#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:49:17 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178669 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/80/4078070.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_4078070
loop_
_publ_author_name
'Dahcheh, Fatme'
'Stephan, Douglas W.'
_publ_section_title
;
 Ruthenium and Rhodium Complexes of Thioether-Alkynylborates
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              3222
_journal_paper_doi               10.1021/om300075r
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C71 H57 B F10 O0 P2 Rh S'
_chemical_formula_weight         1307.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 98.8090(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3327(4)
_cell_length_b                   21.2938(7)
_cell_length_c                   25.8710(10)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      26.47
_cell_measurement_theta_min      2.30
_cell_volume                     6169.5(4)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0556
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            53991
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.86
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.435
_exptl_absorpt_correction_T_max  0.9578
_exptl_absorpt_correction_T_min  0.9376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2676
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.598
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         13935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0438
_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)+(0.0487P)²+3.1280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                9854
_reflns_number_total             13935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300075r_si_003.cif
_cod_data_source_block           fd036_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
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)/c
_cod_database_code               4078070
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.359275(18) 0.675722(10) 0.269314(8) 0.02416(7) Uani 1 1 d .
S1 S 0.55505(6) 0.71914(3) 0.27304(3) 0.03064(16) Uani 1 1 d .
P1 P 0.42580(6) 0.59311(3) 0.22335(3) 0.02826(16) Uani 1 1 d .
P2 P 0.18771(6) 0.62678(3) 0.28150(3) 0.02627(16) Uani 1 1 d .
F2 F 0.3258(2) 0.99089(9) 0.40122(9) 0.0685(6) Uani 1 1 d .
F3 F 0.5427(2) 1.01899(9) 0.45754(8) 0.0703(6) Uani 1 1 d .
F4 F 0.70834(19) 0.92661(10) 0.47879(8) 0.0664(6) Uani 1 1 d .
F5 F 0.66895(17) 0.81326(9) 0.43632(8) 0.0574(5) Uani 1 1 d .
F1 F 0.28256(16) 0.87829(8) 0.35937(8) 0.0527(5) Uani 1 1 d .
F9 F 0.6304(2) 0.57661(11) 0.46445(10) 0.0875(8) Uani 1 1 d .
F8 F 0.4506(3) 0.57847(11) 0.52296(9) 0.0892(8) Uani 1 1 d .
F7 F 0.2894(2) 0.67453(10) 0.51037(8) 0.0670(6) Uani 1 1 d .
F6 F 0.30423(15) 0.76343(8) 0.43946(7) 0.0435(4) Uani 1 1 d .
F10 F 0.64829(17) 0.66513(10) 0.39401(8) 0.0604(6) Uani 1 1 d .
C21 C 0.5739(3) 0.77296(15) 0.32858(12) 0.0397(7) Uani 1 1 d .
H21A H 0.6495 0.7631 0.3509 0.048 Uiso 1 1 calc R
H21B H 0.5801 0.8158 0.3154 0.048 Uiso 1 1 calc R
C8 C 0.3502(2) 0.76146(12) 0.32159(11) 0.0280(6) Uani 1 1 d .
C7 C 0.2762(2) 0.76807(12) 0.28212(11) 0.0308(6) Uani 1 1 d .
C6 C 0.1805(3) 0.79513(13) 0.24490(12) 0.0361(7) Uani 1 1 d .
C5 C 0.0833(3) 0.82332(16) 0.26256(18) 0.0587(10) Uani 1 1 d .
H5A H 0.0775 0.8238 0.2984 0.070 Uiso 1 1 calc R
C4 C -0.0051(3) 0.8508(2) 0.2266(2) 0.0854(16) Uani 1 1 d .
H4A H -0.0708 0.8699 0.2384 0.102 Uiso 1 1 calc R
C3 C 0.0014(4) 0.8505(2) 0.1745(2) 0.0875(17) Uani 1 1 d .
H3A H -0.0600 0.8688 0.1507 0.105 Uiso 1 1 calc R
C2 C 0.0971(4) 0.82375(18) 0.15697(17) 0.0742(13) Uani 1 1 d .
