#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:08:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179314 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/11/4321195.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_4321195
loop_
_publ_author_name
'Felicia M. Dixon'
'Adam H. Eisenberg'
'Joshua R. Farrell'
'Chad A. Mirkin'
'Louise M. Liable-Sands'
'Arnold L. Rheingold'
_publ_contact_author
; 
     Dr. C.A. Mirkin 
     Department of Chemistry 
     Northwestern University 
     2145 Sheridan Road 
     Evanston, Il  60208-3113 (USA) 
;
_publ_contact_author_email       camirkin@chem.nwu.edu
_publ_contact_author_fax         '+(847) 467-5123'
_publ_contact_author_phone       '+847 491 2907'
_publ_section_title
;
 Neutral Macrocycles via Halide-Induced Ring Opening of Binuclear
 Condensed Intermediates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3432
_journal_page_last               3433
_journal_paper_doi               10.1021/ic000062q
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C126 H88 B2 F40 P4 Rh2 S4'
_chemical_formula_weight         2841.52
_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                91.9086(9)
_cell_angle_beta                 102.4122(7)
_cell_angle_gamma                96.2327(5)
_cell_formula_units_Z            1
_cell_length_a                   12.1280(2)
_cell_length_b                   15.7693(2)
_cell_length_c                   16.0488(2)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     2974.80(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.858
_diffrn_measured_fraction_theta_max 0.858
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0568
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21618
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.9797
_exptl_absorpt_correction_T_min  0.8204
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       0.0000(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.431
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         12720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.431
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0696
_refine_ls_shift/su_max          2.332
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1915
_refine_ls_wR_factor_ref         0.2152
_reflns_number_gt                10051
_reflns_number_total             12720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000062q_1.cif
_cod_data_source_block           mir24
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2974.80(6)
_cod_database_code               4321195
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.98217(3) 0.68764(2) -0.31381(2) 0.02424(14) Uani 1 1 d . . .
S1 S 0.96211(11) 0.54323(8) -0.28162(8) 0.0314(3) Uani 1 1 d . . .
S2 S 1.14821(10) 0.66999(8) -0.36230(8) 0.0293(3) Uani 1 1 d . . .
P1 P 0.83481(11) 0.69967(8) -0.25187(8) 0.0276(3) Uani 1 1 d . . .
P2 P 1.01563(10) 0.82669(7) -0.34101(8) 0.0260(3) Uani 1 1 d . . .
C1 C 0.8194(5) 0.6045(3) -0.1894(3) 0.0372(12) Uani 1 1 d . . .
H1A H 0.8782 0.6113 -0.1355 0.045 Uiso 1 1 calc R . .
H1B H 0.7439 0.5988 -0.1747 0.045 Uiso 1 1 calc R . .
C2 C 0.8319(5) 0.5247(3) -0.2405(4) 0.0400(13) Uani 1 1 d . . .
H2A H 0.7651 0.5113 -0.2886 0.048 Uiso 1 1 calc R . .
H2B H 0.8362 0.4755 -0.2036 0.048 Uiso 1 1 calc R . .
C3 C 0.8222(4) 0.4793(3) -0.4375(3) 0.0263(10) Uani 1 1 d . . .
H3A H 0.7663 0.5119 -0.4238 0.032 Uiso 1 1 calc R . .
C4 C 0.9260(4) 0.4789(3) -0.3802(3) 0.0292(10) Uani 1 1 d . . .
C5 C 1.0070(4) 0.4309(3) -0.3980(3) 0.0285(10) Uani 1 1 d . . .
H5A H 1.0757 0.4286 -0.3569 0.034 Uiso 1 1 calc R . .
C6 C 1.1058(5) 0.8290(3) -0.4199(3) 0.0362(12) Uani 1 1 d . . .
H6A H 1.0606 0.8047 -0.4761 0.043 Uiso 1 1 calc R . .
H6B H 1.1361 0.8887 -0.4265 0.043 Uiso 1 1 calc R . .
C7 C 1.2027(4) 0.7770(3) -0.3885(3) 0.0336(11) Uani 1 1 d . . .
H7A H 1.2543 0.8067 -0.3371 0.040 Uiso 1 1 calc R . .
H7B H 1.2467 0.7715 -0.4333 0.040 Uiso 1 1 calc R . .
C8 C 1.0125(4) 0.6148(3) -0.5225(3) 0.0298(10) Uani 1 1 d . . .
H8A H 0.9555 0.6457 -0.5079 0.036 Uiso 1 1 calc R . .
