#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:30:38 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178902 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/31/4113138.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_4113138
loop_
_publ_author_name
'Aaron M. Brown'
'Maxim V. Ovchinnikov'
'Charlotte L. Stern'
'Chad A. Mirkin'
_publ_section_title
;
 Halide-Induced Supramolecular Ligand Rearrangement
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14316
_journal_page_last               14317
_journal_paper_doi               10.1021/ja045316b
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2'
_chemical_formula_weight         1872.32
_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                94.746(18)
_cell_angle_beta                 111.785(15)
_cell_angle_gamma                108.130(12)
_cell_formula_units_Z            1
_cell_length_a                   11.536(2)
_cell_length_b                   14.0279(17)
_cell_length_c                   14.279(3)
_cell_measurement_temperature    153(2)
_cell_volume                     1987.1(7)
_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 0.891
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18650
_diffrn_reflns_theta_full        28.93
_diffrn_reflns_theta_max         28.93
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.884
_exptl_absorpt_correction_T_max  0.9352
_exptl_absorpt_correction_T_min  0.8618
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.096
_refine_diff_density_max         2.215
_refine_diff_density_min         -1.603
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         9347
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0497
_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)+(0.0878P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1329
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                7382
_reflns_number_total             9347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja045316bsi20040818_032125.cif
_cod_data_source_block           s90n
_cod_original_cell_volume        1987.0(6)
_cod_database_code               4113138
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 0.87624(2) 0.774568(18) 0.739561(18) 0.01990(9) Uani 1 1 d .
S1 S 0.80329(8) 0.73948(6) 0.55711(6) 0.02162(17) Uani 1 1 d .
P1 P 1.09987(8) 0.83747(6) 0.76278(6) 0.01890(17) Uani 1 1 d .
P2 P 0.65182(8) 0.72856(6) 0.70518(6) 0.02059(18) Uani 1 1 d .
O1 O 1.1726(2) 0.66378(17) 0.56876(18) 0.0276(5) Uani 1 1 d .
O2 O 0.9559(3) 0.8330(3) 0.9663(2) 0.0514(8) Uani 1 1 d .
C1 C 0.6228(3) 0.7132(3) 0.5034(3) 0.0279(7) Uani 1 1 d .
H1A H 0.6082 0.7789 0.4987 0.034 Uiso 1 1 calc R
H1B H 0.5794 0.6696 0.4325 0.034 Uiso 1 1 calc R
C2 C 0.5585(3) 0.6597(3) 0.5684(3) 0.0253(7) Uani 1 1 d .
H2A H 0.5566 0.5884 0.5618 0.030 Uiso 1 1 calc R
H2B H 0.4646 0.6563 0.5432 0.030 Uiso 1 1 calc R
C3 C 1.1440(3) 0.7941(2) 0.6605(2) 0.0221(6) Uani 1 1 d .
H3A H 1.0751 0.7916 0.5926 0.027 Uiso 1 1 calc R
H3B H 1.2310 0.8451 0.6691 0.027 Uiso 1 1 calc R
C4 C 1.1550(3) 0.6889(2) 0.6604(2) 0.0229(7) Uani 1 1 d .
H4A H 1.2329 0.6916 0.7228 0.028 Uiso 1 1 calc R
H4B H 1.0724 0.6373 0.6585 0.028 Uiso 1 1 calc R
C5 C 1.1805(3) 0.5702(2) 0.5452(2) 0.0219(6) Uani 1 1 d .
C6 C 1.1880(3) 0.5484(2) 0.4510(2) 0.0232(7) Uani 1 1 d .
H6 H 1.1883 0.5974 0.4089 0.028 Uiso 1 1 calc R
C7 C 1.1950(3) 0.4555(2) 0.4189(2) 0.0210(6) Uani 1 1 d .
H7 H 1.2007 0.4406 0.3550 0.025 Uiso 1 1 calc R
C8 C 1.1937(3) 0.3840(2) 0.4809(2) 0.0202(6) Uani 1 1 d .
C9 C 1.1876(3) 0.4063(3) 0.5746(2) 0.0246(7) Uani 1 1 d .
H9 H 1.1876 0.3574 0.6169 0.029 Uiso 1 1 calc R
C10 C 1.1816(3) 0.5000(3) 0.6073(2) 0.0248(7) Uani 1 1 d .
H10 H 1.1782 0.5156 0.6720 0.030 Uiso 1 1 calc R
C11 C 1.2250(3) 0.8209(2) 0.8767(2) 0.0207(6) Uani 1 1 d .