H2A H 0.1022 0.8242 0.1210 0.089 Uiso 1 1 calc R
C1 C 0.1870(3) 0.79583(15) 0.19179(14) 0.0500(9) Uani 1 1 d .
H1A H 0.2526 0.7773 0.1794 0.060 Uiso 1 1 calc R
C9 C 0.4753(3) 0.84008(13) 0.39377(11) 0.0330(6) Uani 1 1 d .
C10 C 0.3913(3) 0.88755(14) 0.38769(11) 0.0366(7) Uani 1 1 d .
C11 C 0.4115(3) 0.94669(15) 0.40918(13) 0.0457(8) Uani 1 1 d .
C12 C 0.5195(3) 0.96059(15) 0.43851(13) 0.0479(9) Uani 1 1 d .
C13 C 0.6034(3) 0.91464(16) 0.44806(12) 0.0452(8) Uani 1 1 d .
C14 C 0.5800(3) 0.85642(15) 0.42587(12) 0.0412(7) Uani 1 1 d .
C15 C 0.4720(2) 0.71720(13) 0.41046(11) 0.0319(6) Uani 1 1 d .
C20 C 0.5547(3) 0.66906(15) 0.42087(12) 0.0436(8) Uani 1 1 d .
C19 C 0.5489(4) 0.62316(16) 0.45802(14) 0.0556(10) Uani 1 1 d .
C18 C 0.4596(4) 0.62430(16) 0.48756(14) 0.0549(10) Uani 1 1 d .
C17 C 0.3776(3) 0.67209(16) 0.48107(12) 0.0470(8) Uani 1 1 d .
C16 C 0.3864(3) 0.71705(14) 0.44359(11) 0.0365(7) Uani 1 1 d .
C22 C 0.5687(3) 0.77113(14) 0.22009(12) 0.0390(7) Uani 1 1 d .
C27 C 0.6578(3) 0.75835(18) 0.19084(14) 0.0554(9) Uani 1 1 d .
H27A H 0.7088 0.7238 0.1990 0.066 Uiso 1 1 calc R
C26 C 0.6713(5) 0.7976(2) 0.14882(16) 0.0806(14) Uani 1 1 d .
H26A H 0.7314 0.7896 0.1284 0.097 Uiso 1 1 calc R
C25 C 0.5959(6) 0.8479(3) 0.13766(19) 0.0971(18) Uani 1 1 d .
H25A H 0.6038 0.8737 0.1089 0.116 Uiso 1 1 calc R
C24 C 0.5097(5) 0.8610(2) 0.16748(19) 0.0843(15) Uani 1 1 d .
H24A H 0.4597 0.8960 0.1595 0.101 Uiso 1 1 calc R
C23 C 0.4958(3) 0.82312(16) 0.20925(16) 0.0585(10) Uani 1 1 d .
H23A H 0.4373 0.8325 0.2302 0.070 Uiso 1 1 calc R
C34 C 0.4670(3) 0.62664(13) 0.16323(11) 0.0333(7) Uani 1 1 d .
C35 C 0.5729(3) 0.61405(14) 0.14454(13) 0.0426(8) Uani 1 1 d .
H35A H 0.6302 0.5875 0.1635 0.051 Uiso 1 1 calc R
C36 C 0.5943(4) 0.64044(16) 0.09804(14) 0.0565(10) Uani 1 1 d .
H36A H 0.6658 0.6312 0.0855 0.068 Uiso 1 1 calc R
C37 C 0.5128(4) 0.67979(17) 0.07006(14) 0.0590(10) Uani 1 1 d .
H37A H 0.5283 0.6975 0.0385 0.071 Uiso 1 1 calc R
C38 C 0.4084(4) 0.69311(17) 0.08850(14) 0.0585(10) Uani 1 1 d .
H38A H 0.3522 0.7201 0.0694 0.070 Uiso 1 1 calc R
C39 C 0.3852(3) 0.66717(15) 0.13481(13) 0.0447(8) Uani 1 1 d .
H39A H 0.3137 0.6769 0.1472 0.054 Uiso 1 1 calc R
C28 C 0.5591(2) 0.55058(13) 0.25421(11) 0.0328(6) Uani 1 1 d .