C9 C 1.1164(4) 0.6142(3) -0.4654(3) 0.0246(9) Uani 1 1 d . . .
C10 C 1.1991(4) 0.5680(3) -0.4856(3) 0.0290(10) Uani 1 1 d . . .
H10A H 1.2703 0.5689 -0.4465 0.035 Uiso 1 1 calc R . .
C11 C 0.9411(5) 0.7904(4) -0.1008(4) 0.0474(15) Uani 1 1 d . . .
H11A H 0.9950 0.7506 -0.0981 0.057 Uiso 1 1 calc R . .
C12 C 0.9561(6) 0.8552(5) -0.0376(4) 0.0602(19) Uani 1 1 d . . .
H12A H 1.0202 0.8585 0.0088 0.072 Uiso 1 1 calc R . .
C13 C 0.8822(6) 0.9139(4) -0.0401(4) 0.0571(18) Uani 1 1 d . . .
H13A H 0.8958 0.9587 0.0032 0.069 Uiso 1 1 calc R . .
C14 C 0.7864(5) 0.9086(4) -0.1064(4) 0.0541(18) Uani 1 1 d . . .
H14A H 0.7339 0.9495 -0.1086 0.065 Uiso 1 1 calc R . .
C15 C 0.7681(5) 0.8419(4) -0.1702(4) 0.0427(14) Uani 1 1 d . . .
H15A H 0.7015 0.8369 -0.2146 0.051 Uiso 1 1 calc R . .
C16 C 0.8451(4) 0.7841(3) -0.1691(3) 0.0334(11) Uani 1 1 d . . .
C21 C 0.5949(4) 0.6868(3) -0.2964(3) 0.0342(11) Uani 1 1 d . . .
H21A H 0.5960 0.6807 -0.2376 0.041 Uiso 1 1 calc R . .
C22 C 0.4909(5) 0.6845(4) -0.3556(4) 0.0440(14) Uani 1 1 d . . .
H22A H 0.4219 0.6765 -0.3364 0.053 Uiso 1 1 calc R . .
C23 C 0.4877(5) 0.6935(4) -0.4396(4) 0.0498(16) Uani 1 1 d . . .
H23A H 0.4165 0.6912 -0.4789 0.060 Uiso 1 1 calc R . .
C24 C 0.5873(5) 0.7060(5) -0.4686(4) 0.0561(18) Uani 1 1 d . . .
H24A H 0.5844 0.7137 -0.5274 0.067 Uiso 1 1 calc R . .
C25 C 0.6923(5) 0.7073(4) -0.4114(4) 0.0433(14) Uani 1 1 d . . .
H25A H 0.7606 0.7144 -0.4317 0.052 Uiso 1 1 calc R . .
C26 C 0.6970(4) 0.6983(3) -0.3241(3) 0.0278(10) Uani 1 1 d . . .
C31 C 1.1294(4) 0.9822(3) -0.2563(3) 0.0320(11) Uani 1 1 d . . .
H31A H 1.0944 1.0097 -0.3051 0.038 Uiso 1 1 calc R . .
C32 C 1.2039(4) 1.0299(3) -0.1883(4) 0.0366(12) Uani 1 1 d . . .
H32A H 1.2196 1.0900 -0.1912 0.044 Uiso 1 1 calc R . .
C33 C 1.2553(4) 0.9906(3) -0.1166(3) 0.0360(12) Uani 1 1 d . . .
H33A H 1.3037 1.0236 -0.0695 0.043 Uiso 1 1 calc R . .
C34 C 1.2356(5) 0.9039(3) -0.1144(3) 0.0378(12) Uani 1 1 d . . .
H34A H 1.2738 0.8765 -0.0666 0.045 Uiso 1 1 calc R . .
C35 C 1.1599(4) 0.8544(3) -0.1814(3) 0.0340(11) Uani 1 1 d . . .
H35A H 1.1456 0.7943 -0.1780 0.041 Uiso 1 1 calc R . .
C36 C 1.1063(4) 0.8935(3) -0.2524(3) 0.0273(10) Uani 1 1 d . . .
C41 C 0.8546(5) 0.8845(4) -0.4735(4) 0.0477(15) Uani 1 1 d . . .
H41A H 0.8871 0.8526 -0.5113 0.057 Uiso 1 1 calc R . .
C42 C 0.7618(5) 0.9267(5) -0.5050(4) 0.0594(18) Uani 1 1 d . . .