C12 C 1.3613(3) 0.8770(2) 0.9063(3) 0.0262(7) Uani 1 1 d .
H12 H 1.3883 0.9268 0.8698 0.031 Uiso 1 1 calc R
C13 C 1.4575(3) 0.8599(3) 0.9894(3) 0.0320(8) Uani 1 1 d .
H13 H 1.5502 0.8977 1.0095 0.038 Uiso 1 1 calc R
C14 C 1.4179(4) 0.7877(3) 1.0429(3) 0.0347(8) Uani 1 1 d .
H14 H 1.4838 0.7774 1.1008 0.042 Uiso 1 1 calc R
C15 C 1.2840(4) 0.7306(3) 1.0129(3) 0.0316(8) Uani 1 1 d .
H15 H 1.2579 0.6802 1.0492 0.038 Uiso 1 1 calc R
C16 C 1.1869(3) 0.7467(3) 0.9294(3) 0.0265(7) Uani 1 1 d .
H16 H 1.0945 0.7069 0.9084 0.032 Uiso 1 1 calc R
C17 C 1.1529(3) 0.9769(2) 0.7741(3) 0.0218(6) Uani 1 1 d .
C18 C 1.1789(4) 1.0227(3) 0.6989(3) 0.0341(8) Uani 1 1 d .
H18 H 1.1710 0.9816 0.6389 0.041 Uiso 1 1 calc R
C19 C 1.2170(4) 1.1293(3) 0.7101(3) 0.0426(10) Uani 1 1 d .
H19 H 1.2377 1.1604 0.6588 0.051 Uiso 1 1 calc R
C20 C 1.2246(4) 1.1889(3) 0.7945(3) 0.0404(9) Uani 1 1 d .
H20 H 1.2476 1.2610 0.8007 0.048 Uiso 1 1 calc R
C21 C 1.1987(4) 1.1440(3) 0.8711(3) 0.0368(9) Uani 1 1 d .
H21 H 1.2059 1.1854 0.9305 0.044 Uiso 1 1 calc R
C22 C 1.1622(4) 1.0380(3) 0.8606(3) 0.0304(8) Uani 1 1 d .
H22 H 1.1436 1.0071 0.9127 0.036 Uiso 1 1 calc R
C23 C 0.9265(3) 0.8088(3) 0.8804(3) 0.0301(8) Uani 1 1 d .
C24 C 0.5760(3) 0.6414(2) 0.7721(3) 0.0248(7) Uani 1 1 d .
C25 C 0.5820(4) 0.5436(3) 0.7639(3) 0.0320(8) Uani 1 1 d .
H25 H 0.6286 0.5255 0.7271 0.038 Uiso 1 1 calc R
C26 C 0.5202(4) 0.4722(3) 0.8095(3) 0.0357(8) Uani 1 1 d .
H26 H 0.5225 0.4050 0.8023 0.043 Uiso 1 1 calc R
C27 C 0.4557(4) 0.4997(3) 0.8649(3) 0.0349(8) Uani 1 1 d .
H27 H 0.4145 0.4514 0.8967 0.042 Uiso 1 1 calc R
C28 C 0.4504(4) 0.5973(3) 0.8748(3) 0.0348(8) Uani 1 1 d .
H28 H 0.4057 0.6156 0.9133 0.042 Uiso 1 1 calc R
C29 C 0.5105(4) 0.6683(3) 0.8283(3) 0.0287(7) Uani 1 1 d .
H29 H 0.5068 0.7351 0.8349 0.034 Uiso 1 1 calc R
C30 C 0.6051(3) 0.8400(2) 0.7174(3) 0.0231(7) Uani 1 1 d .
C31 C 0.4983(4) 0.8517(3) 0.6387(3) 0.0291(7) Uani 1 1 d .
H31 H 0.4458 0.8003 0.5763 0.035 Uiso 1 1 calc R
C32 C 0.4691(4) 0.9399(3) 0.6524(3) 0.0354(8) Uani 1 1 d .
H32 H 0.3965 0.9481 0.5985 0.042 Uiso 1 1 calc R
C33 C 0.5433(4) 1.0150(3) 0.7422(3) 0.0347(8) Uani 1 1 d .
H33 H 0.5222 1.0746 0.7501 0.042 Uiso 1 1 calc R
C34 C 0.6481(4) 1.0033(3) 0.8205(3) 0.0376(9) Uani 1 1 d .