C33 C 0.6016(3) 0.49829(15) 0.22959(13) 0.0432(8) Uani 1 1 d .
H33A H 0.5617 0.4849 0.1969 0.052 Uiso 1 1 calc R
C32 C 0.7015(3) 0.46643(16) 0.25309(17) 0.0577(10) Uani 1 1 d .
H32A H 0.7298 0.4316 0.2363 0.069 Uiso 1 1 calc R
C31 C 0.7604(3) 0.48560(19) 0.30143(18) 0.0665(11) Uani 1 1 d .
H31A H 0.8289 0.4640 0.3172 0.080 Uiso 1 1 calc R
C30 C 0.7187(3) 0.53623(19) 0.32639(16) 0.0641(11) Uani 1 1 d .
H30A H 0.7578 0.5489 0.3594 0.077 Uiso 1 1 calc R
C29 C 0.6188(3) 0.56829(15) 0.30249(13) 0.0427(8) Uani 1 1 d .
H29A H 0.5909 0.6030 0.3196 0.051 Uiso 1 1 calc R
C40 C 0.3334(3) 0.52532(13) 0.19868(12) 0.0343(7) Uani 1 1 d .
C41 C 0.3281(3) 0.47391(14) 0.23171(13) 0.0408(7) Uani 1 1 d .
H41A H 0.3678 0.4755 0.2664 0.049 Uiso 1 1 calc R
C42 C 0.2647(3) 0.42060(16) 0.21381(17) 0.0554(10) Uani 1 1 d .
H42A H 0.2630 0.3858 0.2361 0.066 Uiso 1 1 calc R
C43 C 0.2044(3) 0.41842(18) 0.16349(19) 0.0645(11) Uani 1 1 d .
H43A H 0.1614 0.3822 0.1514 0.077 Uiso 1 1 calc R
C44 C 0.2070(3) 0.46947(19) 0.13074(15) 0.0589(10) Uani 1 1 d .
H44A H 0.1645 0.4682 0.0966 0.071 Uiso 1 1 calc R
C45 C 0.2719(3) 0.52245(16) 0.14806(13) 0.0450(8) Uani 1 1 d .
H45A H 0.2745 0.5567 0.1254 0.054 Uiso 1 1 calc R
C52 C 0.2135(3) 0.56457(13) 0.33066(11) 0.0307(6) Uani 1 1 d .
C57 C 0.3296(3) 0.55106(14) 0.35360(11) 0.0378(7) Uani 1 1 d .
H57A H 0.3940 0.5704 0.3409 0.045 Uiso 1 1 calc R
C56 C 0.3515(3) 0.50919(15) 0.39523(13) 0.0478(8) Uani 1 1 d .
H56A H 0.4304 0.5007 0.4108 0.057 Uiso 1 1 calc R
C55 C 0.2580(4) 0.48042(16) 0.41358(13) 0.0545(10) Uani 1 1 d .
H55A H 0.2730 0.4516 0.4413 0.065 Uiso 1 1 calc R
C54 C 0.1425(3) 0.49356(15) 0.39150(13) 0.0502(9) Uani 1 1 d .
H54A H 0.0786 0.4738 0.4044 0.060 Uiso 1 1 calc R
C53 C 0.1197(3) 0.53575(14) 0.35036(12) 0.0407(7) Uani 1 1 d .
H53A H 0.0404 0.5449 0.3357 0.049 Uiso 1 1 calc R
C58 C 0.0909(2) 0.59440(14) 0.22467(11) 0.0312(6) Uani 1 1 d .
C63 C 0.0617(3) 0.63459(16) 0.18258(12) 0.0437(8) Uani 1 1 d .
H63A H 0.0980 0.6743 0.1831 0.052 Uiso 1 1 calc R
C62 C -0.0201(3) 0.61700(19) 0.13998(13) 0.0576(10) Uani 1 1 d .
H62A H -0.0410 0.6451 0.1120 0.069 Uiso 1 1 calc R
C61 C -0.0712(3) 0.5581(2) 0.13844(14) 0.0588(10) Uani 1 1 d .