H42A H 0.7315 0.9241 -0.5649 0.071 Uiso 1 1 calc R . .
C43 C 0.7122(6) 0.9723(4) -0.4514(4) 0.0570(17) Uani 1 1 d . . .
H43A H 0.6474 1.0001 -0.4738 0.068 Uiso 1 1 calc R . .
C44 C 0.7582(5) 0.9772(4) -0.3647(4) 0.0512(16) Uani 1 1 d . . .
H44A H 0.7247 1.0085 -0.3271 0.061 Uiso 1 1 calc R . .
C45 C 0.8529(4) 0.9367(3) -0.3322(3) 0.0358(12) Uani 1 1 d . . .
H45A H 0.8853 0.9422 -0.2726 0.043 Uiso 1 1 calc R . .
C46 C 0.9007(4) 0.8889(3) -0.3850(3) 0.0317(11) Uani 1 1 d . . .
B1 B 1.4113(5) 0.7944(4) 0.1869(4) 0.0305(12) Uani 1 1 d . . .
F51 F 1.1931(3) 0.7020(2) 0.0649(2) 0.0488(9) Uani 1 1 d . . .
F52 F 1.1788(3) 0.6433(2) -0.0935(3) 0.0666(12) Uani 1 1 d . . .
F53 F 1.3640(4) 0.6572(3) -0.1650(2) 0.0708(12) Uani 1 1 d . . .
F54 F 1.5683(3) 0.7347(2) -0.0701(2) 0.0572(10) Uani 1 1 d . . .
F55 F 1.5830(3) 0.80107(19) 0.0877(2) 0.0410(7) Uani 1 1 d . . .
F61 F 1.4288(3) 0.92980(17) 0.05549(17) 0.0365(7) Uani 1 1 d . . .
F62 F 1.4899(3) 1.09341(18) 0.0888(2) 0.0412(7) Uani 1 1 d . . .
F63 F 1.5576(3) 1.16139(19) 0.2524(2) 0.0527(9) Uani 1 1 d . . .
F64 F 1.5615(3) 1.0549(2) 0.3839(2) 0.0609(11) Uani 1 1 d . . .
F65 F 1.4966(3) 0.8872(2) 0.35248(18) 0.0451(8) Uani 1 1 d . . .
F71 F 1.6663(3) 0.8280(2) 0.2819(2) 0.0450(8) Uani 1 1 d . . .
F72 F 1.7895(3) 0.7102(3) 0.3496(3) 0.0773(13) Uani 1 1 d . . .
F73 F 1.7025(4) 0.5425(3) 0.3370(4) 0.119(2) Uani 1 1 d . . .
F74 F 1.4788(4) 0.4966(3) 0.2573(4) 0.110(2) Uani 1 1 d . . .
F75 F 1.3493(3) 0.6146(2) 0.1945(3) 0.0622(11) Uani 1 1 d . . .
F81 F 1.3518(3) 0.7205(3) 0.3503(2) 0.0577(10) Uani 1 1 d . . .
F82 F 1.1725(4) 0.7467(3) 0.4090(2) 0.0639(11) Uani 1 1 d . . .
F83 F 1.0084(3) 0.8350(3) 0.3213(3) 0.0621(10) Uani 1 1 d . . .
F84 F 1.0331(3) 0.9001(2) 0.1692(2) 0.0549(9) Uani 1 1 d . . .
F85 F 1.2163(2) 0.87597(19) 0.10806(17) 0.0351(7) Uani 1 1 d . . .
C51 C 1.2904(5) 0.7145(3) 0.0343(4) 0.0355(12) Uani 1 1 d . . .
C52 C 1.2815(6) 0.6821(3) -0.0487(4) 0.0451(15) Uani 1 1 d . . .
C53 C 1.3722(6) 0.6889(4) -0.0842(4) 0.0477(15) Uani 1 1 d . . .
C54 C 1.4765(6) 0.7286(3) -0.0370(4) 0.0441(14) Uani 1 1 d . . .
C55 C 1.4813(5) 0.7609(3) 0.0451(4) 0.0376(12) Uani 1 1 d . . .
C56 C 1.3899(4) 0.7577(3) 0.0856(3) 0.0301(11) Uani 1 1 d . . .
C61 C 1.4625(4) 0.9553(3) 0.1388(3) 0.0294(10) Uani 1 1 d . . .
C62 C 1.4936(4) 1.0428(3) 0.1549(3) 0.0302(10) Uani 1 1 d . . .
