#------------------------------------------------------------------------------
#$Date: 2015-10-09 09:01:57 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161117 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/63/7036307.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_7036307
loop_
_publ_author_name
'Nejman, Phillip S.'
'Morton-Fernandez, Brian'
'Moulding, David J.'
'Athukorala Arachchige, Kasun S.'
'Cordes, David B.'
'Slawin, Alexandra M. Z.'
'Kilian, Petr'
'Woollins, J. Derek'
_publ_section_title
;
 Structural diversity of bimetallic rhodium and iridium half sandwich
 dithiolato complexes.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16758
_journal_page_last               16766
_journal_paper_doi               10.1039/c5dt02542g
_journal_volume                  44
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C78 H88 Cl6 Rh4 S6'
_chemical_formula_sum            'C78 H88 Cl6 Rh4 S6'
_chemical_formula_weight         1842.25
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-05-18
_audit_creation_method           'by CrystalStructure 4.1'
_audit_update_record
;
2015-07-29 deposited with the CCDC.
2015-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   29.217(4)
_cell_length_b                   44.750(7)
_cell_length_c                   11.2618(17)
_cell_measurement_reflns_used    11313
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      1.80
_cell_volume                     14724(4)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b32'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b32'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_laue_measured_fraction_full 0.994
_diffrn_reflns_laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16519
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.408
_diffrn_reflns_theta_min         1.820
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.311
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7472.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.94
_refine_ls_abs_structure_details
;
 Flack x determined using 2782 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, S., Flack, H. D and Wagner, T., Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.034(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     434
_refine_ls_number_reflns         6472
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0575P)²+58.9304P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                6314
_reflns_number_total             6472
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c5dt02542g2.cif
_cod_data_source_block           3d
_cod_depositor_comments
'Adding full bibliography for 7036305--7036311.cif.'
_cod_database_code               7036307
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'-x+1/2, -y, z+1/2'
'x, y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'-x+1/2, -y+1/2, z+1'
'x+1/2, y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'-x+1, -y, z+1'
'x+1/2, y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'
'-x+1, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Rh1 Rh 0.63708(2) 0.69829(2) 0.10612(4) 0.01941(13) Uani 1 1 d . .
Rh2 Rh 0.64218(2) 0.76036(2) -0.04849(4) 0.02396(14) Uani 1 1 d . .
Cl1 Cl 0.72541(8) 0.64241(5) -0.3927(3) 0.0627(6) Uani 1 1 d . .
Cl2 Cl 0.59646(10) 0.60558(5) 0.4006(2) 0.0612(6) Uani 1 1 d . .
Cl3 Cl 0.68350(9) 0.58590(5) 0.2887(2) 0.0604(6) Uani 1 1 d . .
S1 S 0.64650(5) 0.70956(3) -0.09770(14) 0.0234(3) Uani 1 1 d . .
S8 S 0.58932(5) 0.73997(3) 0.09086(14) 0.0226(3) Uani 1 1 d . .
S41 S 0.69403(5) 0.73894(3) 0.09963(14) 0.0213(3) Uani 1 1 d . .
C1 C 0.5988(2) 0.69362(14) -0.1764(5) 0.0256(13) Uani 1 1 d . .
C2 C 0.5507(2) 0.69593(13) -0.1566(6) 0.0262(13) Uani 1 1 d . .
C3 C 0.5240(2) 0.67483(13) -0.2208(7) 0.0326(14) Uani 1 1 d . .
H3 H 0.4922 0.6738 -0.2036 0.039 Uiso 1 1 calc R U
C4 C 0.5408(3) 0.65583(15) -0.3059(7) 0.0393(16) Uani 1 1 d . .
H4 H 0.5207 0.6429 -0.3481 0.047 Uiso 1 1 calc R U
C5 C 0.5878(3) 0.65562(17) -0.3299(7) 0.0406(17) Uani 1 1 d . .
H5 H 0.6002 0.6431 -0.3900 0.049 Uiso 1 1 calc R U
C6 C 0.6157(2) 0.67427(15) -0.2628(6) 0.0318(15) Uani 1 1 d . .
H6 H 0.6477 0.6738 -0.2765 0.038 Uiso 1 1 calc R U
C7 C 0.5237(2) 0.71865(13) -0.0861(6) 0.0269(13) Uani 1 1 d . .
C8 C 0.5363(2) 0.73605(13) 0.0133(6) 0.0244(12) Uani 1 1 d . .