H61A H -0.1261 0.5458 0.1092 0.071 Uiso 1 1 calc R
C60 C -0.0419(3) 0.51765(17) 0.17945(13) 0.0495(9) Uani 1 1 d .
H60A H -0.0769 0.4775 0.1783 0.059 Uiso 1 1 calc R
C59 C 0.0391(3) 0.53541(14) 0.22270(12) 0.0386(7) Uani 1 1 d .
H59A H 0.0590 0.5073 0.2507 0.046 Uiso 1 1 calc R
C46 C 0.0778(2) 0.67155(13) 0.31203(11) 0.0298(6) Uani 1 1 d .
C47 C 0.1143(3) 0.69453(16) 0.36166(12) 0.0431(8) Uani 1 1 d .
H47A H 0.1941 0.6892 0.3773 0.052 Uiso 1 1 calc R
C48 C 0.0361(3) 0.72518(17) 0.38880(13) 0.0527(9) Uani 1 1 d .
H48A H 0.0628 0.7403 0.4227 0.063 Uiso 1 1 calc R
C49 C -0.0797(3) 0.73373(19) 0.36664(15) 0.0580(10) Uani 1 1 d .
H49A H -0.1332 0.7550 0.3850 0.070 Uiso 1 1 calc R
C50 C -0.1174(3) 0.7111(2) 0.31751(16) 0.0710(13) Uani 1 1 d .
H50A H -0.1975 0.7166 0.3022 0.085 Uiso 1 1 calc R
C51 C -0.0393(3) 0.68029(17) 0.28985(13) 0.0517(9) Uani 1 1 d .
H51A H -0.0664 0.6653 0.2559 0.062 Uiso 1 1 calc R
B1 B 0.4661(3) 0.77115(15) 0.36467(13) 0.0312(7) Uani 1 1 d .
C101 C 0.0441(4) 0.5602(2) 0.50207(18) 0.0828(13) Uiso 1 1 d .
H10A H 0.0743 0.6014 0.5037 0.099 Uiso 1 1 calc R
C100 C 0.1116(4) 0.5110(2) 0.52654(18) 0.0798(13) Uiso 1 1 d .
H100 H 0.1887 0.5188 0.5446 0.096 Uiso 1 1 calc R
C102 C -0.0676(4) 0.5472(2) 0.47544(18) 0.0809(13) Uiso 1 1 d .
H102 H -0.1138 0.5799 0.4583 0.097 Uiso 1 1 calc R
C202 C 1.0209(5) 0.3241(3) 0.9971(2) 0.1072(18) Uiso 1 1 d .
H20F H 1.0762 0.3521 0.9827 0.129 Uiso 1 1 calc R
H20G H 1.0501 0.3189 1.0346 0.129 Uiso 1 1 calc R
C201 C 1.0210(7) 0.2632(4) 0.9716(3) 0.151(3) Uiso 1 1 d .
H20D H 0.9658 0.2355 0.9866 0.182 Uiso 1 1 calc R
H20E H 0.9891 0.2687 0.9345 0.182 Uiso 1 1 calc R
C203 C 0.9002(7) 0.3540(4) 0.9905(3) 0.157(3) Uiso 1 1 d .
H20H H 0.8727 0.3598 0.9531 0.189 Uiso 1 1 calc R
H20L H 0.8448 0.3248 1.0037 0.189 Uiso 1 1 calc R
C204 C 0.8926(8) 0.4150(4) 1.0168(3) 0.196(4) Uiso 1 1 d .
H20I H 0.8112 0.4304 1.0099 0.294 Uiso 1 1 calc R
H20J H 0.9454 0.4449 1.0036 0.294 Uiso 1 1 calc R
H20K H 0.9164 0.4098 1.0542 0.294 Uiso 1 1 calc R
C200 C 1.1294(7) 0.2330(4) 0.9751(3) 0.168(3) Uiso 1 1 d .
H20A H 1.1186 0.1930 0.9570 0.252 Uiso 1 1 calc R
H20B H 1.1614 0.2258 1.0116 0.252 Uiso 1 1 calc R
H20C H 1.1845 0.2588 0.9591 0.252 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
C7 Rh1 P2 89.67(7) .