H34 H 0.6985 1.0543 0.8834 0.045 Uiso 1 1 calc R
C35 C 0.6808(4) 0.9167(3) 0.8080(3) 0.0333(8) Uani 1 1 d .
H35 H 0.7550 0.9101 0.8615 0.040 Uiso 1 1 calc R
F1 F 0.4634(2) 0.74987(17) 0.27592(17) 0.0375(5) Uani 1 1 d .
F2 F 0.2560(2) 0.75803(17) 0.22574(16) 0.0381(5) Uani 1 1 d .
F3 F 0.3799(3) 0.7722(2) 0.39397(17) 0.0600(8) Uani 1 1 d .
F4 F 0.2919(3) 0.61922(19) 0.2806(3) 0.0690(9) Uani 1 1 d .
B1 B 0.3471(4) 0.7243(3) 0.2943(3) 0.0317(9) Uani 1 1 d .
Cl1 Cl 0.91271(13) 0.21231(8) 0.61715(10) 0.0551(3) Uani 1 1 d .
Cl2 Cl 0.81161(14) -0.00988(9) 0.57353(11) 0.0602(3) Uani 1 1 d .
C36 C 0.8398(5) 0.1025(3) 0.6555(3) 0.0472(11) Uani 1 1 d .
H36A H 0.7534 0.1016 0.6550 0.057 Uiso 1 1 calc R
H36B H 0.8997 0.1050 0.7272 0.057 Uiso 1 1 calc R
C37 C 0.9760(6) 0.6094(5) 0.1092(5) 0.098(3) Uani 1 1 d .
Cl3B Cl 0.9376(4) 0.5225(3) 0.1890(2) 0.0877(7) Uani 0.525(2) 1 d P
Cl4 Cl 0.8898(4) 0.5607(3) -0.0365(3) 0.0877(7) Uani 0.475(2) 1 d P
Cl4B Cl 0.8380(4) 0.5845(3) -0.0051(2) 0.0877(7) Uani 0.525(2) 1 d P
Cl3 Cl 0.8773(4) 0.5497(3) 0.1606(3) 0.0877(7) Uani 0.475(2) 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'
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'
Cl Cl 0.1484 0.1585 '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
C23 Rh1 P2 91.76(11) . .
C23 Rh1 P1 91.52(11) . .
P2 Rh1 P1 172.69(3) . .
C23 Rh1 S1 175.70(11) . .
P2 Rh1 S1 85.87(3) . .
P1 Rh1 S1 90.43(3) . .
C8 S1 C1 101.85(15) 2_766 .
C8 S1 Rh1 107.24(11) 2_766 .
C1 S1 Rh1 105.39(12) . .
C11 P1 C17 104.91(15) . .
C11 P1 C3 101.40(15) . .
C17 P1 C3 103.16(15) . .
C11 P1 Rh1 118.13(11) . .
C17 P1 Rh1 108.04(10) . .
C3 P1 Rh1 119.41(11) . .
C30 P2 C24 105.96(15) . .
C30 P2 C2 106.71(15) . .
C24 P2 C2 103.60(15) . .
C30 P2 Rh1 112.30(11) . .
C24 P2 Rh1 121.28(11) . .
C2 P2 Rh1 105.84(11) . .
C5 O1 C4 118.5(2) . .
C2 C1 S1 111.9(2) . .
C2 C1 H1A 109.2 . .
S1 C1 H1A 109.2 . .
C2 C1 H1B 109.2 . .
S1 C1 H1B 109.2 . .
H1A C1 H1B 107.9 . .
C1 C2 P2 110.7(2) . .
C1 C2 H2A 109.5 . .
P2 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
P2 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C4 C3 P1 113.6(2) . .
C4 C3 H3A 108.9 . .
P1 C3 H3A 108.9 . .
C4 C3 H3B 108.9 . .
P1 C3 H3B 108.9 . .
H3A C3 H3B 107.7 . .
O1 C4 C3 104.8(2) . .
O1 C4 H4A 110.8 . .
C3 C4 H4A 110.8 . .
O1 C4 H4B 110.8 . .
C3 C4 H4B 110.8 . .
H4A C4 H4B 108.9 . .
O1 C5 C10 124.6(3) . .
O1 C5 C6 115.1(3) . .
C10 C5 C6 120.3(3) . .
C7 C6 C5 120.0(3) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C8 119.5(3) . .
C6 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C9 C8 C7 120.3(3) . .
