#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/86/4078626.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_4078626
loop_
_publ_author_name
'Suess, Daniel L. M.'
'Peters, Jonas C.'
_publ_section_title
;
 Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              5213
_journal_paper_doi               10.1021/om3001229
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C48.5 H43 F6 N O P3 Rh S'
_chemical_formula_weight         997.72
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 125.157(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.188(2)
_cell_length_b                   12.5088(7)
_cell_length_c                   27.1062(16)
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.85
_cell_measurement_theta_min      2.20
_cell_volume                     9200.1(10)
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            129317
_diffrn_reflns_theta_full        34.97
_diffrn_reflns_theta_max         34.97
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.582
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             4072
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.299
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         20010
_refine_ls_number_restraints     508
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0347P)²+11.8563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                15123
_reflns_number_total             20010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3001229_si_002.cif
_cod_data_source_block           '[(SOP2)Rh(NCCH3)][PF6]'
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        9200.0(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C48.50 H43 F6 N O P3 Rh S'
_cod_database_code               4078626
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.302249(4) 0.879645(9) 0.837514(5) 0.01189(3) Uani 1 1 d U
P1 P 0.373695(14) 0.85880(3) 0.843519(17) 0.01338(7) Uani 1 1 d U
P2 P 0.239072(14) 0.86849(3) 0.847830(16) 0.01277(7) Uani 1 1 d U
F6 F 0.37530(4) 1.25019(9) 1.05265(4) 0.0247(2) Uani 1 1 d U
S1 S 0.308783(13) 0.70876(3) 0.850937(15) 0.01288(6) Uani 1 1 d U
O1 O 0.29393(4) 0.63383(9) 0.80101(5) 0.0177(2) Uani 1 1 d U
C34 C 0.21719(7) 1.11881(14) 0.95412(8) 0.0228(3) Uani 1 1 d U
H34 H 0.2132 1.1704 0.9767 0.027 Uiso 1 1 calc R
C20 C 0.24872(5) 0.74302(12) 0.88739(6) 0.0150(3) Uani 1 1 d U
C37 C 0.29261(6) 1.13285(13) 0.82604(6) 0.0173(3) Uani 1 1 d U
C13 C 0.40312(5) 0.74656(12) 0.89596(6) 0.0143(2) Uani 1 1 d U
C36 C 0.18397(6) 0.97642(13) 0.88107(7) 0.0192(3) Uani 1 1 d U
H36 H 0.1573 0.9311 0.8535 0.023 Uiso 1 1 calc R
C15 C 0.39369(6) 0.60512(12) 0.95046(7) 0.0181(3) Uani 1 1 d U
H15 H 0.3733 0.5640 0.9574 0.022 Uiso 1 1 calc R
C14 C 0.37357(5) 0.68399(12) 0.90622(6) 0.0141(2) Uani 1 1 d U
C19 C 0.27815(5) 0.66684(12) 0.88428(7) 0.0154(3) Uani 1 1 d U