C7 Rh1 C8 31.51(10) .
P2 Rh1 C8 99.64(7) .
C7 Rh1 P1 157.90(8) .
P2 Rh1 P1 94.34(3) .
C8 Rh1 P1 163.77(7) .
C7 Rh1 S1 93.63(7) .
P2 Rh1 S1 168.74(3) .
C8 Rh1 S1 78.05(7) .
P1 Rh1 S1 86.64(3) .
C22 S1 C21 101.61(15) .
C22 S1 Rh1 113.43(10) .
C21 S1 Rh1 105.68(10) .
C34 P1 C28 105.11(13) .
C34 P1 C40 102.50(13) .
C28 P1 C40 98.67(13) .
C34 P1 Rh1 106.56(9) .
C28 P1 Rh1 117.57(10) .
C40 P1 Rh1 124.21(9) .
C52 P2 C58 107.36(13) .
C52 P2 C46 97.09(13) .
C58 P2 C46 100.25(13) .
C52 P2 Rh1 112.33(9) .
C58 P2 Rh1 118.85(9) .
C46 P2 Rh1 118.18(9) .
B1 C21 S1 115.1(2) .
B1 C21 H21A 108.5 .
S1 C21 H21A 108.5 .
B1 C21 H21B 108.5 .
S1 C21 H21B 108.5 .
H21A C21 H21B 107.5 .
C7 C8 B1 161.6(3) .
C7 C8 Rh1 71.67(18) .
B1 C8 Rh1 114.12(18) .
C8 C7 C6 160.4(3) .
C8 C7 Rh1 76.82(18) .
C6 C7 Rh1 122.7(2) .
C1 C6 C5 119.0(3) .
C1 C6 C7 120.9(3) .
C5 C6 C7 120.1(3) .
C4 C5 C6 119.2(4) .
C4 C5 H5A 120.4 .
C6 C5 H5A 120.4 .
C3 C4 C5 121.3(4) .
C3 C4 H4A 119.3 .
C5 C4 H4A 119.3 .
C4 C3 C2 119.8(4) .
C4 C3 H3A 120.1 .
C2 C3 H3A 120.1 .
C3 C2 C1 120.4(4) .
C3 C2 H2A 119.8 .
C1 C2 H2A 119.8 .
C2 C1 C6 120.2(4) .
C2 C1 H1A 119.9 .
C6 C1 H1A 119.9 .
C10 C9 C14 113.4(3) .
C10 C9 B1 127.3(3) .
C14 C9 B1 119.2(3) .
F1 C10 C11 115.7(3) .
F1 C10 C9 120.8(3) .
C11 C10 C9 123.5(3) .
F2 C11 C12 119.8(3) .
F2 C11 C10 120.3(3) .
C12 C11 C10 119.9(3) .
F3 C12 C13 120.3(3) .
F3 C12 C11 120.6(3) .
C13 C12 C11 119.1(3) .
F4 C13 C12 120.0(3) .
F4 C13 C14 120.9(3) .
C12 C13 C14 119.2(3) .
F5 C14 C13 115.9(3) .
F5 C14 C9 119.4(3) .
C13 C14 C9 124.8(3) .
C20 C15 C16 113.2(3) .
C20 C15 B1 127.5(3) .
C16 C15 B1 119.4(3) .
F10 C20 C19 116.0(3) .
F10 C20 C15 120.3(3) .
C19 C20 C15 123.8(3) .
F9 C19 C18 119.9(3) .
F9 C19 C20 120.1(4) .
C18 C19 C20 119.9(3) .
F8 C18 C19 120.5(4) .
F8 C18 C17 119.9(4) .
C19 C18 C17 119.6(3) .
F7 C17 C18 120.6(3) .
F7 C17 C16 120.7(3) .
C18 C17 C16 118.8(3) .
F6 C16 C17 116.1(3) .
F6 C16 C15 119.2(3) .
C17 C16 C15 124.7(3) .
C27 C22 C23 120.8(3) .
C27 C22 S1 117.1(3) .
C23 C22 S1 122.1(3) .