C9 C 0.5046(2) 0.75661(14) 0.0623(6) 0.0299(14) Uani 1 1 d . .
H9 H 0.5137 0.7678 0.1301 0.036 Uiso 1 1 calc R U
C10 C 0.4616(2) 0.76128(15) 0.0175(7) 0.0340(15) Uani 1 1 d . .
H10 H 0.4416 0.7756 0.0521 0.041 Uiso 1 1 calc R U
C11 C 0.4480(2) 0.74441(15) -0.0801(6) 0.0312(14) Uani 1 1 d . .
H11 H 0.4183 0.7468 -0.1131 0.037 Uiso 1 1 calc R U
C12 C 0.4784(2) 0.72430(14) -0.1278(6) 0.0298(14) Uani 1 1 d . .
H12 H 0.4684 0.7131 -0.1947 0.036 Uiso 1 1 calc R U
C13 C 0.5962(2) 0.67088(13) 0.2305(6) 0.0257(13) Uani 1 1 d . .
C14 C 0.6398(2) 0.67750(13) 0.2819(6) 0.0243(13) Uani 1 1 d . .
C15 C 0.6748(2) 0.66401(12) 0.2081(6) 0.0237(12) Uani 1 1 d . .
C16 C 0.6533(2) 0.65040(12) 0.1098(6) 0.0246(12) Uani 1 1 d . .
C17 C 0.6041(2) 0.65474(13) 0.1208(6) 0.0263(13) Uani 1 1 d . .
C18 C 0.5499(2) 0.67839(15) 0.2771(7) 0.0352(16) Uani 1 1 d . .
H18A H 0.5518 0.6964 0.3264 0.042 Uiso 1 1 calc R U
H18B H 0.5384 0.6617 0.3250 0.042 Uiso 1 1 calc R U
H18C H 0.5290 0.6820 0.2105 0.042 Uiso 1 1 calc R U
C19 C 0.6484(2) 0.69319(15) 0.3994(6) 0.0306(14) Uani 1 1 d . .
H19A H 0.6191 0.6976 0.4378 0.037 Uiso 1 1 calc R U
H19B H 0.6650 0.7119 0.3851 0.037 Uiso 1 1 calc R U
H19C H 0.6666 0.6802 0.4511 0.037 Uiso 1 1 calc R U
C20 C 0.7249(2) 0.66292(13) 0.2383(6) 0.0250(13) Uani 1 1 d . .
H20A H 0.7384 0.6828 0.2271 0.030 Uiso 1 1 calc R U
H20B H 0.7403 0.6485 0.1863 0.030 Uiso 1 1 calc R U
H20C H 0.7287 0.6567 0.3212 0.030 Uiso 1 1 calc R U
C21 C 0.6757(2) 0.63337(14) 0.0099(6) 0.0308(14) Uani 1 1 d . .
H21A H 0.6739 0.6119 0.0260 0.037 Uiso 1 1 calc R U
H21B H 0.7079 0.6393 0.0036 0.037 Uiso 1 1 calc R U
H21C H 0.6599 0.6378 -0.0648 0.037 Uiso 1 1 calc R U
C22 C 0.5678(2) 0.64053(14) 0.0460(7) 0.0337(15) Uani 1 1 d . .
H22A H 0.5629 0.6199 0.0722 0.040 Uiso 1 1 calc R U
H22B H 0.5775 0.6406 -0.0373 0.040 Uiso 1 1 calc R U
H22C H 0.5392 0.6518 0.0540 0.040 Uiso 1 1 calc R U
C23 C 0.6170(3) 0.80639(16) -0.0707(7) 0.0431(19) Uani 1 1 d . .
C24 C 0.6660(3) 0.80678(16) -0.0686(8) 0.053(2) Uani 1 1 d . .
C25 C 0.6828(2) 0.78963(16) -0.1676(8) 0.0404(18) Uani 1 1 d . .
C26 C 0.6448(2) 0.77817(16) -0.2301(7) 0.0348(16) Uani 1 1 d . .
C27 C 0.6037(2) 0.78816(14) -0.1702(6) 0.0265(14) Uani 1 1 d . .
C28 C 0.5854(4) 0.82333(17) 0.0070(8) 0.059(3) Uani 1 1 d . .