C10 C 0.49424(6) 1.11624(14) 0.93663(7) 0.0207(3) Uani 1 1 d U
H10 H 0.5197 1.1682 0.9571 0.025 Uiso 1 1 calc R
C33 C 0.26176(7) 1.11178(13) 0.96059(7) 0.0212(3) Uani 1 1 d U
H33 H 0.2881 1.1585 0.9875 0.025 Uiso 1 1 calc R
C30 C 0.16204(6) 0.94035(13) 0.73650(7) 0.0195(3) Uani 1 1 d U
H30 H 0.1794 1.0063 0.7496 0.023 Uiso 1 1 calc R
C11 C 0.45959(6) 1.10671(13) 0.94973(7) 0.0189(3) Uani 1 1 d U
H11 H 0.4611 1.1525 0.9787 0.023 Uiso 1 1 calc R
C7 C 0.42055(5) 0.96214(12) 0.87782(6) 0.0148(2) Uani 1 1 d U
C21 C 0.22517(6) 0.71416(13) 0.91461(7) 0.0193(3) Uani 1 1 d U
H21 H 0.2059 0.7652 0.9184 0.023 Uiso 1 1 calc R
C1 C 0.36948(6) 0.82123(13) 0.77613(7) 0.0171(3) Uani 1 1 d U
C9 C 0.49199(6) 1.05053(14) 0.89388(8) 0.0217(3) Uani 1 1 d U
H9 H 0.5155 1.0583 0.8847 0.026 Uiso 1 1 calc R
C31 C 0.22895(5) 0.96840(12) 0.88778(6) 0.0144(2) Uani 1 1 d U
C12 C 0.42281(6) 1.02994(13) 0.92032(6) 0.0162(3) Uani 1 1 d U
H12 H 0.3991 1.0235 0.9291 0.019 Uiso 1 1 calc R
C5 C 0.34639(8) 0.87288(18) 0.67727(8) 0.0321(4) Uani 1 1 d U
H5 H 0.3326 0.9238 0.6455 0.038 Uiso 1 1 calc R
C35 C 0.17851(7) 1.05104(14) 0.91491(8) 0.0219(3) Uani 1 1 d U
H35 H 0.1483 1.0556 0.9112 0.026 Uiso 1 1 calc R
N1 N 0.29713(5) 1.04226(11) 0.82790(6) 0.0163(2) Uani 1 1 d U
C16 C 0.44447(6) 0.58786(13) 0.98442(7) 0.0203(3) Uani 1 1 d U
H16 H 0.4589 0.5356 1.0155 0.024 Uiso 1 1 calc R
C6 C 0.34838(7) 0.89478(16) 0.72879(8) 0.0275(4) Uani 1 1 d U
H6 H 0.3353 0.9601 0.7319 0.033 Uiso 1 1 calc R
C18 C 0.45344(6) 0.72537(13) 0.92909(7) 0.0174(3) Uani 1 1 d U
H18 H 0.4738 0.7651 0.9215 0.021 Uiso 1 1 calc R
C24 C 0.28004(6) 0.56090(13) 0.90158(7) 0.0197(3) Uani 1 1 d U
H24 H 0.2972 0.5083 0.8951 0.024 Uiso 1 1 calc R
C17 C 0.47416(6) 0.64610(13) 0.97337(7) 0.0204(3) Uani 1 1 d U
H17 H 0.5085 0.6319 0.9959 0.024 Uiso 1 1 calc R
C32 C 0.26784(6) 1.03624(13) 0.92762(7) 0.0171(3) Uani 1 1 d U
H32 H 0.2984 1.0309 0.9323 0.021 Uiso 1 1 calc R
C2 C 0.38696(8) 0.72482(15) 0.77025(8) 0.0275(4) Uani 1 1 d U
H2 H 0.4008 0.6737 0.8019 0.033 Uiso 1 1 calc R
C25 C 0.17963(5) 0.85230(12) 0.77568(6) 0.0147(3) Uani 1 1 d U
C38 C 0.28661(7) 1.24840(13) 0.82550(7) 0.0240(3) Uani 1 1 d U
H38A H 0.2731 1.2666 0.8484 0.036 Uiso 1 1 calc R
H38B H 0.2640 1.2731 0.7838 0.036 Uiso 1 1 calc R
H38C H 0.3187 1.2832 0.8440 0.036 Uiso 1 1 calc R
C23 C 0.25627(6) 0.53400(14) 0.92842(8) 0.0231(3) Uani 1 1 d U
H23 H 0.2580 0.4627 0.9416 0.028 Uiso 1 1 calc R
C8 C 0.45524(6) 0.97323(14) 0.86446(7) 0.0192(3) Uani 1 1 d U
H8 H 0.4537 0.9280 0.8353 0.023 Uiso 1 1 calc R
C26 C 0.15434(7) 0.75586(14) 0.75593(7) 0.0238(3) Uani 1 1 d U
H26 H 0.1662 0.6959 0.7822 0.029 Uiso 1 1 calc R
C28 C 0.09401(7) 0.83455(16) 0.65915(8) 0.0286(4) Uani 1 1 d U
H28 H 0.0647 0.8286 0.6195 0.034 Uiso 1 1 calc R