C22 C27 C26 119.0(4) .
C22 C27 H27A 120.5 .
C26 C27 H27A 120.5 .
C25 C26 C27 119.4(4) .
C25 C26 H26A 120.3 .
C27 C26 H26A 120.3 .
C24 C25 C26 121.2(4) .
C24 C25 H25A 119.4 .
C26 C25 H25A 119.4 .
C25 C24 C23 120.2(5) .
C25 C24 H24A 119.9 .
C23 C24 H24A 119.9 .
C24 C23 C22 119.4(4) .
C24 C23 H23A 120.3 .
C22 C23 H23A 120.3 .
C35 C34 C39 118.5(3) .
C35 C34 P1 124.5(2) .
C39 C34 P1 117.0(2) .
C36 C35 C34 120.1(3) .
C36 C35 H35A 120.0 .
C34 C35 H35A 120.0 .
C37 C36 C35 121.0(3) .
C37 C36 H36A 119.5 .
C35 C36 H36A 119.5 .
C36 C37 C38 119.4(3) .
C36 C37 H37A 120.3 .
C38 C37 H37A 120.3 .
C37 C38 C39 120.5(3) .
C37 C38 H38A 119.7 .
C39 C38 H38A 119.7 .
C38 C39 C34 120.4(3) .
C38 C39 H39A 119.8 .
C34 C39 H39A 119.8 .
C29 C28 C33 118.3(3) .
C29 C28 P1 121.0(2) .
C33 C28 P1 120.7(2) .
C32 C33 C28 120.4(3) .
C32 C33 H33A 119.8 .
C28 C33 H33A 119.8 .
C33 C32 C31 120.2(3) .
C33 C32 H32A 119.9 .
C31 C32 H32A 119.9 .
C30 C31 C32 120.1(3) .
C30 C31 H31A 120.0 .
C32 C31 H31A 120.0 .
C31 C30 C29 119.5(4) .
C31 C30 H30A 120.2 .
C29 C30 H30A 120.2 .
C28 C29 C30 121.6(3) .
C28 C29 H29A 119.2 .
C30 C29 H29A 119.2 .
C45 C40 C41 118.7(3) .
C45 C40 P1 122.6(2) .
C41 C40 P1 118.6(2) .
C42 C41 C40 120.5(3) .
C42 C41 H41A 119.8 .
C40 C41 H41A 119.8 .
C43 C42 C41 120.1(4) .
C43 C42 H42A 119.9 .
C41 C42 H42A 119.9 .
C42 C43 C44 120.0(3) .
C42 C43 H43A 120.0 .
C44 C43 H43A 120.0 .
C43 C44 C45 120.2(4) .
C43 C44 H44A 119.9 .
C45 C44 H44A 119.9 .
C44 C45 C40 120.5(3) .
C44 C45 H45A 119.8 .
C40 C45 H45A 119.8 .
C57 C52 C53 118.7(3) .
C57 C52 P2 119.2(2) .
C53 C52 P2 121.6(2) .
C52 C57 C56 120.6(3) .
C52 C57 H57A 119.7 .
C56 C57 H57A 119.7 .
C55 C56 C57 120.0(3) .
C55 C56 H56A 120.0 .
C57 C56 H56A 120.0 .
C56 C55 C54 120.2(3) .
C56 C55 H55A 119.9 .
C54 C55 H55A 119.9 .
C55 C54 C53 120.3(3) .
C55 C54 H54A 119.9 .
C53 C54 H54A 119.9 .
C54 C53 C52 120.3(3) .
C54 C53 H53A 119.9 .
C52 C53 H53A 119.9 .
C59 C58 C63 118.9(3) .
C59 C58 P2 124.8(2) .
C63 C58 P2 116.2(2) .
C62 C63 C58 120.7(3) .
C62 C63 H63A 119.6 .
C58 C63 H63A 119.6 .
C63 C62 C61 119.9(3) .
C63 C62 H62A 120.1 .
C61 C62 H62A 120.1 .
C60 C61 C62 120.0(3) .
C60 C61 H61A 120.0 .
C62 C61 H61A 120.0 .