H28A H 0.5571 0.8119 0.0177 0.071 Uiso 1 1 calc R U
H28B H 0.5784 0.8426 -0.0297 0.071 Uiso 1 1 calc R U
H28C H 0.5999 0.8266 0.0843 0.071 Uiso 1 1 calc R U
C29 C 0.6959(5) 0.8247(2) 0.0141(11) 0.088(5) Uani 1 1 d . .
H29A H 0.6858 0.8215 0.0961 0.106 Uiso 1 1 calc R U
H29B H 0.6934 0.8459 -0.0058 0.106 Uiso 1 1 calc R U
H29C H 0.7278 0.8182 0.0056 0.106 Uiso 1 1 calc R U
C30 C 0.7320(3) 0.7880(3) -0.2053(12) 0.081(4) Uani 1 1 d . .
H30A H 0.7415 0.8074 -0.2378 0.097 Uiso 1 1 calc R U
H30B H 0.7356 0.7725 -0.2661 0.097 Uiso 1 1 calc R U
H30C H 0.7511 0.7831 -0.1365 0.097 Uiso 1 1 calc R U
C31 C 0.6455(3) 0.75928(18) -0.3409(8) 0.0439(19) Uani 1 1 d . .
H31A H 0.6751 0.7492 -0.3473 0.053 Uiso 1 1 calc R U
H31B H 0.6408 0.7721 -0.4105 0.053 Uiso 1 1 calc R U
H31C H 0.6210 0.7444 -0.3368 0.053 Uiso 1 1 calc R U
C32 C 0.5561(2) 0.78281(18) -0.2147(7) 0.0398(17) Uani 1 1 d . .
H32A H 0.5530 0.7619 -0.2400 0.048 Uiso 1 1 calc R U
H32B H 0.5499 0.7960 -0.2822 0.048 Uiso 1 1 calc R U
H32C H 0.5341 0.7869 -0.1510 0.048 Uiso 1 1 calc R U
C41 C 0.6946(2) 0.76276(12) 0.2284(5) 0.0227(12) Uani 1 1 d . .
C42 C 0.7307(2) 0.76114(12) 0.3114(6) 0.0224(12) Uani 1 1 d . .
C43 C 0.7298(2) 0.78055(14) 0.4101(6) 0.0275(13) Uani 1 1 d . .
H43 H 0.7535 0.7792 0.4676 0.033 Uiso 1 1 calc R U
C44 C 0.6952(3) 0.80168(14) 0.4257(6) 0.0342(16) Uani 1 1 d . .
H44 H 0.6954 0.8147 0.4922 0.041 Uiso 1 1 calc R U
C45 C 0.6605(2) 0.80319(14) 0.3429(8) 0.0361(16) Uani 1 1 d . .
H45 H 0.6368 0.8175 0.3521 0.043 Uiso 1 1 calc R U
C46 C 0.6600(2) 0.78416(13) 0.2470(7) 0.0297(14) Uani 1 1 d . .
H46 H 0.6356 0.7855 0.1916 0.036 Uiso 1 1 calc R U
C51 C 0.6566(4) 0.6055(2) 0.4100(9) 0.059(2) Uani 1 1 d . .
H51A H 0.6658 0.5960 0.4857 0.071 Uiso 1 1 calc R U
H51B H 0.6677 0.6264 0.4110 0.071 Uiso 1 1 calc R U
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(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
C17 Rh1 C14 64.4(3) .
C17 Rh1 C16 38.9(2) .
C14 Rh1 C16 63.9(2) .
C17 Rh1 C15 64.0(2) .
C14 Rh1 C15 38.5(2) .
C16 Rh1 C15 37.4(2) .
C17 Rh1 C13 38.5(3) .
C14 Rh1 C13 37.9(2) .
C16 Rh1 C13 64.1(2) .
C15 Rh1 C13 63.6(2) .
C17 Rh1 S8 117.05(16) .
C14 Rh1 S8 115.30(17) .
C16 Rh1 S8 155.48(16) .
C15 Rh1 S8 152.91(17) .
C13 Rh1 S8 99.60(16) .
C17 Rh1 S1 108.40(19) .
C14 Rh1 S1 164.55(17) .
C16 Rh1 S1 101.63(19) .
C15 Rh1 S1 126.43(17) .
C13 Rh1 S1 142.69(18) .
S8 Rh1 S1 80.09(6) .
C17 Rh1 S41 163.71(17) .
C14 Rh1 S41 108.43(17) .