C63 C 1.5270(5) 1.0765(3) 0.2367(4) 0.0389(13) Uani 1 1 d . . .
C64 C 1.5298(5) 1.0231(4) 0.3024(3) 0.0397(13) Uani 1 1 d . . .
C65 C 1.4958(4) 0.9355(4) 0.2846(3) 0.0355(12) Uani 1 1 d . . .
C66 C 1.4615(4) 0.8971(3) 0.2025(3) 0.0252(10) Uani 1 1 d . . .
C71 C 1.6125(5) 0.7478(4) 0.2762(4) 0.0385(12) Uani 1 1 d . . .
C72 C 1.6811(5) 0.6862(5) 0.3117(5) 0.0572(18) Uani 1 1 d . . .
C73 C 1.6372(6) 0.6029(5) 0.3054(6) 0.080(3) Uani 1 1 d . . .
C74 C 1.5232(6) 0.5805(4) 0.2660(6) 0.072(2) Uani 1 1 d . . .
C75 C 1.4579(5) 0.6426(4) 0.2320(5) 0.0510(16) Uani 1 1 d . . .
C76 C 1.4982(4) 0.7290(3) 0.2362(3) 0.0334(11) Uani 1 1 d . . .
C81 C 1.2766(5) 0.7647(4) 0.3006(4) 0.0411(13) Uani 1 1 d . . .
C82 C 1.1820(6) 0.7770(4) 0.3328(4) 0.0469(15) Uani 1 1 d . . .
C83 C 1.0975(5) 0.8216(4) 0.2883(4) 0.0471(15) Uani 1 1 d . . .
C84 C 1.1125(5) 0.8537(4) 0.2129(4) 0.0409(13) Uani 1 1 d . . .
C85 C 1.2072(5) 0.8404(3) 0.1834(3) 0.0359(12) Uani 1 1 d . . .
C86 C 1.2946(4) 0.7947(3) 0.2236(3) 0.0332(11) 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'
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
P1 Rh1 P2 97.36(5) . . ?
P1 Rh1 S2 172.96(5) . . ?
P2 Rh1 S2 85.80(5) . . ?
P1 Rh1 S1 85.63(5) . . ?
P2 Rh1 S1 175.72(5) . . ?
S2 Rh1 S1 90.89(5) . . ?
C4 S1 C2 102.4(2) . . ?
C4 S1 Rh1 108.31(16) . . ?
C2 S1 Rh1 106.95(19) . . ?
C9 S2 C7 101.0(2) . . ?
C9 S2 Rh1 111.60(16) . . ?
C7 S2 Rh1 105.72(18) . . ?
C26 P1 C16 107.1(2) . . ?
C26 P1 C1 104.4(2) . . ?
C16 P1 C1 100.2(2) . . ?
C26 P1 Rh1 115.91(17) . . ?
C16 P1 Rh1 119.82(17) . . ?
C1 P1 Rh1 107.18(19) . . ?
C36 P2 C46 105.5(2) . . ?
C36 P2 C6 101.7(2) . . ?
C46 P2 C6 105.2(3) . . ?
C36 P2 Rh1 114.66(17) . . ?
C46 P2 Rh1 121.93(16) . . ?
C6 P2 Rh1 105.63(17) . . ?
C2 C1 P1 110.4(4) . . ?
C1 C2 S1 108.9(3) . . ?
C10 C3 C4 119.5(4) 2_764 . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 S1 117.0(4) . . ?
C3 C4 S1 121.8(4) . . ?
C4 C5 C8 119.5(4) . 2_764 ?
C7 C6 P2 108.3(4) . . ?
C6 C7 S2 110.7(3) . . ?
C9 C8 C5 119.0(5) . 2_764 ?
C10 C9 C8 120.8(4) . . ?
C10 C9 S2 117.2(3) . . ?
C8 C9 S2 122.0(4) . . ?
C3 C10 C9 119.9(4) 2_764 . ?
C12 C11 C16 119.4(6) . . ?
C13 C12 C11 121.9(6) . . ?
C12 C13 C14 119.8(6) . . ?
C13 C14 C15 119.1(6) . . ?
C16 C15 C14 121.0(5) . . ?
C15 C16 C11 118.7(5) . . ?
C15 C16 P1 124.7(4) . . ?
C11 C16 P1 116.5(4) . . ?
C26 C21 C22 119.9(5) . . ?
C23 C22 C21 120.9(6) . . ?
C22 C23 C24 120.4(5) . . ?
