 2.1(3) . . . . ?
C15B C16B C17B C18B -1.8(3) . . . . ?
C16B C17B C18B C19B -0.4(3) . . . . ?
C17B C18B C19B C14B 2.3(3) . . . . ?
C15B C14B C19B C18B -2.0(3) . . . . ?
C13B C14B C19B C18B 179.88(18) . . . . ?
O1B S1B C20B C21B -50.80(14) . . . . ?
N1B S1B C20B C21B 60.05(14) . . . . ?
O1B S1B C20B C23B -174.86(12) . . . . ?
N1B S1B C20B C23B -64.01(13) . . . . ?
O1B S1B C20B C22B 69.12(12) . . . . ?
N1B S1B C20B C22B 179.97(10) . . . . ?
O1B Rh1B C24B C25B 165.45(11) . . . . ?
C28B Rh1B C24B C25B 101.75(12) . . . . ?
C27B Rh1B C24B C25B 66.28(11) . . . . ?
P1B Rh1B C24B C25B -95.64(9) . . . . ?
C25B Rh1B C24B C29B -103.98(16) . . . . ?
O1B Rh1B C24B C29B 61.47(19) . . . . ?
C28B Rh1B C24B C29B -2.23(13) . . . . ?
C27B Rh1B C24B C29B -37.70(14) . . . . ?
P1B Rh1B C24B C29B 160.38(12) . . . . ?
C29B C24B C25B C26B -0.31(16) . . . . ?
Rh1B C24B C25B C26B -94.13(11) . . . . ?
C29B C24B C25B Rh1B 93.82(11) . . . . ?
O1B Rh1B C25B C24B -151.9(2) . . . . ?
C28B Rh1B C25B C24B -66.29(11) . . . . ?
C27B Rh1B C25B C24B -101.65(12) . . . . ?
P1B Rh1B C25B C24B 92.94(10) . . . . ?
C24B Rh1B C25B C26B 104.03(17) . . . . ?
O1B Rh1B C25B C26B -47.9(3) . . . . ?
C28B Rh1B C25B C26B 37.73(13) . . . . ?
C27B Rh1B C25B C26B 2.38(12) . . . . ?
P1B Rh1B C25B C26B -163.04(12) . . . . ?
C24B C25B C26B C27B 68.81(17) . . . . ?
Rh1B C25B C26B C27B -3.21(17) . . . . ?
C24B C25B C26B C30B -33.45(17) . . . . ?
Rh1B C25B C26B C30B -105.47(13) . . . . ?
C25B C26B C27B C28B -68.97(18) . . . . ?
C30B C26B C27B C28B 33.99(17) . . . . ?
C25B C26B C27B Rh1B 2.97(15) . . . . ?
C30B C26B C27B Rh1B 105.94(12) . . . . ?
C24B Rh1B C27B C28B 65.22(11) . . . . ?
C25B Rh1B C27B C28B 104.46(12) . . . . ?
O1B Rh1B C27B C28B -86.78(11) . . . . ?
P1B Rh1B C27B C28B 158.33(12) . . . . ?
C24B Rh1B C27B C26B -41.59(13) . . . . ?
C25B Rh1B C27B C26B -2.35(12) . . . . ?
O1B Rh1B C27B C26B 166.41(12) . . . . ?
C28B Rh1B C27B C26B -106.81(16) . . . . ?
P1B Rh1B C27B C26B 51.5(2) . . . . ?
C26B C27B C28B C29B -0.26(18) . . . . ?
Rh1B C27B C28B C29B -88.17(12) . . . . ?
C26B C27B C28B Rh1B 87.91(12) . . . . ?
C24B Rh1B C28B C27B -103.98(12) . . . . ?
C25B Rh1B C28B C27B -64.78(11) . . . . ?
O1B Rh1B C28B C27B 100.81(11) . . . . ?
P1B Rh1B C28B C27B -161.17(11) . . . . ?
C24B Rh1B C28B C29B 2.21(13) . . . . ?
C25B Rh1B C28B C29B 41.40(13) . . . . ?
O1B Rh1B C28B C29B -153.00(13) . . . . ?
C27B Rh1B C28B C29B 106.19(17) . . . . ?
P1B Rh1B C28B C29B -55.0(2) . . . . ?
C25B C24B C29B C28B -68.94(18) . . . . ?
Rh1B C24B C29B C28B 3.02(17) . . . . ?
C25B C24B C29B C30B 34.02(16) . . . . ?
Rh1B C24B C29B C30B 105.98(12) . . . . ?
C27B C28B C29B C24B 69.68(19) . . . . ?
Rh1B C28B C29B C24B -2.80(16) . . . . ?
C27B C28B C29B C30B -33.66(18) . . . . ?
Rh1B C28B C29B C30B -106.14(13) . . . . ?
C24B C29B C30B C26B -51.82(15) . . . . ?
C28B C29B C30B C26B 51.70(17) . . . . ?
C27B C26B C30B C29B -51.52(16) . . . . ?
C25B C26B C30B C29B 51.49(17) . . . . ?
O1SB S1SB C1SB F2SB 60.63(13) . . . . ?
O2SB S1SB C1SB F2SB -179.68(12) . . . . ?
O3SB S1SB C1SB F2SB -59.39(13) . . . . ?
O1SB S1SB C1SB F3SB -179.56(11) . . . . ?
O2SB S1SB C1SB F3SB -59.87(14) . . . . ?
O3SB S1SB C1SB F3SB 60.42(13) . . . . ?
O1SB S1SB C1SB F1SB -59.85(13) . . . . ?
O2SB S1SB C1SB F1SB 59.84(14) . . . . ?
O3SB S1SB C1SB F1SB -179.87(12) . . . . ?
O3SA S1SA C1SA F3SA -61.14(17) . . . . ?
O2SA S1SA C1SA F3SA 58.39(18) . . . . ?
O1SA S1SA C1SA F3SA 178.43(16) . . . . ?
O3SA S1SA C1SA F2SA 58.82(17) . . . . ?
O2SA S1SA C1SA F2SA 178.34(15) . . . . ?
O1SA S1SA C1SA F2SA -61.62(18) . . . . ?
O3SA S1SA C1SA F1SA 179.12(14) . . . . ?
O2SA S1SA C1SA F1SA -61.36(16) . . . . ?
O1SA S1SA C1SA F1SA 58.68(17) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168331976
