#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:56:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179162 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/23/4312327.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_4312327
loop_
_publ_author_name
'Martin S. Masar'
'Maxim V. Ovchinnikov'
'Chad A. Mirkin'
'Lev N. Zakharov'
'Arnold L. Rheingold'
_publ_section_title
;
 Fine-Tuning the Weak-Link Approach: Effect of Ligand Electron Density on
 the Formation of Rhodium(I) and Iridium(I) Metallomacrocycles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6851
_journal_page_last               6858
_journal_paper_doi               10.1021/ic034393p
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C80 H68 B2 F16 P4 Rh2 S4'
_chemical_formula_weight         1812.90
_chemical_name_systematic
; 
 ? 
;
_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                 112.513(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.185(2)
_cell_length_b                   13.7775(17)
_cell_length_c                   18.615(2)
_cell_measurement_reflns_used    8154
_cell_measurement_temperature    218(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.58
_cell_volume                     3834.6(8)
_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      218(2)
_diffrn_measured_fraction_theta_full 0.734
_diffrn_measured_fraction_theta_max 0.734
_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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            12368
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6998
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0587P)²+1.0867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                5892
_reflns_number_total             6998
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034393psi20030709_044938_2.cif
_cod_data_source_block           mir43(RhTFB,2)
_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 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4312327
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.158191(16) 0.046100(13) 0.862706(11) 0.02893(8) Uani 1 1 d . . .
S1 S 0.00448(6) 0.02773(5) 0.80356(4) 0.03383(17) Uani 1 1 d . . .
S2 S 0.17403(6) -0.08500(5) 0.94812(4) 0.03471(18) Uani 1 1 d . . .
P1 P 0.14042(6) 0.15229(4) 0.76657(4) 0.03073(17) Uani 1 1 d . . .
P2 P 0.30760(6) 0.05651(5) 0.91933(4) 0.03332(18) Uani 1 1 d . . .
F1 F -0.08811(15) -0.11323(11) 0.85967(10) 0.0490(5) Uani 1 1 d . . .
F2 F 0.00002(15) 0.21516(11) 0.89575(10) 0.0480(5) Uani 1 1 d . . .
F3 F 0.07273(14) -0.23293(11) 0.99871(10) 0.0449(5) Uani 1 1 d . . .
F4 F 0.16456(15) 0.09514(12) 1.03869(10) 0.0510(5) Uani 1 1 d . . .
C1 C 0.0275(2) 0.2041(2) 0.73944(17) 0.0399(7) Uani 1 1 d . . .
H1A H 0.0270 0.2493 0.7799 0.048 Uiso 1 1 calc R . .
H1B H 0.0114 0.2404 0.6907 0.048 Uiso 1 1 calc R . .
C2 C -0.0404(2) 0.1239(2) 0.72962(17) 0.0432(8) Uani 1 1 d . . .
H2A H -0.0577 0.0953 0.6777 0.052 Uiso 1 1 calc R . .
H2B H -0.0942 0.1516 0.7337 0.052 Uiso 1 1 calc R . .
C3 C -0.0450(2) 0.05093(17) 0.87224(15) 0.0298(6) Uani 1 1 d . . .
C4 C -0.0870(2) -0.02590(18) 0.89176(15) 0.0341(7) Uani 1 1 d . . .
C5 C -0.0411(2) 0.13772(18) 0.91095(15) 0.0323(6) Uani 1 1 d . . .
C6 C 0.3464(3) -0.0600(2) 0.9698(2) 0.0454(8) Uani 1 1 d . . .
H6A H 0.3413 -0.1109 0.9316 0.055 Uiso 1 1 calc R . .
H6B H 0.4094 -0.0546 1.0046 0.055 Uiso 1 1 calc R . .
C7 C 0.2911(2) -0.0868(2) 1.01595(18) 0.0441(8) Uani 1 1 d . . .
H7A H 0.3007 -0.0400 1.0581 0.053 Uiso 1 1 calc R . .
H7B H 0.3075 -0.1516 1.0387 0.053 Uiso 1 1 calc R . .
C8 C 0.1226(2) -0.07007(18) 1.01598(15) 0.0317(6) Uani 1 1 d . . .
C9 C 0.0788(2) -0.14666(17) 1.03485(15) 0.0323(6) Uani 1 1 d . . .