C16 Rh1 S41 125.12(16) .
C15 Rh1 S41 100.99(16) .
C13 Rh1 S41 142.36(18) .
S8 Rh1 S41 79.15(5) .
S1 Rh1 S41 74.67(5) .
C27 Rh2 C26 38.7(3) .
C27 Rh2 C23 38.5(3) .
C26 Rh2 C23 64.3(3) .
C27 Rh2 C24 63.8(3) .
C26 Rh2 C24 63.3(3) .
C23 Rh2 C24 38.0(4) .
C27 Rh2 C25 63.7(3) .
C26 Rh2 C25 37.3(3) .
C23 Rh2 C25 63.8(3) .
C24 Rh2 C25 38.0(4) .
C27 Rh2 S1 115.81(18) .
C26 Rh2 S1 97.5(2) .
C23 Rh2 S1 154.0(2) .
C24 Rh2 S1 150.9(3) .
C25 Rh2 S1 113.6(2) .
C27 Rh2 S8 107.47(18) .
C26 Rh2 S8 140.74(18) .
C23 Rh2 S8 102.5(2) .
C24 Rh2 S8 129.3(3) .
C25 Rh2 S8 166.1(2) .
S1 Rh2 S8 79.58(5) .
C27 Rh2 S41 167.74(17) .
C26 Rh2 S41 139.04(18) .
C23 Rh2 S41 130.6(2) .
C24 Rh2 S41 104.1(2) .
C25 Rh2 S41 108.18(19) .
S1 Rh2 S41 75.40(5) .
S8 Rh2 S41 78.60(5) .
C1 S1 Rh2 117.3(2) .
C1 S1 Rh1 107.6(2) .
Rh2 S1 Rh1 88.35(6) .
C8 S8 Rh1 118.4(2) .
C8 S8 Rh2 106.1(2) .
Rh1 S8 Rh2 88.12(5) .
C41 S41 Rh2 108.9(2) .
C41 S41 Rh1 114.8(2) .
Rh2 S41 Rh1 83.78(5) .
C6 C1 C2 120.2(6) .
C6 C1 S1 108.4(5) .
C2 C1 S1 131.1(5) .
C3 C2 C1 114.4(6) .
C3 C2 C7 115.2(6) .
C1 C2 C7 130.2(5) .
C4 C3 C2 124.8(6) .
C4 C3 H3 117.6 .
C2 C3 H3 117.6 .
C3 C4 C5 119.3(6) .
C3 C4 H4 120.3 .
C5 C4 H4 120.3 .
C6 C5 C4 117.8(7) .
C6 C5 H5 121.1 .
C4 C5 H5 121.1 .
C5 C6 C1 123.0(7) .
C5 C6 H6 118.5 .
C1 C6 H6 118.5 .
C8 C7 C12 113.9(6) .
C8 C7 C2 130.5(6) .
C12 C7 C2 115.5(6) .
C7 C8 C9 119.8(6) .
C7 C8 S8 131.9(5) .
C9 C8 S8 108.2(5) .
C10 C9 C8 123.7(6) .
C10 C9 H9 118.2 .
C8 C9 H9 118.2 .
C9 C10 C11 118.0(6) .
C9 C10 H10 121.0 .
C11 C10 H10 121.0 .
C12 C11 C10 118.7(6) .
C12 C11 H11 120.7 .
C10 C11 H11 120.7 .
C11 C12 C7 126.0(6) .
C11 C12 H12 117.0 .
C7 C12 H12 117.0 .
C14 C13 C17 107.9(6) .
C14 C13 C18 128.3(6) .
C17 C13 C18 123.8(6) .
C14 C13 Rh1 70.2(3) .
C17 C13 Rh1 69.6(4) .
C18 C13 Rh1 126.0(4) .
C13 C14 C15 108.1(6) .
C13 C14 C19 126.6(6) .
C15 C14 C19 125.1(6) .
C13 C14 Rh1 71.9(4) .
C15 C14 Rh1 71.5(4) .
C19 C14 Rh1 126.7(4) .
C16 C15 C14 108.3(5) .
C16 C15 C20 126.7(6) .
C14 C15 C20 124.8(6) .
C16 C15 Rh1 70.7(3) .
C14 C15 Rh1 69.9(3) .
C20 C15 Rh1 128.7(4) .
C15 C16 C17 108.4(6) .
C15 C16 C21 127.5(5) .