C9 C8 S1 117.4(2) . 2_766
C7 C8 S1 122.3(2) . 2_766
C8 C9 C10 120.1(3) . .
C8 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C5 C10 C9 119.7(3) . .
C5 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C16 C11 C12 119.5(3) . .
C16 C11 P1 120.5(2) . .
C12 C11 P1 119.8(3) . .
C13 C12 C11 119.9(3) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C14 C13 C12 119.9(3) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C15 C14 C13 120.6(3) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C16 120.0(3) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C11 C16 C15 120.1(3) . .
C11 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 C22 119.0(3) . .
C18 C17 P1 122.5(3) . .
C22 C17 P1 118.5(3) . .
C17 C18 C19 120.5(3) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C20 C19 C18 120.3(4) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C19 C20 C21 119.9(4) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C20 C21 C22 119.8(4) . .
C20 C21 H21 120.1 . .
C22 C21 H21 120.1 . .
C21 C22 C17 120.4(3) . .
C21 C22 H22 119.8 . .
C17 C22 H22 119.8 . .
O2 C23 Rh1 177.3(3) . .
C29 C24 C25 119.5(3) . .
C29 C24 P2 122.5(3) . .
C25 C24 P2 118.1(3) . .
C24 C25 C26 120.5(3) . .
C24 C25 H25 119.8 . .
C26 C25 H25 119.8 . .
C27 C26 C25 119.5(3) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C26 C27 C28 120.7(3) . .
C26 C27 H27 119.7 . .
C28 C27 H27 119.7 . .
C27 C28 C29 119.9(3) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C24 C29 C28 119.9(3) . .
C24 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C31 C30 C35 119.2(3) . .
C31 C30 P2 122.2(3) . .
C35 C30 P2 118.6(3) . .
C30 C31 C32 119.4(3) . .
C30 C31 H31 120.3 . .
C32 C31 H31 120.3 . .
C33 C32 C31 121.3(3) . .
C33 C32 H32 119.4 . .
C31 C32 H32 119.4 . .
C32 C33 C34 119.6(3) . .
C32 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C33 C34 C35 120.2(4) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C30 C35 C34 120.4(3) . .
C30 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
F4 B1 F3 110.2(3) . .
F4 B1 F2 109.8(4) . .
F3 B1 F2 108.9(3) . .
F4 B1 F1 109.3(3) . .
F3 B1 F1 109.5(3) . .
F2 B1 F1 109.2(3) . .
Cl1 C36 Cl2 111.4(2) . .
Cl1 C36 H36A 109.3 . .
Cl2 C36 H36A 109.3 . .
Cl1 C36 H36B 109.3 . .
Cl2 C36 H36B 109.3 . .
H36A C36 H36B 108.0 . .
Cl3 C37 Cl4B 89.5(3) . .
Cl3 C37 Cl3B 29.2(2) . .
Cl4B C37 Cl3B 110.9(3) . .
Cl3 C37 Cl4 109.5(3) . .
Cl4B C37 Cl4 31.13(19) . .
Cl3B C37 Cl4 118.6(4) . .
Cl3 Cl3B C37 64.6(4) . .
Cl4B Cl4 C37 64.5(4) . .
Cl4 Cl4B C37 84.4(4) . .
Cl4 Cl4B Cl3 112.5(4) . .
C37 Cl4B Cl3 43.8(2) . .
Cl3B Cl3 C37 86.2(5) . .
Cl3B Cl3 Cl4B 119.8(5) . .
C37 Cl3 Cl4B 46.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C23 1.847(4) .
Rh1 P2 2.3075(10) .
Rh1 P1 2.3332(9) .
Rh1 S1 2.3749(10) .
S1 C8 1.786(3) 2_766
S1 C1 1.830(3) .
P1 C11 1.819(3) .
P1 C17 1.831(3) .
P1 C3 1.833(3) .
P2 C30 1.820(3) .
P2 C24 1.822(3) .
P2 C2 1.840(3) .
O1 C5 1.367(4) .
O1 C4 1.429(4) .
O2 C23 1.134(4) .
C1 C2 1.502(5) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.520(4) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C10 1.378(4) .
C5 C6 1.394(4) .
C6 C7 1.381(4) .
C6 H6 0.9500 .
C7 C8 1.392(4) .
C7 H7 0.9500 .
C8 C9 1.382(4) .
C8 S1 1.786(3) 2_766
C9 C10 1.389(4) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C16 1.392(5) .