C10 C 0.1251(2) 0.01691(18) 1.05456(16) 0.0345(7) Uani 1 1 d . . .
C11 C 0.1336(2) 0.09527(19) 0.67612(15) 0.0343(7) Uani 1 1 d . . .
C12 C 0.1463(2) -0.0044(2) 0.67404(16) 0.0423(8) Uani 1 1 d . . .
H12A H 0.1614 -0.0413 0.7198 0.051 Uiso 1 1 calc R . .
C13 C 0.1370(3) -0.0497(2) 0.6048(2) 0.0585(11) Uani 1 1 d . . .
H13A H 0.1464 -0.1169 0.6037 0.070 Uiso 1 1 calc R . .
C14 C 0.1138(3) 0.0043(3) 0.5374(2) 0.0611(11) Uani 1 1 d . . .
H14A H 0.1067 -0.0265 0.4904 0.073 Uiso 1 1 calc R . .
C15 C 0.1009(3) 0.1030(2) 0.53885(18) 0.0546(10) Uani 1 1 d . . .
H15A H 0.0854 0.1395 0.4929 0.065 Uiso 1 1 calc R . .
C16 C 0.1108(3) 0.1485(2) 0.60780(16) 0.0445(8) Uani 1 1 d . . .
H16A H 0.1021 0.2158 0.6085 0.053 Uiso 1 1 calc R . .
C17 C 0.2091(2) 0.25971(18) 0.77640(16) 0.0385(7) Uani 1 1 d . . .
C18 C 0.2726(3) 0.2641(2) 0.74381(19) 0.0473(8) Uani 1 1 d . . .
H18A H 0.2817 0.2101 0.7168 0.057 Uiso 1 1 calc R . .
C19 C 0.3233(3) 0.3482(3) 0.7507(2) 0.0643(11) Uani 1 1 d . . .
H19A H 0.3652 0.3519 0.7271 0.077 Uiso 1 1 calc R . .
C20 C 0.3112(4) 0.4256(3) 0.7923(3) 0.0771(14) Uani 1 1 d . . .
H20A H 0.3455 0.4821 0.7973 0.093 Uiso 1 1 calc R . .
C21 C 0.2503(3) 0.4214(3) 0.8265(2) 0.0693(13) Uani 1 1 d . . .
H21A H 0.2434 0.4745 0.8555 0.083 Uiso 1 1 calc R . .
C22 C 0.1987(3) 0.3392(2) 0.81867(19) 0.0532(10) Uani 1 1 d . . .
H22A H 0.1564 0.3368 0.8419 0.064 Uiso 1 1 calc R . .
C23 C 0.3810(2) 0.0705(2) 0.86653(17) 0.0423(8) Uani 1 1 d . . .
C24 C 0.3784(3) -0.0002(3) 0.81244(19) 0.0592(10) Uani 1 1 d . . .
H24A H 0.3365 -0.0509 0.8011 0.071 Uiso 1 1 calc R . .
C25 C 0.4372(4) 0.0044(4) 0.7759(2) 0.0814(16) Uani 1 1 d . . .
H25A H 0.4361 -0.0445 0.7403 0.098 Uiso 1 1 calc R . .
C26 C 0.4977(4) 0.0785(5) 0.7898(3) 0.0891(18) Uani 1 1 d . . .
H26A H 0.5384 0.0798 0.7649 0.107 Uiso 1 1 calc R . .
C27 C 0.4982(3) 0.1507(4) 0.8405(2) 0.0740(14) Uani 1 1 d . . .
H27A H 0.5384 0.2029 0.8492 0.089 Uiso 1 1 calc R . .
C28 C 0.4402(3) 0.1477(3) 0.8789(2) 0.0544(9) Uani 1 1 d . . .
H28A H 0.4408 0.1978 0.9134 0.065 Uiso 1 1 calc R . .
C29 C 0.3455(2) 0.1466(2) 0.99650(16) 0.0384(7) Uani 1 1 d . . .
C30 C 0.2903(3) 0.2249(2) 0.99357(19) 0.0504(9) Uani 1 1 d . . .
H30A H 0.2333 0.2288 0.9535 0.061 Uiso 1 1 calc R . .
C31 C 0.3189(3) 0.2974(3) 1.0497(2) 0.0702(13) Uani 1 1 d . . .
H31A H 0.2820 0.3511 1.0470 0.084 Uiso 1 1 calc R . .