C23 C24 C25 120.1(6) . . ?
C24 C25 C26 120.1(5) . . ?
C21 C26 C25 118.6(5) . . ?
C21 C26 P1 122.6(4) . . ?
C25 C26 P1 118.8(4) . . ?
C32 C31 C36 119.9(5) . . ?
C33 C32 C31 120.6(5) . . ?
C34 C33 C32 119.2(4) . . ?
C33 C34 C35 121.3(5) . . ?
C36 C35 C34 119.7(5) . . ?
C35 C36 C31 119.1(4) . . ?
C35 C36 P2 118.6(4) . . ?
C31 C36 P2 122.1(4) . . ?
C42 C41 C46 119.6(6) . . ?
C43 C42 C41 121.3(6) . . ?
C44 C43 C42 119.0(6) . . ?
C43 C44 C45 120.4(6) . . ?
C46 C45 C44 120.9(5) . . ?
C45 C46 C41 118.7(5) . . ?
C45 C46 P2 120.8(4) . . ?
C41 C46 P2 120.3(4) . . ?
C86 B1 C76 113.0(4) . . ?
C86 B1 C66 100.3(4) . . ?
C76 B1 C66 114.6(4) . . ?
C86 B1 C56 114.4(4) . . ?
C76 B1 C56 101.7(4) . . ?
C66 B1 C56 113.5(4) . . ?
F51 C51 C52 115.5(5) . . ?
F51 C51 C56 120.3(5) . . ?
C52 C51 C56 124.2(5) . . ?
C53 C52 F52 120.6(5) . . ?
C53 C52 C51 120.5(5) . . ?
F52 C52 C51 118.8(6) . . ?
C52 C53 F53 120.7(6) . . ?
C52 C53 C54 119.5(5) . . ?
F53 C53 C54 119.8(6) . . ?
F54 C54 C55 121.2(6) . . ?
F54 C54 C53 120.7(5) . . ?
C55 C54 C53 118.1(6) . . ?
F55 C55 C54 116.2(5) . . ?
F55 C55 C56 118.2(5) . . ?
C54 C55 C56 125.6(5) . . ?
C51 C56 C55 112.0(5) . . ?
C51 C56 B1 127.9(5) . . ?
C55 C56 B1 119.7(4) . . ?
F61 C61 C62 114.6(4) . . ?
F61 C61 C66 121.2(4) . . ?
C62 C61 C66 124.1(4) . . ?
F62 C62 C63 120.5(4) . . ?
F62 C62 C61 119.3(4) . . ?
C63 C62 C61 120.1(5) . . ?
F63 C63 C62 120.2(5) . . ?
F63 C63 C64 120.8(5) . . ?
C62 C63 C64 119.0(5) . . ?
F64 C64 C63 120.2(5) . . ?
F64 C64 C65 119.9(5) . . ?
C63 C64 C65 119.8(5) . . ?
F65 C65 C66 119.5(5) . . ?
F65 C65 C64 116.5(5) . . ?
C66 C65 C64 124.0(5) . . ?
C65 C66 C61 113.0(4) . . ?
C65 C66 B1 120.8(4) . . ?
C61 C66 B1 125.8(4) . . ?
F71 C71 C76 121.5(5) . . ?
F71 C71 C72 114.9(5) . . ?
C76 C71 C72 123.6(5) . . ?
F72 C72 C73 120.7(6) . . ?
F72 C72 C71 119.5(6) . . ?
C73 C72 C71 119.8(6) . . ?
F73 C73 C72 120.6(6) . . ?
F73 C73 C74 120.3(7) . . ?
C72 C73 C74 119.0(6) . . ?
F74 C74 C75 120.6(6) . . ?
F74 C74 C73 119.6(6) . . ?
C75 C74 C73 119.8(6) . . ?
F75 C75 C74 115.4(5) . . ?
F75 C75 C76 120.8(5) . . ?
C74 C75 C76 123.8(6) . . ?
C75 C76 C71 114.0(5) . . ?
C75 C76 B1 117.7(5) . . ?
C71 C76 B1 128.0(5) . . ?
F81 C81 C82 114.5(5) . . ?
F81 C81 C86 121.6(5) . . ?
C82 C81 C86 123.9(5) . . ?
F82 C82 C81 119.8(6) . . ?
F82 C82 C83 119.5(6) . . ?
C81 C82 C83 120.7(5) . . ?
F83 C83 C84 122.4(6) . . ?
F83 C83 C82 120.0(6) . . ?
