#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:15:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178642 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/53/4075341.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_4075341
loop_
_publ_author_name
'Jeon, You-Moon'
'Heo, Jungseok'
'Brown, Aaron M.'
'Mirkin, Chad A.'
_publ_section_title
;
 Triple-Decker Complexes Formed via the Weak Link Approach.
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2729
_journal_page_last               2732
_journal_paper_doi               10.1021/om0602310
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C130 H86 B2 F40 O2 P4 Rh2 S2'
_chemical_formula_weight         2855.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.4010(10)
_cell_angle_beta                 105.7260(10)
_cell_angle_gamma                102.0300(10)
_cell_formula_units_Z            1
_cell_length_a                   12.6015(10)
_cell_length_b                   16.0906(13)
_cell_length_c                   17.2636(14)
_cell_measurement_temperature    153(2)
_cell_volume                     2974.8(4)
_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      153(2)
_diffrn_measured_fraction_theta_full 0.890
_diffrn_measured_fraction_theta_max 0.890
_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  0.1029
_diffrn_reflns_av_sigmaI/netI    0.1098
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28026
_diffrn_reflns_theta_full        28.94
_diffrn_reflns_theta_max         28.94
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.483
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tabular
_exptl_crystal_F_000             1434
_refine_diff_density_max         1.909
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         14003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1260
_reflns_number_gt                9401
_reflns_number_total             14003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0602310si20060321_044602.cif
_cod_data_source_block           Complex-4a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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      P-1
_cod_database_code               4075341
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Rh1 Rh 0.35444(2) 0.188956(16) 0.301889(16) 0.01928(8) Uani 1 1 d .
S1 S 0.33385(7) 0.28989(5) 0.42895(5) 0.02238(17) Uani 1 1 d .
P1 P 0.43731(7) 0.12785(5) 0.38583(5) 0.01957(17) Uani 1 1 d .
P2 P 0.36062(7) 0.09610(5) 0.17328(5) 0.02109(18) Uani 1 1 d .
O1 O 0.27243(19) 0.25177(14) 0.22110(13) 0.0223(5) Uani 1 1 d .
B1 B 0.7558(3) 0.6975(2) 0.2010(2) 0.0209(7) Uani 1 1 d .
F1 F 0.87143(16) 0.72758(12) 0.39672(12) 0.0305(4) Uani 1 1 d .
F2 F 0.85408(18) 0.59378(14) 0.45211(13) 0.0385(5) Uani 1 1 d .
F3 F 0.72186(19) 0.41106(14) 0.33684(15) 0.0429(5) Uani 1 1 d .
F4 F 0.61145(19) 0.36645(13) 0.16174(14) 0.0421(5) Uani 1 1 d .
F5 F 0.62897(17) 0.49945(12) 0.10280(13) 0.0326(5) Uani 1 1 d .
F6 F 0.51085(16) 0.60133(13) 0.19416(13) 0.0317(5) Uani 1 1 d .
F7 F 0.31073(16) 0.60026(13) 0.09507(14) 0.0361(5) Uani 1 1 d .
F8 F 0.30461(17) 0.70164(15) -0.00269(14) 0.0405(5) Uani 1 1 d .
F9 F 0.50902(17) 0.80553(13) 0.00241(13) 0.0350(5) Uani 1 1 d .
F10 F 0.71318(16) 0.80182(12) 0.09549(13) 0.0296(4) Uani 1 1 d .
F11 F 0.69123(16) 0.79372(12) 0.34662(13) 0.0281(4) Uani 1 1 d .
F12 F 0.78101(18) 0.97479(13) 0.46337(14) 0.0399(5) Uani 1 1 d .
F13 F 0.96425(19) 1.09456(13) 0.45700(15) 0.0443(6) Uani 1 1 d .
F14 F 1.05310(19) 1.02720(13) 0.33030(15) 0.0429(6) Uani 1 1 d .
F15 F 0.96778(17) 0.84950(12) 0.21495(13) 0.0342(5) Uani 1 1 d .
F16 F 0.98578(16) 0.68892(13) 0.26276(12) 0.0307(4) Uani 1 1 d .
F17 F 1.11265(16) 0.62911(13) 0.16903(14) 0.0368(5) Uani 1 1 d .
F18 F 1.03730(18) 0.58440(13) -0.00904(14) 0.0377(5) Uani 1 1 d .
F19 F 0.81825(19) 0.57955(14) -0.09344(13) 0.0377(5) Uani 1 1 d .