C17 C16 C21 124.0(6) .
C15 C16 Rh1 71.9(3) .
C17 C16 Rh1 70.0(3) .
C21 C16 Rh1 124.9(4) .
C13 C17 C16 107.2(6) .
C13 C17 C22 125.5(6) .
C16 C17 C22 126.5(6) .
C13 C17 Rh1 71.9(3) .
C16 C17 Rh1 71.1(3) .
C22 C17 Rh1 130.6(5) .
C13 C18 H18A 109.5 .
C13 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C13 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C14 C19 H19A 109.5 .
C14 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C14 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C15 C20 H20A 109.5 .
C15 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C15 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
C16 C21 H21A 109.5 .
C16 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C16 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C17 C22 H22A 109.5 .
C17 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
C17 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C24 C23 C27 106.9(7) .
C24 C23 C28 127.3(8) .
C27 C23 C28 125.6(8) .
C24 C23 Rh2 71.0(4) .
C27 C23 Rh2 69.4(4) .
C28 C23 Rh2 128.3(6) .
C23 C24 C25 108.7(6) .
C23 C24 C29 126.6(10) .
C25 C24 C29 124.4(10) .
C23 C24 Rh2 71.0(4) .
C25 C24 Rh2 71.6(4) .
C29 C24 Rh2 128.4(5) .
C26 C25 C24 108.1(7) .
C26 C25 C30 126.6(9) .
C24 C25 C30 124.8(8) .
C26 C25 Rh2 70.4(4) .
C24 C25 Rh2 70.4(4) .
C30 C25 Rh2 130.9(6) .
C25 C26 C27 108.0(7) .
C25 C26 C31 127.2(7) .
C27 C26 C31 124.8(6) .
C25 C26 Rh2 72.3(4) .
C27 C26 Rh2 69.5(4) .
C31 C26 Rh2 124.6(5) .
C23 C27 C26 108.3(6) .
C23 C27 C32 127.0(7) .
C26 C27 C32 124.4(7) .
C23 C27 Rh2 72.1(4) .
C26 C27 Rh2 71.8(4) .
C32 C27 Rh2 127.0(5) .
C23 C28 H28A 109.5 .
C23 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
C23 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
C24 C29 H29A 109.5 .
C24 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C24 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C25 C30 H30A 109.5 .
C25 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C25 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C26 C31 H31A 109.5 .
C26 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
C26 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
C27 C32 H32A 109.5 .
C27 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
C27 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
C46 C41 C42 118.2(6) .
C46 C41 S41 121.0(5) .
C42 C41 S41 120.7(4) .
C41 C42 C43 118.5(5) .
C41 C42 C42 126.4(5) 8_664
C43 C42 C42 114.9(5) 8_664
C44 C43 C42 122.0(6) .
C44 C43 H43 119.0 .
C42 C43 H43 119.0 .
C45 C44 C43 118.7(6) .
C45 C44 H44 120.7 .
C43 C44 H44 120.7 .
C46 C45 C44 120.6(6) .
C46 C45 H45 119.7 .
C44 C45 H45 119.7 .
C45 C46 C41 122.0(6) .
C45 C46 H46 119.0 .
C41 C46 H46 119.0 .
Cl2 C51 Cl3 113.0(6) .
Cl2 C51 H51A 109.0 .
Cl3 C51 H51A 109.0 .
Cl2 C51 H51B 109.0 .
Cl3 C51 H51B 109.0 .
H51A C51 H51B 107.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C17 2.181(6) .
Rh1 C14 2.189(6) .
Rh1 C16 2.195(6) .
Rh1 C15 2.211(6) .
Rh1 C13 2.212(6) .
Rh1 S8 2.3358(14) .
Rh1 S1 2.3661(17) .
Rh1 S41 2.4663(14) .
Rh2 C27 2.166(6) .
Rh2 C26 2.196(7) .
Rh2 C23 2.202(7) .
Rh2 C24 2.203(7) .
Rh2 C25 2.219(7) .
Rh2 S1 2.3435(16) .
Rh2 S8 2.3835(16) .
Rh2 S41 2.4487(15) .
Cl2 C51 1.760(11) .
Cl3 C51 1.803(11) .
S1 C1 1.799(6) .
S8 C8 1.788(6) .
S41 C41 1.800(6) .
C1 C6 1.393(10) .
C1 C2 1.426(9) .