C32 C 0.4016(4) 0.2901(4) 1.1089(2) 0.0761(15) Uani 1 1 d . . .
H32A H 0.4213 0.3395 1.1465 0.091 Uiso 1 1 calc R . .
C33 C 0.4560(3) 0.2115(4) 1.1140(2) 0.0715(13) Uani 1 1 d . . .
H33A H 0.5118 0.2063 1.1555 0.086 Uiso 1 1 calc R . .
C34 C 0.4280(3) 0.1403(3) 1.05783(19) 0.0610(10) Uani 1 1 d . . .
H34A H 0.4653 0.0868 1.0611 0.073 Uiso 1 1 calc R . .
C35 C 0.4486(5) -0.3837(4) 1.0019(4) 0.1026(19) Uani 1 1 d . . .
H35A H 0.5072 -0.3942 1.0047 0.123 Uiso 1 1 calc R . .
C36 C 0.4251(5) -0.4065(5) 1.0643(4) 0.112(2) Uani 1 1 d . . .
H36A H 0.4681 -0.4330 1.1098 0.135 Uiso 1 1 calc R . .
C37 C 0.3419(5) -0.3910(5) 1.0602(4) 0.107(2) Uani 1 1 d . . .
H37A H 0.3264 -0.4069 1.1025 0.128 Uiso 1 1 calc R . .
C38 C 0.2798(4) -0.3523(3) 0.9948(3) 0.0776(14) Uani 1 1 d . . .
H38A H 0.2216 -0.3400 0.9923 0.093 Uiso 1 1 calc R . .
C39 C 0.3015(4) -0.3313(3) 0.9334(3) 0.0801(15) Uani 1 1 d . . .
H39A H 0.2577 -0.3062 0.8877 0.096 Uiso 1 1 calc R . .
C40 C 0.3852(5) -0.3461(4) 0.9370(3) 0.0859(17) Uani 1 1 d . . .
H40A H 0.3998 -0.3302 0.8941 0.103 Uiso 1 1 calc R . .
B1 B 0.2697(4) -0.2178(3) 1.2148(3) 0.0610(12) Uani 1 1 d . . .
F5 F 0.2421(2) -0.2343(2) 1.13613(14) 0.0937(9) Uani 1 1 d . . .
F6 F 0.3535(7) -0.1665(7) 1.2553(5) 0.086(2) Uiso 0.33 1 d P . .
F7 F 0.2850(11) -0.3017(8) 1.2610(6) 0.107(3) Uiso 0.33 1 d P . .
F8 F 0.2161(8) -0.1647(9) 1.2443(6) 0.100(3) Uiso 0.33 1 d P . .
F6B F 0.3321(8) -0.2880(7) 1.2438(5) 0.088(3) Uiso 0.33 1 d P . .
F7B F 0.1934(7) -0.2386(7) 1.2238(5) 0.075(2) Uiso 0.33 1 d P . .
F8B F 0.2832(9) -0.1190(7) 1.2071(6) 0.105(3) Uiso 0.33 1 d P . .
F6C F 0.3541(6) -0.2345(7) 1.2537(4) 0.074(2) Uiso 0.33 1 d P . .
F7C F 0.2193(11) -0.2777(9) 1.2476(7) 0.111(3) Uiso 0.33 1 d P . .
F8C F 0.2422(7) -0.1271(6) 1.2297(5) 0.076(2) Uiso 0.33 1 d P . .
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'
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'
B B 0.0013 0.0007 '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
P2 Rh1 P1 96.84(3) . . ?
P2 Rh1 S1 177.36(3) . . ?
P1 Rh1 S1 84.60(3) . . ?
P2 Rh1 S2 84.99(3) . . ?
P1 Rh1 S2 170.61(3) . . ?
S1 Rh1 S2 93.24(3) . . ?
C3 S1 C2 104.46(14) . . ?
C3 S1 Rh1 109.63(10) . . ?
C2 S1 Rh1 108.69(12) . . ?
C8 S2 C7 98.88(15) . . ?
C8 S2 Rh1 115.67(9) . . ?
C7 S2 Rh1 107.00(10) . . ?
C17 P1 C11 105.21(14) . . ?
C17 P1 C1 102.46(14) . . ?
C11 P1 C1 102.18(14) . . ?
C17 P1 Rh1 124.35(9) . . ?
C11 P1 Rh1 113.57(9) . . ?