F20 F 0.68028(16) 0.61979(13) -0.00681(12) 0.0332(5) Uani 1 1 d .
C1 C 0.5442(3) 0.4271(2) 0.4754(2) 0.0274(8) Uani 1 1 d .
H1A H 0.5742 0.3770 0.4580 0.033 Uiso 1 1 calc R
C2 C 0.4288(3) 0.4081(2) 0.4688(2) 0.0218(7) Uani 1 1 d .
C3 C 0.3839(3) 0.4804(2) 0.4926(2) 0.0264(7) Uani 1 1 d .
H3A H 0.3044 0.4670 0.4870 0.032 Uiso 1 1 calc R
C4 C 0.4047(3) 0.2601(2) 0.5184(2) 0.0288(8) Uani 1 1 d .
H4A H 0.4894 0.2968 0.5465 0.035 Uiso 1 1 calc R
H4B H 0.3705 0.2760 0.5646 0.035 Uiso 1 1 calc R
C5 C 0.3870(3) 0.1556(2) 0.4796(2) 0.0251(7) Uani 1 1 d .
H5A H 0.3032 0.1186 0.4585 0.030 Uiso 1 1 calc R
H5B H 0.4324 0.1397 0.5256 0.030 Uiso 1 1 calc R
C6 C 0.5966(3) 0.1778(2) 0.4397(2) 0.0233(7) Uani 1 1 d .
C7 C 0.6573(3) 0.2310(2) 0.4071(2) 0.0270(7) Uani 1 1 d .
H7A H 0.6160 0.2403 0.3577 0.032 Uiso 1 1 calc R
C8 C 0.7789(3) 0.2706(3) 0.4468(3) 0.0377(9) Uani 1 1 d .
H8A H 0.8204 0.3070 0.4245 0.045 Uiso 1 1 calc R
C9 C 0.8391(3) 0.2571(3) 0.5185(3) 0.0378(9) Uani 1 1 d .
H9A H 0.9219 0.2842 0.5454 0.045 Uiso 1 1 calc R
C10 C 0.7792(3) 0.2040(2) 0.5514(2) 0.0343(8) Uani 1 1 d .
H10A H 0.8210 0.1944 0.6005 0.041 Uiso 1 1 calc R
C11 C 0.6589(3) 0.1652(2) 0.5125(2) 0.0292(8) Uani 1 1 d .
H11A H 0.6180 0.1294 0.5355 0.035 Uiso 1 1 calc R
C12 C 0.4043(3) 0.0010(2) 0.3435(2) 0.0226(7) Uani 1 1 d .
C13 C 0.4892(3) -0.0426(2) 0.3449(2) 0.0281(7) Uani 1 1 d .
H13A H 0.5698 -0.0055 0.3739 0.034 Uiso 1 1 calc R
C14 C 0.4564(3) -0.1397(2) 0.3043(2) 0.0303(8) Uani 1 1 d .
H14A H 0.5146 -0.1689 0.3050 0.036 Uiso 1 1 calc R
C15 C 0.3391(3) -0.1945(2) 0.2627(2) 0.0316(8) Uani 1 1 d .
H15A H 0.3167 -0.2612 0.2344 0.038 Uiso 1 1 calc R
C16 C 0.2545(3) -0.1515(2) 0.2625(3) 0.0353(9) Uani 1 1 d .
H16A H 0.1739 -0.1889 0.2348 0.042 Uiso 1 1 calc R
C17 C 0.2865(3) -0.0556(2) 0.3020(2) 0.0279(7) Uani 1 1 d .
H17A H 0.2278 -0.0269 0.3013 0.033 Uiso 1 1 calc R
C18 C 0.2269(3) 0.3255(2) 0.2506(2) 0.0244(7) Uani 1 1 d .
C19 C 0.2922(3) 0.4142(2) 0.2647(2) 0.0266(7) Uani 1 1 d .
C20 C 0.2463(3) 0.4866(2) 0.2913(2) 0.0314(8) Uani 1 1 d .
C21 C 0.1457(3) 0.4690(3) 0.3088(2) 0.0387(9) Uani 1 1 d .
H21A H 0.1172 0.5194 0.3291 0.046 Uiso 1 1 calc R
C22 C 0.0841(3) 0.3810(3) 0.2982(3) 0.0403(9) Uani 1 1 d .
C23 C 0.1245(3) 0.3052(2) 0.2666(2) 0.0306(8) Uani 1 1 d .