C84 C83 C82 117.6(6) . . ?
F84 C84 C85 121.0(5) . . ?
F84 C84 C83 119.0(6) . . ?
C85 C84 C83 120.0(6) . . ?
C84 C85 F85 116.1(5) . . ?
C84 C85 C86 125.7(5) . . ?
F85 C85 C86 118.1(5) . . ?
C81 C86 C85 112.1(5) . . ?
C81 C86 B1 127.0(5) . . ?
C85 C86 B1 120.1(4) . . ?
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
Rh1 P1 2.2456(14) . ?
Rh1 P2 2.2606(12) . ?
Rh1 S2 2.3493(13) . ?
Rh1 S1 2.3502(13) . ?
S1 C4 1.795(5) . ?
S1 C2 1.838(6) . ?
S2 C9 1.793(4) . ?
S2 C7 1.839(5) . ?
P1 C26 1.816(5) . ?
P1 C16 1.824(5) . ?
P1 C1 1.847(6) . ?
P2 C36 1.821(4) . ?
P2 C46 1.823(5) . ?
P2 C6 1.841(5) . ?
C1 C2 1.518(7) . ?
C3 C10 1.380(6) 2_764 ?
C3 C4 1.391(7) . ?
C4 C5 1.375(7) . ?
C5 C8 1.406(6) 2_764 ?
C6 C7 1.513(8) . ?
C8 C9 1.391(6) . ?
C8 C5 1.406(6) 2_764 ?
C9 C10 1.387(7) . ?
C10 C3 1.380(6) 2_764 ?
C11 C12 1.384(8) . ?
C11 C16 1.410(7) . ?
C12 C13 1.353(10) . ?
C13 C14 1.389(9) . ?
C14 C15 1.409(8) . ?
C15 C16 1.371(8) . ?
C21 C26 1.398(7) . ?
C21 C22 1.402(7) . ?
C22 C23 1.353(9) . ?
C23 C24 1.382(9) . ?
C24 C25 1.399(8) . ?
C25 C26 1.402(7) . ?
C31 C32 1.396(6) . ?
C31 C36 1.402(7) . ?
C32 C33 1.386(8) . ?
C33 C34 1.365(8) . ?
C34 C35 1.404(6) . ?
C35 C36 1.385(7) . ?
C41 C42 1.381(9) . ?
C41 C46 1.407(7) . ?
C42 C43 1.377(10) . ?
C43 C44 1.379(9) . ?
C44 C45 1.388(8) . ?
C45 C46 1.373(8) . ?
B1 C86 1.646(8) . ?
B1 C76 1.653(7) . ?
B1 C66 1.659(7) . ?
B1 C56 1.664(8) . ?
F51 C51 1.370(6) . ?
F52 C52 1.364(6) . ?
F53 C53 1.352(6) . ?
F54 C54 1.328(7) . ?
F55 C55 1.353(6) . ?
F61 C61 1.346(5) . ?
F62 C62 1.345(6) . ?
F63 C63 1.350(6) . ?
F64 C64 1.345(6) . ?
F65 C65 1.349(6) . ?
F71 C71 1.349(6) . ?
F72 C72 1.332(7) . ?
F73 C73 1.346(7) . ?
F74 C74 1.364(8) . ?
F75 C75 1.345(7) . ?
F81 C81 1.347(6) . ?
F82 C82 1.351(6) . ?
F83 C83 1.334(7) . ?
F84 C84 1.361(6) . ?
F85 C85 1.370(6) . ?
C51 C52 1.390(8) . ?
C51 C56 1.398(7) . ?
C52 C53 1.339(9) . ?
C53 C54 1.396(9) . ?
C54 C55 1.384(8) . ?
C55 C56 1.398(8) . ?
C61 C62 1.390(7) . ?
C61 C66 1.398(7) . ?
C62 C63 1.360(7) . ?
C63 C64 1.368(8) . ?
C64 C65 1.400(8) . ?
C65 C66 1.389(7) . ?
C71 C76 1.392(7) . ?
C71 C72 1.403(8) . ?
C72 C73 1.355(10) . ?
C73 C74 1.392(10) . ?
C74 C75 1.380(8) . ?
C75 C76 1.390(8) . ?
C81 C82 1.384(9) . ?
C81 C86 1.390(7) . ?
C82 C83 1.390(10) . ?
C83 C84 1.366(8) . ?
C84 C85 1.368(8) . ?
C85 C86 1.401(8) . ?
