#------------------------------------------------------------------------------
#$Date: 2019-11-17 04:52:43 +0200 (Sun, 17 Nov 2019) $
#$Revision: 227967 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/97/1549749.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_1549749
loop_
_publ_author_name
'Serrano-Maldonado, A.'
'Rozenel, S. S.'
'Jimenez-Santiago, J. L.'
'Guerrero-Ríos, I.'
'Martin, E.'
_publ_section_title
;
 Rh nanoparticles from thiolate dimers: selective and reusable
 hydrogenation catalysts in ionic liquids
;
_journal_issue                   17
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              4373
_journal_paper_doi               10.1039/C8CY00227D
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C28 H46 Rh2 S2, 0.5 (C6 H14)'
_chemical_formula_sum            'C31 H53 Rh2 S2'
_chemical_formula_weight         695.67
_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-02 deposited with the CCDC.
2018-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.2390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8550(4)
_cell_length_b                   28.6007(12)
_cell_length_c                   10.8441(4)
_cell_measurement_reflns_used    7304
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.311
_cell_measurement_theta_min      2.150
_cell_volume                     2937.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0850
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7462
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.311
_diffrn_reflns_theta_min         2.150
_diffrn_source                   'FINE-FOCUS SEALED TUBE'
_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       plate
_exptl_crystal_F_000             1444
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.740
_refine_diff_density_min         -1.444
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         7304
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0226P)²+32.0387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1230
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6306
_reflns_number_total             7304
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8cy00227d2.cif
_cod_data_source_block           AS02
_cod_depositor_comments
'Adding full bibliography for 1549749--1549750.cif.'
_cod_database_code               1549749
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.882
_shelx_estimated_absorpt_t_max   0.987
_publcif_funding_html
;
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C1 C 0.1682(7) 0.1955(2) 0.6675(7) 0.0139(14) Uani 1 1 d . U
H1 H 0.0852 0.2044 0.5748 0.017 Uiso 1 1 calc R U
C2 C 0.2909(7) 0.2210(2) 0.7003(7) 0.0156(14) Uani 1 1 d . .
H2 H 0.2800 0.2447 0.6280 0.019 Uiso 1 1 calc R U
C3 C 0.3990(8) 0.2335(3) 0.8521(8) 0.0203(16) Uani 1 1 d . .
H3A H 0.3509 0.2355 0.9095 0.024 Uiso 1 1 calc R U
H3B H 0.4394 0.2647 0.8533 0.024 Uiso 1 1 calc R U
C4 C 0.5192(7) 0.1975(2) 0.9190(7) 0.0130(13) Uani 1 1 d . .
H4A H 0.5948 0.2063 0.8973 0.016 Uiso 1 1 calc R U
H4B H 0.5597 0.1981 1.0229 0.016 Uiso 1 1 calc R U
C5 C 0.4695(7) 0.1481(2) 0.8656(7) 0.0124(13) Uani 1 1 d . .
H5 H 0.5481 0.1257 0.8871 0.015 Uiso 1 1 calc R U
C6 C 0.3489(7) 0.1271(3) 0.8540(7) 0.0127(14) Uani 1 1 d . .
H6 H 0.3563 0.0924 0.8677 0.015 Uiso 1 1 calc R U
C7 C 0.2503(8) 0.1508(3) 0.8974(8) 0.0198(15) Uani 1 1 d . U
H7A H 0.3051 0.1732 0.9748 0.024 Uiso 1 1 calc R U
H7B H 0.2102 0.1270 0.9338 0.024 Uiso 1 1 calc R U
C8 C 0.1283(7) 0.1772(3) 0.7730(7) 0.0189(16) Uani 1 1 d . .
H8A H 0.0467 0.1558 0.7244 0.023 Uiso 1 1 calc R U
H8B H 0.0984 0.2037 0.8111 0.023 Uiso 1 1 calc R U
C11 C 0.6921(7) 0.1450(3) 0.6544(7) 0.0141(13) Uani 1 1 d . .