C24 C 0.4056(3) 0.4302(3) 0.2500(3) 0.0373(9) Uani 1 1 d .
H24A H 0.4227 0.3712 0.2321 0.056 Uiso 1 1 calc R
H24B H 0.4689 0.4780 0.3053 0.056 Uiso 1 1 calc R
H24C H 0.3990 0.4517 0.2029 0.056 Uiso 1 1 calc R
C25 C 0.3049(4) 0.5833(2) 0.3002(3) 0.0467(11) Uani 1 1 d .
H25A H 0.2606 0.6245 0.3191 0.070 Uiso 1 1 calc R
H25B H 0.3075 0.5785 0.2426 0.070 Uiso 1 1 calc R
H25C H 0.3849 0.6095 0.3448 0.070 Uiso 1 1 calc R
C26 C -0.0245(4) 0.3678(4) 0.3204(4) 0.0656(14) Uani 1 1 d .
H26A H -0.0390 0.4278 0.3409 0.098 Uiso 1 1 calc R
H26B H -0.0132 0.3462 0.3677 0.098 Uiso 1 1 calc R
H26C H -0.0917 0.3208 0.2672 0.098 Uiso 1 1 calc R
C27 C 0.0599(3) 0.2069(3) 0.2512(3) 0.0404(9) Uani 1 1 d .
H27A H 0.1018 0.1646 0.2298 0.061 Uiso 1 1 calc R
H27B H -0.0194 0.1847 0.2066 0.061 Uiso 1 1 calc R
H27C H 0.0554 0.2079 0.3073 0.061 Uiso 1 1 calc R
C28 C 0.2382(3) 0.2045(2) 0.1246(2) 0.0295(8) Uani 1 1 d .
H28A H 0.2319 0.2500 0.0984 0.035 Uiso 1 1 calc R
H28B H 0.1614 0.1538 0.0975 0.035 Uiso 1 1 calc R
C29 C 0.3320(3) 0.1638(2) 0.1075(2) 0.0287(8) Uani 1 1 d .
H29A H 0.4048 0.2153 0.1246 0.034 Uiso 1 1 calc R
H29B H 0.3061 0.1222 0.0433 0.034 Uiso 1 1 calc R
C30 C 0.2454(3) -0.0180(2) 0.1024(2) 0.0246(7) Uani 1 1 d .
C31 C 0.1432(3) -0.0367(3) 0.1187(2) 0.0322(8) Uani 1 1 d .
H31A H 0.1363 0.0084 0.1684 0.039 Uiso 1 1 calc R
C32 C 0.0507(3) -0.1206(3) 0.0635(2) 0.0390(9) Uani 1 1 d .
H32A H -0.0192 -0.1323 0.0751 0.047 Uiso 1 1 calc R
C33 C 0.0608(3) -0.1869(2) -0.0084(2) 0.0372(9) Uani 1 1 d .
H33A H -0.0016 -0.2448 -0.0457 0.045 Uiso 1 1 calc R
C34 C 0.1611(3) -0.1688(2) -0.0257(2) 0.0343(8) Uani 1 1 d .
H34A H 0.1677 -0.2141 -0.0753 0.041 Uiso 1 1 calc R
C35 C 0.2533(3) -0.0845(2) 0.0290(2) 0.0312(8) Uani 1 1 d .
H35A H 0.3220 -0.0723 0.0160 0.037 Uiso 1 1 calc R
C36 C 0.4961(3) 0.0756(2) 0.1708(2) 0.0241(7) Uani 1 1 d .
C37 C 0.5877(3) 0.1441(3) 0.1722(2) 0.0361(9) Uani 1 1 d .
H37A H 0.5755 0.1978 0.1653 0.043 Uiso 1 1 calc R
C38 C 0.6954(3) 0.1324(3) 0.1837(3) 0.0486(11) Uani 1 1 d .
H38A H 0.7568 0.1782 0.1839 0.058 Uiso 1 1 calc R
C39 C 0.7163(4) 0.0557(3) 0.1950(3) 0.0494(11) Uani 1 1 d .
H39A H 0.7913 0.0492 0.2033 0.059 Uiso 1 1 calc R
C40 C 0.6280(3) -0.0106(3) 0.1942(3) 0.0409(10) Uani 1 1 d .
H40A H 0.6416 -0.0632 0.2029 0.049 Uiso 1 1 calc R
C41 C 0.5183(3) -0.0014(2) 0.1807(2) 0.0315(8) Uani 1 1 d .