C61 C60 C59 120.4(3) .
C61 C60 H60A 119.8 .
C59 C60 H60A 119.8 .
C58 C59 C60 120.1(3) .
C58 C59 H59A 119.9 .
C60 C59 H59A 119.9 .
C51 C46 C47 118.3(3) .
C51 C46 P2 124.4(2) .
C47 C46 P2 117.3(2) .
C48 C47 C46 121.3(3) .
C48 C47 H47A 119.3 .
C46 C47 H47A 119.3 .
C49 C48 C47 120.2(3) .
C49 C48 H48A 119.9 .
C47 C48 H48A 119.9 .
C48 C49 C50 119.3(3) .
C48 C49 H49A 120.4 .
C50 C49 H49A 120.4 .
C49 C50 C51 121.0(3) .
C49 C50 H50A 119.5 .
C51 C50 H50A 119.5 .
C46 C51 C50 120.0(3) .
C46 C51 H51A 120.0 .
C50 C51 H51A 120.0 .
C8 B1 C15 110.5(2) .
C8 B1 C9 114.9(2) .
C15 B1 C9 107.5(2) .
C8 B1 C21 102.1(2) .
C15 B1 C21 118.2(2) .
C9 B1 C21 103.7(2) .
C102 C101 C100 118.5(5) .
C102 C101 H10A 120.8 .
C100 C101 H10A 120.8 .
C102 C100 C101 120.4(5) 3_566
C102 C100 H100 119.8 3_566
C101 C100 H100 119.8 .
C100 C102 C101 121.1(5) 3_566
C100 C102 H102 119.4 3_566
C101 C102 H102 119.4 .
C201 C202 C203 113.1(6) .
C201 C202 H20F 109.0 .
C203 C202 H20F 109.0 .
C201 C202 H20G 109.0 .
C203 C202 H20G 109.0 .
H20F C202 H20G 107.8 .
C200 C201 C202 116.7(7) .
C200 C201 H20D 108.1 .
C202 C201 H20D 108.1 .
C200 C201 H20E 108.1 .
C202 C201 H20E 108.1 .
H20D C201 H20E 107.3 .
C204 C203 C202 116.1(7) .
C204 C203 H20H 108.3 .
C202 C203 H20H 108.3 .
C204 C203 H20L 108.3 .
C202 C203 H20L 108.3 .
H20H C203 H20L 107.4 .
C203 C204 H20I 109.5 .
C203 C204 H20J 109.5 .
H20I C204 H20J 109.5 .
C203 C204 H20K 109.5 .
H20I C204 H20K 109.5 .
H20J C204 H20K 109.5 .
C201 C200 H20A 109.5 .
C201 C200 H20B 109.5 .
H20A C200 H20B 109.5 .
C201 C200 H20C 109.5 .
H20A C200 H20C 109.5 .
H20B C200 H20C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C7 2.227(3) .
Rh1 P2 2.2701(7) .
Rh1 C8 2.284(3) .
Rh1 P1 2.3133(7) .
Rh1 S1 2.3918(7) .
S1 C22 1.786(3) .
S1 C21 1.825(3) .
P1 C34 1.836(3) .
P1 C28 1.836(3) .
P1 C40 1.839(3) .
P2 C52 1.829(3) .
P2 C58 1.830(3) .
P2 C46 1.840(3) .
F2 C11 1.345(4) .
F3 C12 1.349(3) .
F4 C13 1.350(4) .
F5 C14 1.361(4) .
F1 C10 1.348(3) .
F9 C19 1.348(4) .
F8 C18 1.353(4) .
F7 C17 1.345(4) .
F6 C16 1.351(3) .
F10 C20 1.357(4) .
C21 B1 1.648(4) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C8 C7 1.226(4) .
C8 B1 1.601(4) .
C7 C6 1.454(4) .
C6 C1 1.387(5) .
C6 C5 1.393(5) .
C5 C4 1.388(6) .
C5 H5A 0.9400 .
C4 C3 1.361(7) .
C4 H4A 0.9400 .
C3 C2 1.364(7) .
C3 H3A 0.9400 .
C2 C1 1.386(5) .