C11 C12 1.397(5) .
C12 C13 1.390(5) .
C12 H12 0.9500 .
C13 C14 1.385(5) .
C13 H13 0.9500 .
C14 C15 1.375(5) .
C14 H14 0.9500 .
C15 C16 1.393(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.375(5) .
C17 C22 1.392(5) .
C18 C19 1.397(5) .
C18 H18 0.9500 .
C19 C20 1.367(6) .
C19 H19 0.9500 .
C20 C21 1.385(6) .
C20 H20 0.9500 .
C21 C22 1.392(5) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C24 C29 1.391(5) .
C24 C25 1.392(5) .
C25 C26 1.394(5) .
C25 H25 0.9500 .
C26 C27 1.376(5) .
C26 H26 0.9500 .
C27 C28 1.387(5) .
C27 H27 0.9500 .
C28 C29 1.392(5) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C31 1.392(5) .
C30 C35 1.393(5) .
C31 C32 1.396(5) .
C31 H31 0.9500 .
C32 C33 1.374(6) .
C32 H32 0.9500 .
C33 C34 1.375(6) .
C33 H33 0.9500 .
C34 C35 1.396(5) .
C34 H34 0.9500 .
C35 H35 0.9500 .
F1 B1 1.406(5) .
F2 B1 1.382(4) .
F3 B1 1.380(5) .
F4 B1 1.375(5) .
Cl1 C36 1.748(4) .
Cl2 C36 1.748(4) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 Cl3 1.633(7) .
C37 Cl4B 1.718(6) .
C37 Cl3B 1.803(7) .
C37 Cl4 1.894(7) .
Cl3B Cl3 0.881(5) .
Cl4 Cl4B 0.984(5) .
Cl4B Cl3 2.360(5) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C23 Rh1 S1 C8 -158.4(15) . 2_766
P2 Rh1 S1 C8 -101.70(11) . 2_766
P1 Rh1 S1 C8 84.61(11) . 2_766
C23 Rh1 S1 C1 -50.4(15) . .
P2 Rh1 S1 C1 6.26(12) . .
P1 Rh1 S1 C1 -167.43(12) . .
C23 Rh1 P1 C11 35.53(16) . .
P2 Rh1 P1 C11 152.2(2) . .
S1 Rh1 P1 C11 -148.30(11) . .
C23 Rh1 P1 C17 -83.22(16) . .
P2 Rh1 P1 C17 33.4(3) . .
S1 Rh1 P1 C17 92.95(12) . .
C23 Rh1 P1 C3 159.49(16) . .
P2 Rh1 P1 C3 -83.8(3) . .
S1 Rh1 P1 C3 -24.33(12) . .
C23 Rh1 P2 C30 76.53(17) . .
P1 Rh1 P2 C30 -40.1(3) . .
S1 Rh1 P2 C30 -99.88(12) . .
C23 Rh1 P2 C24 -50.12(17) . .
P1 Rh1 P2 C24 -166.8(2) . .
S1 Rh1 P2 C24 133.47(13) . .
C23 Rh1 P2 C2 -167.40(16) . .
P1 Rh1 P2 C2 75.9(3) . .
S1 Rh1 P2 C2 16.19(12) . .
C8 S1 C1 C2 77.6(3) 2_766 .
Rh1 S1 C1 C2 -34.2(2) . .
S1 C1 C2 P2 50.6(3) . .
C30 P2 C2 C1 77.5(2) . .
C24 P2 C2 C1 -170.9(2) . .
Rh1 P2 C2 C1 -42.3(2) . .
C11 P1 C3 C4 51.8(3) . .
C17 P1 C3 C4 160.3(2) . .
Rh1 P1 C3 C4 -79.9(2) . .
C5 O1 C4 C3 -177.5(3) . .
P1 C3 C4 O1 172.8(2) . .
C4 O1 C5 C10 -4.5(5) . .
C4 O1 C5 C6 175.6(3) . .
O1 C5 C6 C7 -179.4(3) . .
C10 C5 C6 C7 0.7(5) . .
C5 C6 C7 C8 0.4(5) . .
C6 C7 C8 C9 -1.0(5) . .
C6 C7 C8 S1 177.8(2) . 2_766
C7 C8 C9 C10 0.6(5) . .
S1 C8 C9 C10 -178.4(3) 2_766 .
O1 C5 C10 C9 178.9(3) . .
C6 C5 C10 C9 -1.2(5) . .
C8 C9 C10 C5 0.6(5) . .