H41A H 0.4569 -0.0491 0.1781 0.038 Uiso 1 1 calc R
C42 C 0.7471(3) 0.6220(2) 0.2466(2) 0.0232(7) Uani 1 1 d .
C43 C 0.8026(3) 0.6394(2) 0.3341(2) 0.0240(7) Uani 1 1 d .
C44 C 0.7956(3) 0.5712(2) 0.3655(2) 0.0287(7) Uani 1 1 d .
C45 C 0.7310(3) 0.4789(2) 0.3074(2) 0.0309(8) Uani 1 1 d .
C46 C 0.6760(3) 0.4569(2) 0.2195(2) 0.0305(8) Uani 1 1 d .
C47 C 0.6853(3) 0.5271(2) 0.1907(2) 0.0259(7) Uani 1 1 d .
C48 C 0.6246(3) 0.6974(2) 0.1465(2) 0.0218(7) Uani 1 1 d .
C49 C 0.5176(3) 0.6506(2) 0.1451(2) 0.0231(7) Uani 1 1 d .
C50 C 0.4114(3) 0.6504(2) 0.0957(2) 0.0257(7) Uani 1 1 d .
C51 C 0.4068(3) 0.7014(2) 0.0463(2) 0.0286(7) Uani 1 1 d .
C52 C 0.5113(3) 0.7533(2) 0.0484(2) 0.0259(7) Uani 1 1 d .
C53 C 0.6144(3) 0.7495(2) 0.0975(2) 0.0234(7) Uani 1 1 d .
C54 C 0.8245(3) 0.8095(2) 0.2749(2) 0.0209(6) Uani 1 1 d .
C55 C 0.7834(3) 0.8501(2) 0.3402(2) 0.0225(7) Uani 1 1 d .
C56 C 0.8263(3) 0.9421(2) 0.4008(2) 0.0275(7) Uani 1 1 d .
C57 C 0.9185(3) 1.0033(2) 0.3983(2) 0.0302(8) Uani 1 1 d .
C58 C 0.9637(3) 0.9685(2) 0.3350(2) 0.0288(8) Uani 1 1 d .
C59 C 0.9167(3) 0.8743(2) 0.2751(2) 0.0246(7) Uani 1 1 d .
C60 C 0.8268(3) 0.6613(2) 0.1347(2) 0.0220(7) Uani 1 1 d .
C61 C 0.9377(3) 0.6593(2) 0.1727(2) 0.0253(7) Uani 1 1 d .
C62 C 1.0074(3) 0.6315(2) 0.1265(2) 0.0268(7) Uani 1 1 d .
C63 C 0.9684(3) 0.6067(2) 0.0370(2) 0.0275(8) Uani 1 1 d .
C64 C 0.8590(3) 0.6055(2) -0.0047(2) 0.0271(7) Uani 1 1 d .
C65 C 0.7891(3) 0.6294(2) 0.0433(2) 0.0238(7) 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'
B B 0.0013 0.0007 '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_3
O1 Rh1 P1 178.84(6) .
O1 Rh1 P2 82.49(6) .
P1 Rh1 P2 98.66(3) .
O1 Rh1 S1 92.40(6) .
P1 Rh1 S1 86.46(3) .
P2 Rh1 S1 174.56(3) .
C2 S1 C4 100.34(15) .
C2 S1 Rh1 110.55(10) .
C4 S1 Rh1 105.05(10) .
C12 P1 C6 105.07(14) .
C12 P1 C5 102.73(14) .
C6 P1 C5 103.92(15) .
C12 P1 Rh1 120.60(11) .
C6 P1 Rh1 116.06(11) .
C5 P1 Rh1 106.46(11) .
C36 P2 C30 105.52(15) .
C36 P2 C29 106.15(15) .
C30 P2 C29 102.38(15) .
C36 P2 Rh1 119.70(11) .
C30 P2 Rh1 119.63(11) .
C29 P2 Rh1 101.09(10) .
C18 O1 C28 114.6(2) .
C18 O1 Rh1 125.45(18) .
C28 O1 Rh1 118.73(17) .
C60 B1 C42 103.1(2) .
C60 B1 C48 112.9(3) .
C42 B1 C48 112.3(3) .
C60 B1 C54 111.8(2) .
C42 B1 C54 113.9(3) .
C48 B1 C54 103.2(2) .
C2 C1 C3 120.0(3) 2_666
C3 C2 C1 120.4(3) .
C3 C2 S1 118.3(2) .
C1 C2 S1 121.3(2) .