C2 C3 1.423(9) .
C2 C7 1.513(9) .
C3 C4 1.372(11) .
C3 H3 0.9500 .
C4 C5 1.399(11) .
C4 H4 0.9500 .
C5 C6 1.390(10) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.413(9) .
C7 C12 1.424(9) .
C8 C9 1.417(9) .
C9 C10 1.370(10) .
C9 H9 0.9500 .
C10 C11 1.391(11) .
C10 H10 0.9500 .
C11 C12 1.375(10) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.429(9) .
C13 C17 1.449(10) .
C13 C18 1.490(9) .
C14 C15 1.451(9) .
C14 C19 1.519(10) .
C15 C16 1.411(9) .
C15 C20 1.503(8) .
C16 C17 1.456(8) .
C16 C21 1.509(9) .
C17 C22 1.496(9) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.434(13) .
C23 C27 1.439(11) .
C23 C28 1.480(12) .
C24 C25 1.441(14) .
C24 C29 1.506(11) .
C25 C26 1.412(10) .
C25 C30 1.500(12) .
C26 C27 1.447(10) .
C26 C31 1.507(13) .
C27 C32 1.498(9) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C41 C46 1.409(9) .
C41 C42 1.410(9) .
C42 C43 1.410(9) .
C42 C42 1.506(12) 8_664
C43 C44 1.396(10) .
C43 H43 0.9500 .
C44 C45 1.378(11) .
C44 H44 0.9500 .
C45 C46 1.376(10) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
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
Rh2 S1 C1 C6 139.6(4) . .
Rh1 S1 C1 C6 -122.9(4) . .
Rh2 S1 C1 C2 -46.3(6) . .
Rh1 S1 C1 C2 51.2(6) . .
C6 C1 C2 C3 7.0(8) . .
S1 C1 C2 C3 -166.5(5) . .
C6 C1 C2 C7 -167.6(6) . .
S1 C1 C2 C7 18.9(10) . .
C1 C2 C3 C4 -7.4(9) . .
C7 C2 C3 C4 168.0(6) . .
C2 C3 C4 C5 3.0(11) . .
C3 C4 C5 C6 2.0(11) . .
C4 C5 C6 C1 -2.1(11) . .
C2 C1 C6 C5 -2.7(10) . .
S1 C1 C6 C5 172.1(6) . .
C3 C2 C7 C8 157.4(6) . .
C1 C2 C7 C8 -28.0(11) . .
C3 C2 C7 C12 -24.6(8) . .
C1 C2 C7 C12 150.0(6) . .
C12 C7 C8 C9 0.4(8) . .
C2 C7 C8 C9 178.4(6) . .
C12 C7 C8 S8 -174.0(5) . .
C2 C7 C8 S8 4.0(10) . .
Rh1 S8 C8 C7 -34.0(7) . .
Rh2 S8 C8 C7 62.7(6) . .
Rh1 S8 C8 C9 151.1(3) . .
Rh2 S8 C8 C9 -112.1(4) . .
C7 C8 C9 C10 -1.1(10) . .
S8 C8 C9 C10 174.5(5) . .
C8 C9 C10 C11 1.4(10) . .
C9 C10 C11 C12 -0.9(9) . .
C10 C11 C12 C7 0.3(10) . .
C8 C7 C12 C11 -0.1(9) . .
C2 C7 C12 C11 -178.4(6) . .
C17 C13 C14 C15 -3.2(7) . .
C18 C13 C14 C15 176.4(6) . .
Rh1 C13 C14 C15 -62.8(4) . .
C17 C13 C14 C19 -177.7(6) . .
C18 C13 C14 C19 1.9(10) . .
Rh1 C13 C14 C19 122.7(6) . .
C17 C13 C14 Rh1 59.6(4) . .
C18 C13 C14 Rh1 -120.8(6) . .
C13 C14 C15 C16 2.5(6) . .
C19 C14 C15 C16 177.1(6) . .
Rh1 C14 C15 C16 -60.6(4) . .
C13 C14 C15 C20 -173.1(5) . .
C19 C14 C15 C20 1.5(9) . .
Rh1 C14 C15 C20 123.9(5) . .
C13 C14 C15 Rh1 63.1(4) . .
C19 C14 C15 Rh1 -122.3(6) . .
C14 C15 C16 C17 -0.7(6) . .
C20 C15 C16 C17 174.7(5) . .