C4 C 0.36441(8) 0.77726(18) 0.67208(8) 0.0333(4) Uani 1 1 d U
H4 H 0.3632 0.7627 0.6368 0.040 Uiso 1 1 calc R
C3 C 0.38434(9) 0.70247(17) 0.71819(9) 0.0369(5) Uani 1 1 d U
H3 H 0.3962 0.6361 0.7142 0.044 Uiso 1 1 calc R
C29 C 0.11926(7) 0.93089(15) 0.67858(7) 0.0256(4) Uani 1 1 d U
H29 H 0.1072 0.9907 0.6521 0.031 Uiso 1 1 calc R
C22 C 0.22991(7) 0.61041(14) 0.93620(8) 0.0233(3) Uani 1 1 d U
H22 H 0.2151 0.5918 0.9563 0.028 Uiso 1 1 calc R
C27 C 0.11149(7) 0.74689(15) 0.69741(8) 0.0298(4) Uani 1 1 d U
H27 H 0.0944 0.6807 0.6839 0.036 Uiso 1 1 calc R
P3 P 0.385837(16) 1.29517(3) 1.005689(18) 0.01728(8) Uani 1 1 d U
F5 F 0.39586(5) 1.34054(10) 0.95825(5) 0.0324(3) Uani 1 1 d U
F4 F 0.32978(4) 1.33611(10) 0.96290(5) 0.0301(2) Uani 1 1 d U
F3 F 0.36918(4) 1.18298(8) 0.97069(5) 0.0261(2) Uani 1 1 d U
F2 F 0.40172(5) 1.40812(10) 1.03985(5) 0.0359(3) Uani 1 1 d U
F1 F 0.44138(4) 1.25405(12) 1.04822(5) 0.0364(3) Uani 1 1 d U
C45 C 0.40222(8) 1.0370(2) 0.61806(10) 0.0390(5) Uani 1 1 d U
H45 H 0.4084 0.9676 0.6353 0.047 Uiso 1 1 calc R
C44 C 0.38321(7) 1.0471(2) 0.55780(10) 0.0370(5) Uani 1 1 d U
H44 H 0.3768 0.9854 0.5339 0.044 Uiso 1 1 calc R
C43 C 0.37349(9) 1.1477(2) 0.53239(11) 0.0447(6) Uani 1 1 d U
H43 H 0.3599 1.1552 0.4907 0.054 Uiso 1 1 calc R
C41 C 0.40275(10) 1.2255(3) 0.62799(14) 0.0566(7) Uani 1 1 d U
H41 H 0.4094 1.2873 0.6519 0.068 Uiso 1 1 calc R
C40 C 0.41251(8) 1.1257(2) 0.65420(11) 0.0452(6) Uani 1 1 d U
C39 C 0.43304(12) 1.1127(3) 0.72026(13) 0.0702(10) Uani 1 1 d U
H39A H 0.4069 1.0880 0.7240 0.105 Uiso 1 1 calc R
H39B H 0.4457 1.1815 0.7409 0.105 Uiso 1 1 calc R
H39C H 0.4598 1.0601 0.7387 0.105 Uiso 1 1 calc R
C42 C 0.38331(11) 1.2369(2) 0.56702(15) 0.0558(7) Uani 1 1 d U
H42 H 0.3769 1.3061 0.5495 0.067 Uiso 1 1 calc R
C48 C 0.48195(14) 1.3665(4) 1.19756(15) 0.0932(13) Uani 1 1 d U
H48 H 0.4691 1.3292 1.1608 0.112 Uiso 1 1 calc R
C47 C 0.5000 1.3104(5) 1.2500 0.0797(15) Uani 1 2 d SU
C49 C 0.4825(2) 1.4804(5) 1.1982(2) 0.146(3) Uani 1 1 d U
H49 H 0.4705 1.5188 1.1620 0.175 Uiso 1 1 calc R
C46 C 0.5000 1.1884(5) 1.2500 0.133(3) Uani 1 2 d SU
H46A H 0.5173 1.1623 1.2916 0.200 Uiso 0.50 1 calc PR
H46B H 0.5167 1.1623 1.2321 0.200 Uiso 0.50 1 calc PR
H46C H 0.4659 1.1623 1.2263 0.200 Uiso 0.50 1 calc PR
C50 C 0.5000 1.5341(7) 1.2500 0.310(10) Uani 1 2 d SU
H50 H 0.5000 1.6101 1.2500 0.372 Uiso 1 2 calc SR
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
N1 Rh1 S1 178.03(4) . .
N1 Rh1 P2 93.55(4) . .
S1 Rh1 P2 85.912(14) . .
N1 Rh1 P1 97.39(4) . .
S1 Rh1 P1 82.886(14) . .
P2 Rh1 P1 166.441(14) . .
C1 P1 C7 104.32(7) . .
C1 P1 C13 106.33(7) . .
C7 P1 C13 103.43(7) . .
C1 P1 Rh1 118.75(5) . .
C7 P1 Rh1 120.07(5) . .
C13 P1 Rh1 102.11(5) . .
C31 P2 C25 105.09(7) . .
C31 P2 C20 105.86(7) . .
C25 P2 C20 104.53(7) . .
C31 P2 Rh1 122.27(5) . .
C25 P2 Rh1 112.35(5) . .