C1 P1 Rh1 106.39(10) . . ?
C29 P2 C23 105.20(16) . . ?
C29 P2 C6 104.23(15) . . ?
C23 P2 C6 101.66(15) . . ?
C29 P2 Rh1 113.09(12) . . ?
C23 P2 Rh1 124.23(11) . . ?
C6 P2 Rh1 106.21(13) . . ?
C2 C1 P1 110.3(2) . . ?
C1 C2 S1 111.8(2) . . ?
C4 C3 C5 117.0(3) . . ?
C4 C3 S1 117.0(2) . . ?
C5 C3 S1 125.9(2) . . ?
F1 C4 C10 118.4(3) . 3_557 ?
F1 C4 C3 119.6(3) . . ?
C10 C4 C3 121.9(2) 3_557 . ?
F2 C5 C9 118.7(2) . 3_557 ?
F2 C5 C3 120.3(3) . . ?
C9 C5 C3 121.1(3) 3_557 . ?
C7 C6 P2 110.1(2) . . ?
C6 C7 S2 106.7(2) . . ?
C9 C8 C10 116.1(3) . . ?
C9 C8 S2 121.1(2) . . ?
C10 C8 S2 122.7(2) . . ?
F3 C9 C5 118.5(2) . 3_557 ?
F3 C9 C8 119.3(3) . . ?
C5 C9 C8 122.2(2) 3_557 . ?
F4 C10 C4 118.3(2) . 3_557 ?
F4 C10 C8 120.0(3) . . ?
C4 C10 C8 121.7(3) 3_557 . ?
C16 C11 C12 119.0(2) . . ?
C16 C11 P1 121.3(2) . . ?
C12 C11 P1 119.6(2) . . ?
C13 C12 C11 120.3(3) . . ?
C14 C13 C12 119.8(3) . . ?
C15 C14 C13 120.3(3) . . ?
C14 C15 C16 120.0(3) . . ?
C15 C16 C11 120.5(3) . . ?
C18 C17 C22 118.9(3) . . ?
C18 C17 P1 121.4(2) . . ?
C22 C17 P1 119.7(3) . . ?
C17 C18 C19 120.4(3) . . ?
C20 C19 C18 119.3(4) . . ?
C21 C20 C19 121.0(4) . . ?
C20 C21 C22 120.0(4) . . ?
C21 C22 C17 120.4(4) . . ?
C24 C23 C28 118.9(3) . . ?
C24 C23 P2 118.2(3) . . ?
C28 C23 P2 122.9(3) . . ?
C25 C24 C23 119.7(5) . . ?
C24 C25 C26 121.6(5) . . ?
C25 C26 C27 119.2(5) . . ?
C26 C27 C28 120.6(5) . . ?
C27 C28 C23 120.0(4) . . ?
C34 C29 C30 118.8(3) . . ?
C34 C29 P2 122.3(3) . . ?
C30 C29 P2 118.8(3) . . ?
C29 C30 C31 120.3(4) . . ?
C32 C31 C30 119.5(4) . . ?
C31 C32 C33 120.9(4) . . ?
C32 C33 C34 119.5(4) . . ?
C33 C34 C29 120.9(4) . . ?
C40 C35 C36 118.4(7) . . ?
C37 C36 C35 120.6(6) . . ?
C36 C37 C38 119.9(6) . . ?
C39 C38 C37 120.1(6) . . ?
C40 C39 C38 120.6(5) . . ?
C39 C40 C35 120.4(5) . . ?
F6C B1 F7B 135.9(7) . . ?
F6C B1 F6B 35.5(5) . . ?
F7B B1 F6B 112.4(7) . . ?
F6C B1 F5 114.0(5) . . ?
F7B B1 F5 99.2(5) . . ?
F6B B1 F5 101.2(5) . . ?
F6C B1 F8C 113.3(7) . . ?
F7B B1 F8C 77.7(7) . . ?
F6B B1 F8C 144.2(7) . . ?
F5 B1 F8C 111.2(5) . . ?
F6C B1 F8B 93.2(7) . . ?
F7B B1 F8B 114.2(7) . . ?
F6B B1 F8B 128.0(9) . . ?
F5 B1 F8B 92.9(5) . . ?
F8C B1 F8B 38.5(5) . . ?
F6C B1 F8 123.6(7) . . ?
F7B B1 F8 47.3(6) . . ?