C2 C3 C1 119.6(3) 2_666
C5 C4 S1 109.2(2) .
C4 C5 P1 107.8(2) .
C7 C6 C11 119.1(3) .
C7 C6 P1 118.5(3) .
C11 C6 P1 122.4(2) .
C6 C7 C8 120.0(3) .
C9 C8 C7 120.0(3) .
C8 C9 C10 120.4(3) .
C11 C10 C9 119.7(3) .
C10 C11 C6 120.8(3) .
C17 C12 C13 118.5(3) .
C17 C12 P1 117.5(2) .
C13 C12 P1 123.9(2) .
C14 C13 C12 120.2(3) .
C13 C14 C15 120.3(3) .
C14 C15 C16 119.6(3) .
C17 C16 C15 120.3(3) .
C16 C17 C12 121.0(3) .
C23 C18 C19 125.0(3) .
C23 C18 O1 118.5(3) .
C19 C18 O1 116.5(3) .
C18 C19 C20 116.9(3) .
C18 C19 C24 121.1(3) .
C20 C19 C24 122.0(3) .
C21 C20 C19 119.2(3) .
C21 C20 C25 119.8(3) .
C19 C20 C25 120.9(3) .
C20 C21 C22 123.1(3) .
C21 C22 C23 119.0(3) .
C21 C22 C26 119.9(4) .
C23 C22 C26 121.2(4) .
C18 C23 C22 116.6(3) .
C18 C23 C27 121.7(3) .
C22 C23 C27 121.8(3) .
O1 C28 C29 107.1(3) .
C28 C29 P2 109.5(2) .
C31 C30 C35 118.6(3) .
C31 C30 P2 119.1(2) .
C35 C30 P2 122.2(2) .
C30 C31 C32 121.0(3) .
C33 C32 C31 119.7(3) .
C34 C33 C32 119.8(3) .
C33 C34 C35 120.5(3) .
C30 C35 C34 120.3(3) .
C41 C36 C37 118.1(3) .
C41 C36 P2 120.3(2) .
C37 C36 P2 120.9(3) .
C38 C37 C36 119.2(4) .
C37 C38 C39 121.7(4) .
C40 C39 C38 119.2(4) .
C39 C40 C41 120.1(4) .
C36 C41 C40 121.6(3) .
C43 C42 C47 113.4(3) .
C43 C42 B1 128.1(3) .
C47 C42 B1 118.2(3) .
F1 C43 C42 121.1(3) .
F1 C43 C44 114.5(3) .
C42 C43 C44 124.3(3) .
F2 C44 C45 119.7(3) .
F2 C44 C43 120.7(3) .
C45 C44 C43 119.5(3) .
F3 C45 C46 120.6(3) .
F3 C45 C44 120.6(3) .
C46 C45 C44 118.8(3) .
F4 C46 C45 119.4(3) .
F4 C46 C47 120.7(3) .
C45 C46 C47 119.9(3) .
F5 C47 C46 116.1(3) .
F5 C47 C42 119.9(3) .
C46 C47 C42 123.9(3) .
C53 C48 C49 112.8(3) .
C53 C48 B1 120.2(3) .
C49 C48 B1 126.9(3) .
F6 C49 C50 114.6(3) .
F6 C49 C48 121.4(3) .
C50 C49 C48 124.0(3) .
F7 C50 C51 119.1(3) .
F7 C50 C49 120.7(3) .
C51 C50 C49 120.2(3) .
F8 C51 C50 121.2(3) .
F8 C51 C52 120.4(3) .
C50 C51 C52 118.3(3) .
F9 C52 C53 121.7(3) .
F9 C52 C51 119.4(3) .
C53 C52 C51 118.9(3) .
F10 C53 C52 115.3(3) .
F10 C53 C48 119.2(3) .
C52 C53 C48 125.5(3) .
C55 C54 C59 112.3(3) .
C55 C54 B1 120.2(3) .
C59 C54 B1 127.2(3) .
C56 C55 F11 115.6(3) .
C56 C55 C54 126.2(3) .
F11 C55 C54 118.2(3) .
F12 C56 C55 121.8(3) .
F12 C56 C57 119.2(3) .
C55 C56 C57 119.0(3) .
F13 C57 C58 120.6(3) .
F13 C57 C56 121.2(3) .
C58 C57 C56 118.2(3) .
F14 C58 C57 119.5(3) .
F14 C58 C59 120.2(3) .
C57 C58 C59 120.3(3) .
F15 C59 C58 114.4(3) .