C20 P2 Rh1 105.26(5) . .
O1 S1 C19 106.88(7) . .
O1 S1 C14 105.15(7) . .
C19 S1 C14 106.43(7) . .
O1 S1 Rh1 121.71(5) . .
C19 S1 Rh1 110.20(5) . .
C14 S1 Rh1 105.44(5) . .
C35 C34 C33 120.44(15) . .
C35 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C21 C20 C19 118.53(14) . .
C21 C20 P2 124.85(12) . .
C19 C20 P2 116.27(11) . .
N1 C37 C38 177.86(17) . .
C18 C13 C14 118.82(14) . .
C18 C13 P1 123.56(12) . .
C14 C13 P1 117.45(11) . .
C35 C36 C31 119.76(15) . .
C35 C36 H36 120.1 . .
C31 C36 H36 120.1 . .
C14 C15 C16 118.44(15) . .
C14 C15 H15 120.8 . .
C16 C15 H15 120.8 . .
C15 C14 C13 121.56(14) . .
C15 C14 S1 126.08(12) . .
C13 C14 S1 112.00(11) . .
C24 C19 C20 121.58(14) . .
C24 C19 S1 121.40(12) . .
C20 C19 S1 116.79(11) . .
C9 C10 C11 120.52(15) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C34 C33 C32 119.95(16) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C29 C30 C25 119.87(15) . .
C29 C30 H30 120.1 . .
C25 C30 H30 120.1 . .
C12 C11 C10 119.73(15) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C12 C7 C8 119.46(14) . .
C12 C7 P1 118.58(12) . .
C8 C7 P1 121.92(12) . .
C22 C21 C20 119.99(15) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C2 C1 C6 119.30(15) . .
C2 C1 P1 123.15(13) . .
C6 C1 P1 117.54(13) . .
C10 C9 C8 119.87(15) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
C32 C31 C36 119.93(14) . .
C32 C31 P2 118.43(11) . .
C36 C31 P2 121.60(12) . .
C11 C12 C7 120.35(14) . .
C11 C12 H12 119.8 . .
C7 C12 H12 119.8 . .
C4 C5 C6 120.11(18) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C34 C35 C36 120.04(16) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C37 N1 Rh1 173.23(13) . .
C17 C16 C15 120.90(15) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C5 C6 C1 120.21(18) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
C13 C18 C17 120.28(15) . .
C13 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C23 C24 C19 118.52(16) . .
C23 C24 H24 120.7 . .
C19 C24 H24 120.7 . .
C16 C17 C18 119.91(15) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C33 C32 C31 119.87(15) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C1 C2 C3 120.35(18) . .
C1 C2 H2 119.8 . .
C3 C2 H2 119.8 . .
C26 C25 C30 119.63(14) . .
C26 C25 P2 123.46(12) . .
C30 C25 P2 116.56(12) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C24 C23 C22 120.64(16) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C9 C8 C7 120.06(15) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C25 C26 C27 120.09(16) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C27 C28 C29 120.14(16) . .
C27 C28 H28 119.9 . .
C29 C28 H28 119.9 . .
C5 C4 C3 120.16(17) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C3 C2 119.83(19) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C28 C29 C30 120.28(16) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C23 C22 C21 120.31(16) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C28 C27 C26 119.98(17) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
F1 P3 F2 90.45(8) . .
F1 P3 F3 90.39(7) . .
F2 P3 F3 179.13(9) . .
F1 P3 F6 90.15(6) . .
F2 P3 F6 90.01(6) . .
F3 P3 F6 90.24(6) . .
F1 P3 F5 90.38(7) . .
F2 P3 F5 90.01(6) . .
F3 P3 F5 89.74(6) . .
F6 P3 F5 179.46(7) . .
F1 P3 F4 179.74(8) . .
F2 P3 F4 89.72(7) . .
F3 P3 F4 89.45(6) . .
F6 P3 F4 89.65(6) . .
F5 P3 F4 89.82(7) . .
C44 C45 C40 121.5(2) . .
C44 C45 H45 119.3 . .
C40 C45 H45 119.3 . .
C45 C44 C43 119.5(2) . .
C45 C44 H44 120.3 . .
C43 C44 H44 120.3 . .
C42 C43 C44 120.3(2) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C40 C41 C42 121.0(3) . .
C40 C41 H41 119.5 . .
C42 C41 H41 119.5 . .
C41 C40 C45 118.1(2) . .
C41 C40 C39 121.2(3) . .
C45 C40 C39 120.6(3) . .