C2 H2A 0.9400 .
C1 H1A 0.9400 .
C9 C10 1.382(4) .
C9 C14 1.384(4) .
C9 B1 1.646(4) .
C10 C11 1.381(4) .
C11 C12 1.370(5) .
C12 C13 1.360(5) .
C13 C14 1.375(4) .
C15 C20 1.387(4) .
C15 C16 1.389(4) .
C15 B1 1.644(4) .
C20 C19 1.379(5) .
C19 C18 1.358(5) .
C18 C17 1.371(5) .
C17 C16 1.377(4) .
C22 C27 1.378(5) .
C22 C23 1.385(5) .
C27 C26 1.398(5) .
C27 H27A 0.9400 .
C26 C25 1.372(7) .
C26 H26A 0.9400 .
C25 C24 1.363(7) .
C25 H25A 0.9400 .
C24 C23 1.377(6) .
C24 H24A 0.9400 .
C23 H23A 0.9400 .
C34 C35 1.386(4) .
C34 C39 1.392(4) .
C35 C36 1.382(4) .
C35 H35A 0.9400 .
C36 C37 1.368(5) .
C36 H36A 0.9400 .
C37 C38 1.372(5) .
C37 H37A 0.9400 .
C38 C39 1.381(5) .
C38 H38A 0.9400 .
C39 H39A 0.9400 .
C28 C29 1.378(4) .
C28 C33 1.404(4) .
C33 C32 1.379(5) .
C33 H33A 0.9400 .
C32 C31 1.386(6) .
C32 H32A 0.9400 .
C31 C30 1.377(6) .
C31 H31A 0.9400 .
C30 C29 1.385(4) .
C30 H30A 0.9400 .
C29 H29A 0.9400 .
C40 C45 1.387(4) .
C40 C41 1.396(4) .
C41 C42 1.384(4) .
C41 H41A 0.9400 .
C42 C43 1.376(5) .
C42 H42A 0.9400 .
C43 C44 1.381(6) .
C43 H43A 0.9400 .
C44 C45 1.384(5) .
C44 H44A 0.9400 .
C45 H45A 0.9400 .
C52 C57 1.388(4) .
C52 C53 1.391(4) .
C57 C56 1.391(4) .
C57 H57A 0.9400 .
C56 C55 1.370(5) .
C56 H56A 0.9400 .
C55 C54 1.375(5) .
C55 H55A 0.9400 .
C54 C53 1.387(4) .
C54 H54A 0.9400 .
C53 H53A 0.9400 .
C58 C59 1.384(4) .
C58 C63 1.384(4) .
C63 C62 1.379(4) .
C63 H63A 0.9400 .
C62 C61 1.379(5) .
C62 H62A 0.9400 .
C61 C60 1.368(5) .
C61 H61A 0.9400 .
C60 C59 1.387(4) .
C60 H60A 0.9400 .
C59 H59A 0.9400 .
C46 C51 1.376(4) .
C46 C47 1.377(4) .
C47 C48 1.376(4) .
C47 H47A 0.9400 .
C48 C49 1.362(5) .
C48 H48A 0.9400 .
C49 C50 1.365(5) .
C49 H49A 0.9400 .
C50 C51 1.386(5) .
C50 H50A 0.9400 .
C51 H51A 0.9400 .
C101 C102 1.374(6) .
C101 C100 1.392(6) .
C101 H10A 0.9400 .
C100 C102 1.334(6) 3_566
C100 H100 0.9400 .
C102 C100 1.334(6) 3_566
C102 H102 0.9400 .
C202 C201 1.455(8) .
C202 C203 1.494(8) .
C202 H20F 0.9800 .
C202 H20G 0.9800 .
C201 C200 1.377(9) .
C201 H20D 0.9800 .
C201 H20E 0.9800 .
C203 C204 1.475(10) .
C203 H20H 0.9800 .
C203 H20L 0.9800 .
C204 H20I 0.9700 .
C204 H20J 0.9700 .
C204 H20K 0.9700 .
C200 H20A 0.9700 .
C200 H20B 0.9700 .
C200 H20C 0.9700 .