F6B B1 F8 134.4(7) . . ?
F5 B1 F8 120.5(6) . . ?
F8C B1 F8 32.5(5) . . ?
F8B B1 F8 71.0(6) . . ?
F6C B1 F7 67.2(7) . . ?
F7B B1 F7 72.7(7) . . ?
F6B B1 F7 40.4(6) . . ?
F5 B1 F7 115.2(5) . . ?
F8C B1 F7 127.9(8) . . ?
F8B B1 F7 150.3(8) . . ?
F8 B1 F7 100.5(8) . . ?
F6C B1 F7C 107.9(8) . . ?
F7B B1 F7C 29.7(6) . . ?
F6B B1 F7C 83.1(8) . . ?
F5 B1 F7C 110.4(6) . . ?
F8C B1 F7C 98.9(8) . . ?
F8B B1 F7C 137.4(9) . . ?
F8 B1 F7C 66.4(8) . . ?
F7 B1 F7C 43.1(6) . . ?
F6C B1 F6 39.2(5) . . ?
F7B B1 F6 139.5(6) . . ?
F6B B1 F6 74.7(6) . . ?
F5 B1 F6 119.1(5) . . ?
F8C B1 F6 76.5(6) . . ?
F8B B1 F6 55.1(6) . . ?
F8 B1 F6 97.9(7) . . ?
F7 B1 F6 99.9(7) . . ?
F7C B1 F6 128.4(7) . . ?
F6C F6 F8B 119.5(11) . . ?
F6C F6 B1 61.3(8) . . ?
F8B F6 B1 60.1(6) . . ?
F6C F6 F6B 11.5(8) . . ?
F8B F6 F6B 108.7(8) . . ?
B1 F6 F6B 49.9(5) . . ?
F6C F6 F8C 108.8(10) . . ?
F8B F6 F8C 30.6(5) . . ?
B1 F6 F8C 50.0(5) . . ?
F6B F6 F8C 97.5(7) . . ?
F6B F7 F7C 136.7(16) . . ?
F6B F7 B1 66.9(9) . . ?
F7C F7 B1 70.7(10) . . ?
F6B F7 F6C 29.0(8) . . ?
F7C F7 F6C 120.6(12) . . ?
B1 F7 F6C 53.1(6) . . ?
F6B F7 F7B 117.8(12) . . ?
F7C F7 F7B 19.0(8) . . ?
B1 F7 F7B 51.7(5) . . ?
F6C F7 F7B 102.8(8) . . ?
F8C F8 F7B 130.2(16) . . ?
F8C F8 B1 73.1(12) . . ?
F7B F8 B1 63.4(8) . . ?
F8C F8 F7C 131.4(15) . . ?
F7B F8 F7C 24.6(7) . . ?
B1 F8 F7C 58.4(7) . . ?
F8C F8 F8B 18.7(10) . . ?
F7B F8 F8B 113.5(10) . . ?
B1 F8 F8B 54.4(5) . . ?
F7C F8 F8B 112.7(9) . . ?
F6C F6B F7 116.4(16) . . ?
F6C F6B B1 68.7(10) . . ?
F7 F6B B1 72.7(11) . . ?
F6C F6B F6 13.3(9) . . ?
F7 F6B F6 107.6(11) . . ?
B1 F6B F6 55.5(5) . . ?
F7C F7B F8 116.1(18) . . ?
F7C F7B B1 83.7(16) . . ?
F8 F7B B1 69.2(9) . . ?
F7C F7B F7 28.2(14) . . ?
F8 F7B F7 102.7(10) . . ?
B1 F7B F7 55.5(6) . . ?
F7C F7B F8C 119.1(18) . . ?
F8 F7B F8C 20.4(7) . . ?
B1 F7B F8C 52.5(5) . . ?
F7 F7B F8C 97.5(7) . . ?
F8C F8B F6 102.3(12) . . ?
F8C F8B B1 70.3(10) . . ?
F6 F8B B1 64.8(6) . . ?
F8C F8B F8 15.8(8) . . ?
F6 F8B F8 93.5(8) . . ?
B1 F8B F8 54.5(6) . . ?
F6B F6C F6 155.3(17) . . ?
F6B F6C B1 75.8(11) . . ?
F6 F6C B1 79.6(9) . . ?
F6B F6C F7 34.7(10) . . ?
F6 F6C F7 126.6(12) . . ?