C40 C39 H39A 109.5 . .
C40 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C40 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C43 C42 C41 119.6(3) . .
C43 C42 H42 120.2 . .
C41 C42 H42 120.2 . .
C47 C48 C49 120.1(4) . .
C47 C48 H48 119.9 . .
C49 C48 H48 119.9 . .
C48 C47 C48 118.7(6) . 2_657
C48 C47 C46 120.7(3) . .
C48 C47 C46 120.7(3) 2_657 .
C50 C49 C48 120.4(5) . .
C50 C49 H49 119.8 . .
C48 C49 H49 119.8 . .
C47 C46 H46A 109.5 . .
C47 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C47 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C49 C50 C49 120.3(8) 2_657 .
C49 C50 H50 119.9 2_657 .
C49 C50 H50 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N1 2.0453(14) .
Rh1 S1 2.1581(4) .
Rh1 P2 2.2736(4) .
Rh1 P1 2.2961(4) .
P1 C1 1.8120(15) .
P1 C7 1.8134(16) .
P1 C13 1.8294(15) .
P2 C31 1.8073(15) .
P2 C25 1.8205(15) .
P2 C20 1.8221(15) .
F6 P3 1.6037(11) .
S1 O1 1.4782(11) .
S1 C19 1.7842(15) .
S1 C14 1.8038(15) .
C34 C35 1.387(3) .
C34 C33 1.389(3) .
C34 H34 0.9500 .
C20 C21 1.396(2) .
C20 C19 1.401(2) .
C37 N1 1.140(2) .
C37 C38 1.458(2) .
C13 C18 1.392(2) .
C13 C14 1.402(2) .
C36 C35 1.392(2) .
C36 C31 1.400(2) .
C36 H36 0.9500 .
C15 C14 1.391(2) .
C15 C16 1.396(2) .
C15 H15 0.9500 .
C19 C24 1.395(2) .
C10 C9 1.387(2) .
C10 C11 1.390(2) .
C10 H10 0.9500 .
C33 C32 1.393(2) .
C33 H33 0.9500 .
C30 C29 1.388(2) .
C30 C25 1.403(2) .
C30 H30 0.9500 .
C11 C12 1.388(2) .
C11 H11 0.9500 .
C7 C12 1.397(2) .
C7 C8 1.399(2) .
C21 C22 1.395(2) .
C21 H21 0.9500 .
C1 C2 1.386(2) .
C1 C6 1.396(2) .
C9 C8 1.392(2) .
C9 H9 0.9500 .
C31 C32 1.395(2) .
C12 H12 0.9500 .
C5 C4 1.380(3) .
C5 C6 1.387(2) .
C5 H5 0.9500 .
C35 H35 0.9500 .
C16 C17 1.390(3) .
C16 H16 0.9500 .
C6 H6 0.9500 .
C18 C17 1.395(2) .
C18 H18 0.9500 .
C24 C23 1.388(2) .
C24 H24 0.9500 .
C17 H17 0.9500 .
C32 H32 0.9500 .
C2 C3 1.391(2) .
C2 H2 0.9500 .
C25 C26 1.389(2) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C23 C22 1.391(3) .
C23 H23 0.9500 .
C8 H8 0.9500 .
C26 C27 1.398(2) .
C26 H26 0.9500 .
C28 C27 1.386(3) .
C28 C29 1.387(3) .
C28 H28 0.9500 .
C4 C3 1.387(3) .
C4 H4 0.9500 .
C3 H3 0.9500 .
C29 H29 0.9500 .
C22 H22 0.9500 .
C27 H27 0.9500 .
P3 F1 1.5951(12) .
P3 F2 1.6030(12) .
P3 F3 1.6034(11) .
P3 F5 1.6058(11) .
P3 F4 1.6073(12) .
C45 C44 1.377(3) .
C45 C40 1.387(4) .
C45 H45 0.9500 .
C44 C43 1.381(4) .
C44 H44 0.9500 .
C43 C42 1.371(4) .
C43 H43 0.9500 .
C41 C40 1.379(4) .
C41 C42 1.393(4) .
C41 H41 0.9500 .
C40 C39 1.514(4) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C42 H42 0.9500 .
C48 C47 1.375(5) .
C48 C49 1.426(7) .
C48 H48 0.9500 .
C47 C48 1.375(5) 2_657
C47 C46 1.526(8) .
C49 C50 1.349(8) .
C49 H49 0.9500 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C50 C49 1.349(8) 2_657
C50 H50 0.9500 .