C17 P1 C11 C16 140.5(3) . .
C3 P1 C11 C16 -112.4(3) . .
Rh1 P1 C11 C16 20.2(3) . .
C17 P1 C11 C12 -44.9(3) . .
C3 P1 C11 C12 62.2(3) . .
Rh1 P1 C11 C12 -165.3(2) . .
C16 C11 C12 C13 -1.4(5) . .
P1 C11 C12 C13 -176.0(2) . .
C11 C12 C13 C14 -0.3(5) . .
C12 C13 C14 C15 1.7(5) . .
C13 C14 C15 C16 -1.3(5) . .
C12 C11 C16 C15 1.8(5) . .
P1 C11 C16 C15 176.3(3) . .
C14 C15 C16 C11 -0.4(5) . .
C11 P1 C17 C18 122.5(3) . .
C3 P1 C17 C18 16.7(3) . .
Rh1 P1 C17 C18 -110.6(3) . .
C11 P1 C17 C22 -59.9(3) . .
C3 P1 C17 C22 -165.7(3) . .
Rh1 P1 C17 C22 67.0(3) . .
C22 C17 C18 C19 1.3(5) . .
P1 C17 C18 C19 178.9(3) . .
C17 C18 C19 C20 -2.1(6) . .
C18 C19 C20 C21 2.1(6) . .
C19 C20 C21 C22 -1.4(6) . .
C20 C21 C22 C17 0.7(6) . .
C18 C17 C22 C21 -0.6(5) . .
P1 C17 C22 C21 -178.3(3) . .
P2 Rh1 C23 O2 -70(7) . .
P1 Rh1 C23 O2 103(7) . .
S1 Rh1 C23 O2 -14(8) . .
C30 P2 C24 C29 -6.2(3) . .
C2 P2 C24 C29 -118.4(3) . .
Rh1 P2 C24 C29 123.2(3) . .
C30 P2 C24 C25 172.3(3) . .
C2 P2 C24 C25 60.1(3) . .
Rh1 P2 C24 C25 -58.3(3) . .
C29 C24 C25 C26 1.6(5) . .
P2 C24 C25 C26 -177.0(3) . .
C24 C25 C26 C27 -1.6(6) . .
C25 C26 C27 C28 0.8(6) . .
C26 C27 C28 C29 0.1(6) . .
C25 C24 C29 C28 -0.7(5) . .
P2 C24 C29 C28 177.8(3) . .
C27 C28 C29 C24 -0.1(6) . .
C24 P2 C30 C31 -98.5(3) . .
C2 P2 C30 C31 11.5(3) . .
Rh1 P2 C30 C31 127.0(3) . .
C24 P2 C30 C35 82.7(3) . .
C2 P2 C30 C35 -167.3(3) . .
Rh1 P2 C30 C35 -51.8(3) . .
C35 C30 C31 C32 -0.2(5) . .
P2 C30 C31 C32 -179.0(3) . .
C30 C31 C32 C33 -0.4(5) . .
C31 C32 C33 C34 -0.2(6) . .
C32 C33 C34 C35 1.3(6) . .
C31 C30 C35 C34 1.3(5) . .
P2 C30 C35 C34 -179.9(3) . .
C33 C34 C35 C30 -1.9(6) . .
Cl4B C37 Cl3B Cl3 -45.4(5) . .
Cl4 C37 Cl3B Cl3 -78.7(6) . .
Cl3 C37 Cl4 Cl4B 52.9(5) . .
Cl3B C37 Cl4 Cl4B 83.4(6) . .
C37 Cl4 Cl4B Cl3 -34.3(3) . .
Cl3 C37 Cl4B Cl4 -131.3(5) . .
Cl3B C37 Cl4B Cl4 -111.0(5) . .
Cl3B C37 Cl4B Cl3 20.3(3) . .
Cl4 C37 Cl4B Cl3 131.3(5) . .
C37 Cl3B Cl3 Cl4B 33.9(3) . .
Cl4B C37 Cl3 Cl3B 138.4(5) . .
Cl4 C37 Cl3 Cl3B 114.0(5) . .
Cl3B C37 Cl3 Cl4B -138.4(5) . .
Cl4 C37 Cl3 Cl4B -24.3(2) . .
Cl4 Cl4B Cl3 Cl3B 4.3(6) . .
C37 Cl4B Cl3 Cl3B -49.8(6) . .
Cl4 Cl4B Cl3 C37 54.1(5) . .