B1 F6C F7 59.7(6) . . ?
F7B F7C F7 133(2) . . ?
F7B F7C B1 66.6(14) . . ?
F7 F7C B1 66.2(10) . . ?
F7B F7C F8 39.3(12) . . ?
F7 F7C F8 109.9(13) . . ?
B1 F7C F8 55.3(6) . . ?
F8 F8C F8B 145.5(18) . . ?
F8 F8C B1 74.3(11) . . ?
F8B F8C B1 71.2(10) . . ?
F8 F8C F7B 29.4(10) . . ?
F8B F8C F7B 118.5(11) . . ?
B1 F8C F7B 49.8(5) . . ?
F8 F8C F6 109.6(13) . . ?
F8B F8C F6 47.1(9) . . ?
B1 F8C F6 53.5(5) . . ?
F7B F8C F6 98.0(6) . . ?
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 P2 2.2422(10) . ?
Rh1 P1 2.2431(7) . ?
Rh1 S1 2.3169(9) . ?
Rh1 S2 2.3545(7) . ?
S1 C3 1.778(3) . ?
S1 C2 1.847(3) . ?
S2 C8 1.771(3) . ?
S2 C7 1.831(4) . ?
P1 C17 1.817(3) . ?
P1 C11 1.823(3) . ?
P1 C1 1.843(3) . ?
P2 C29 1.818(3) . ?
P2 C23 1.819(3) . ?
P2 C6 1.844(3) . ?
F1 C4 1.340(3) . ?
F2 C5 1.343(3) . ?
F3 C9 1.351(3) . ?
F4 C10 1.342(3) . ?
C1 C2 1.521(5) . ?
C3 C4 1.380(4) . ?
C3 C5 1.385(4) . ?
C4 C10 1.365(4) 3_557 ?
C5 C9 1.371(4) 3_557 ?
C6 C7 1.505(5) . ?
C8 C9 1.389(4) . ?
C8 C10 1.390(4) . ?
C9 C5 1.371(4) 3_557 ?
C10 C4 1.365(4) 3_557 ?
C11 C16 1.390(4) . ?
C11 C12 1.392(4) . ?
C12 C13 1.387(4) . ?
C13 C14 1.380(5) . ?
C14 C15 1.378(5) . ?
C15 C16 1.381(4) . ?
C17 C18 1.380(5) . ?
C17 C22 1.396(4) . ?
C18 C19 1.398(5) . ?
C19 C20 1.375(6) . ?
C20 C21 1.365(7) . ?
C21 C22 1.380(5) . ?
C23 C24 1.390(5) . ?
C23 C28 1.391(5) . ?
C24 C25 1.367(6) . ?
C25 C26 1.369(8) . ?
C26 C27 1.369(7) . ?
C27 C28 1.382(6) . ?
C29 C34 1.388(5) . ?
C29 C30 1.388(5) . ?
C30 C31 1.390(5) . ?
C31 C32 1.373(7) . ?
C32 C33 1.376(7) . ?
C33 C34 1.377(5) . ?
C35 C40 1.354(8) . ?
C35 C36 1.389(8) . ?
C36 C37 1.337(9) . ?
C37 C38 1.355(7) . ?
C38 C39 1.349(7) . ?
C39 C40 1.347(8) . ?
B1 F6C 1.299(10) . ?
B1 F7B 1.337(11) . ?
B1 F6B 1.352(11) . ?
B1 F5 1.377(5) . ?
B1 F8C 1.389(10) . ?
B1 F8B 1.396(11) . ?
B1 F8 1.398(11) . ?
B1 F7 1.404(11) . ?
B1 F7C 1.448(13) . ?
B1 F6 1.457(10) . ?
F6 F6C 0.937(9) . ?
F6 F8B 1.321(13) . ?
F6 F6B 1.706(12) . ?
F6 F8C 1.762(14) . ?
F7 F6B 0.952(14) . ?
F7 F7C 1.047(15) . ?
F7 F6C 1.499(16) . ?
F7 F7B 1.626(16) . ?
F8 F8C 0.781(12) . ?
F8 F7B 1.100(12) . ?
F8 F7C 1.559(16) . ?
F8 F8B 1.623(15) . ?
F6B F6C 0.810(10) . ?
F7B F7C 0.722(13) . ?
F7B F8C 1.711(13) . ?
F8B F8C 0.918(12) . ?