F15 C59 C54 121.8(3) .
C58 C59 C54 123.9(3) .
C65 C60 C61 113.2(3) .
C65 C60 B1 128.5(3) .
C61 C60 B1 118.3(3) .
F16 C61 C62 115.7(3) .
F16 C61 C60 119.4(3) .
C62 C61 C60 124.9(3) .
F17 C62 C63 120.4(3) .
F17 C62 C61 120.5(3) .
C63 C62 C61 119.1(3) .
F18 C63 C64 120.7(3) .
F18 C63 C62 120.5(3) .
C64 C63 C62 118.8(3) .
F19 C64 C63 119.6(3) .
F19 C64 C65 120.0(3) .
C63 C64 C65 120.4(3) .
F20 C65 C60 122.3(3) .
F20 C65 C64 114.4(3) .
C60 C65 C64 123.3(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O1 2.161(2) .
Rh1 P1 2.1814(9) .
Rh1 P2 2.2356(8) .
Rh1 S1 2.3488(8) .
S1 C2 1.793(3) .
S1 C4 1.832(3) .
P1 C12 1.820(3) .
P1 C6 1.826(3) .
P1 C5 1.842(3) .
P2 C36 1.814(3) .
P2 C30 1.827(3) .
P2 C29 1.847(3) .
O1 C18 1.420(3) .
O1 C28 1.460(4) .
B1 C60 1.661(4) .
B1 C42 1.663(5) .
B1 C48 1.665(5) .
B1 C54 1.665(4) .
F1 C43 1.358(3) .
F2 C44 1.349(4) .
F3 C45 1.352(4) .
F4 C46 1.353(4) .
F5 C47 1.348(4) .
F6 C49 1.353(4) .
F7 C50 1.349(3) .
F8 C51 1.337(4) .
F9 C52 1.342(4) .
F10 C53 1.366(3) .
F11 C55 1.372(3) .
F12 C56 1.354(4) .
F13 C57 1.345(4) .
F14 C58 1.353(4) .
F15 C59 1.354(3) .
F16 C61 1.365(4) .
F17 C62 1.346(4) .
F18 C63 1.349(3) .
F19 C64 1.351(4) .
F20 C65 1.352(4) .
C1 C2 1.386(4) .
C1 C3 1.390(4) 2_666
C2 C3 1.383(4) .
C3 C1 1.390(4) 2_666
C4 C5 1.518(4) .
C6 C7 1.389(4) .
C6 C11 1.395(5) .
C7 C8 1.394(5) .
C8 C9 1.378(5) .
C9 C10 1.387(5) .
C10 C11 1.379(5) .
C12 C17 1.396(4) .
C12 C13 1.396(4) .
C13 C14 1.383(4) .
C14 C15 1.385(5) .
C15 C16 1.387(5) .
C16 C17 1.367(4) .
C18 C23 1.388(4) .
C18 C19 1.390(4) .
C19 C20 1.399(4) .
C19 C24 1.504(5) .
C20 C21 1.377(5) .
C20 C25 1.509(5) .
C21 C22 1.387(5) .
C22 C23 1.410(5) .
C22 C26 1.512(5) .
C23 C27 1.513(5) .
C28 C29 1.514(5) .
C30 C31 1.387(4) .
C30 C35 1.388(4) .
C31 C32 1.390(5) .
C32 C33 1.384(5) .
C33 C34 1.373(5) .
C34 C35 1.391(5) .
C36 C41 1.380(4) .
C36 C37 1.409(4) .
C37 C38 1.380(5) .
C38 C39 1.380(6) .
C39 C40 1.365(5) .
C40 C41 1.387(5) .
C42 C43 1.378(5) .
C42 C47 1.392(4) .
C43 C44 1.382(5) .
C44 C45 1.375(5) .
C45 C46 1.364(5) .
C46 C47 1.380(5) .
C48 C53 1.384(4) .
C48 C49 1.391(4) .
C49 C50 1.377(5) .
C50 C51 1.374(5) .
C51 C52 1.388(5) .
C52 C53 1.372(5) .
C54 C55 1.383(4) .
C54 C59 1.388(4) .
C55 C56 1.363(4) .
C56 C57 1.379(5) .
C57 C58 1.368(5) .
C58 C59 1.386(4) .
C60 C65 1.380(4) .
C60 C61 1.386(4) .
C61 C62 1.379(4) .
C62 C63 1.366(5) .
C63 C64 1.364(5) .
C64 C65 1.388(4) .