Rh1 C15 C16 C17 -60.8(4) . .
C14 C15 C16 C21 -179.3(6) . .
C20 C15 C16 C21 -3.9(10) . .
Rh1 C15 C16 C21 120.6(6) . .
C14 C15 C16 Rh1 60.1(4) . .
C20 C15 C16 Rh1 -124.5(6) . .
C14 C13 C17 C16 2.8(7) . .
C18 C13 C17 C16 -176.8(6) . .
Rh1 C13 C17 C16 62.8(4) . .
C14 C13 C17 C22 172.6(6) . .
C18 C13 C17 C22 -7.0(10) . .
Rh1 C13 C17 C22 -127.4(6) . .
C14 C13 C17 Rh1 -60.0(4) . .
C18 C13 C17 Rh1 120.4(6) . .
C15 C16 C17 C13 -1.3(7) . .
C21 C16 C17 C13 177.4(6) . .
Rh1 C16 C17 C13 -63.3(4) . .
C15 C16 C17 C22 -171.0(6) . .
C21 C16 C17 C22 7.7(10) . .
Rh1 C16 C17 C22 127.0(7) . .
C15 C16 C17 Rh1 62.0(4) . .
C21 C16 C17 Rh1 -119.3(6) . .
C27 C23 C24 C25 1.5(7) . .
C28 C23 C24 C25 -173.7(7) . .
Rh2 C23 C24 C25 62.0(5) . .
C27 C23 C24 C29 175.3(7) . .
C28 C23 C24 C29 0.0(12) . .
Rh2 C23 C24 C29 -124.2(8) . .
C27 C23 C24 Rh2 -60.5(5) . .
C28 C23 C24 Rh2 124.2(8) . .
C23 C24 C25 C26 -1.0(8) . .
C29 C24 C25 C26 -174.9(7) . .
Rh2 C24 C25 C26 60.6(5) . .
C23 C24 C25 C30 171.6(7) . .
C29 C24 C25 C30 -2.3(12) . .
Rh2 C24 C25 C30 -126.8(8) . .
C23 C24 C25 Rh2 -61.6(5) . .
C29 C24 C25 Rh2 124.5(7) . .
C24 C25 C26 C27 0.1(8) . .
C30 C25 C26 C27 -172.4(7) . .
Rh2 C25 C26 C27 60.6(5) . .
C24 C25 C26 C31 179.0(7) . .
C30 C25 C26 C31 6.6(12) . .
Rh2 C25 C26 C31 -120.4(7) . .
C24 C25 C26 Rh2 -60.6(5) . .
C30 C25 C26 Rh2 127.0(8) . .
C24 C23 C27 C26 -1.5(7) . .
C28 C23 C27 C26 173.9(7) . .
Rh2 C23 C27 C26 -63.0(5) . .
C24 C23 C27 C32 -175.1(6) . .
C28 C23 C27 C32 0.2(12) . .
Rh2 C23 C27 C32 123.3(7) . .
C24 C23 C27 Rh2 61.6(5) . .
C28 C23 C27 Rh2 -123.1(8) . .
C25 C26 C27 C23 0.9(8) . .
C31 C26 C27 C23 -178.1(6) . .
Rh2 C26 C27 C23 63.3(5) . .
C25 C26 C27 C32 174.7(6) . .
C31 C26 C27 C32 -4.3(11) . .
Rh2 C26 C27 C32 -122.9(6) . .
C25 C26 C27 Rh2 -62.4(5) . .
C31 C26 C27 Rh2 118.6(7) . .
Rh2 S41 C41 C46 17.0(5) . .
Rh1 S41 C41 C46 -74.8(5) . .
Rh2 S41 C41 C42 -160.9(4) . .
Rh1 S41 C41 C42 107.3(5) . .
C46 C41 C42 C43 1.3(8) . .
S41 C41 C42 C43 179.3(4) . .
C46 C41 C42 C42 176.3(6) . 8_664
S41 C41 C42 C42 -5.7(9) . 8_664
C41 C42 C43 C44 -1.8(9) . .
C42 C42 C43 C44 -177.4(6) 8_664 .
C42 C43 C44 C45 1.0(10) . .
C43 C44 C45 C46 0.3(10) . .
C44 C45 C46 C41 -0.7(10) . .
C42 C41 C46 C45 -0.1(9) . .
S41 C41 C46 C45 -178.0(5) . .