H11 H 0.7128 0.1226 0.7328 0.017 Uiso 1 1 calc R U
C12 C 0.6781(7) 0.1246(2) 0.5325(7) 0.0100(13) Uani 1 1 d . .
H12 H 0.6886 0.0898 0.5392 0.012 Uiso 1 1 calc R U
C13 C 0.7241(8) 0.1468(3) 0.4324(8) 0.0194(15) Uani 1 1 d . .
H13A H 0.8030 0.1687 0.4867 0.023 Uiso 1 1 calc R U
H13B H 0.7592 0.1219 0.3939 0.023 Uiso 1 1 calc R U
C14 C 0.6044(7) 0.1731(3) 0.3100(7) 0.0176(15) Uani 1 1 d . .
H14A H 0.5554 0.1516 0.2286 0.021 Uiso 1 1 calc R U
H14B H 0.6446 0.1991 0.2806 0.021 Uiso 1 1 calc R U
C15 C 0.4969(7) 0.1929(3) 0.3496(7) 0.0166(15) Uani 1 1 d . .
H15 H 0.4051 0.2023 0.2665 0.020 Uiso 1 1 calc R U
C16 C 0.5305(7) 0.2177(2) 0.4723(8) 0.0164(14) Uani 1 1 d . .
H16 H 0.4588 0.2418 0.4608 0.020 Uiso 1 1 calc R U
C17 C 0.6808(8) 0.2301(3) 0.5822(8) 0.0190(15) Uani 1 1 d . .
H17A H 0.6815 0.2614 0.6217 0.023 Uiso 1 1 calc R U
H17B H 0.7402 0.2317 0.5363 0.023 Uiso 1 1 calc R U
C18 C 0.7436(7) 0.1943(3) 0.7025(7) 0.0162(14) Uani 1 1 d . .
H18A H 0.8478 0.1950 0.7461 0.019 Uiso 1 1 calc R U
H18B H 0.7190 0.2035 0.7759 0.019 Uiso 1 1 calc R U
C21 C 0.5053(7) 0.0433(2) 0.7154(7) 0.0134(14) Uani 1 1 d . .
H21 H 0.5462 0.0598 0.8083 0.016 Uiso 1 1 calc R U
C22 C 0.6260(8) 0.0235(3) 0.6980(7) 0.0174(14) Uani 1 1 d . .
H22A H 0.6907 0.0491 0.7056 0.021 Uiso 1 1 calc R U
H22B H 0.5878 0.0092 0.6031 0.021 Uiso 1 1 calc R U
C23 C 0.7073(9) -0.0132(3) 0.8103(9) 0.0277(18) Uani 1 1 d . .
H23A H 0.7816 -0.0268 0.7934 0.033 Uiso 1 1 calc R U
H23B H 0.7542 0.0019 0.9044 0.033 Uiso 1 1 calc R U
C24 C 0.6117(10) -0.0521(3) 0.8100(8) 0.0285(18) Uani 1 1 d . .
H24A H 0.5735 -0.0696 0.7199 0.034 Uiso 1 1 calc R U
H24B H 0.6679 -0.0741 0.8879 0.034 Uiso 1 1 calc R U
C25 C 0.4914(11) -0.0335(3) 0.8271(9) 0.031(2) Uani 1 1 d . .
H25A H 0.5289 -0.0196 0.9224 0.037 Uiso 1 1 calc R U
H25B H 0.4279 -0.0596 0.8189 0.037 Uiso 1 1 calc R U
C26 C 0.4071(9) 0.0038(3) 0.7147(9) 0.0234(16) Uani 1 1 d . .
H26A H 0.3340 0.0173 0.7336 0.028 Uiso 1 1 calc R U
H26B H 0.3589 -0.0111 0.6202 0.028 Uiso 1 1 calc R U
C31 C 0.1156(6) 0.1299(2) 0.2877(6) 0.0105(11) Uani 1 1 d . .
H31 H 0.1575 0.0980 0.3170 0.013 Uiso 1 1 calc R U
C32 C 0.0955(8) 0.1403(3) 0.1428(8) 0.0223(17) Uani 1 1 d . .
H32A H 0.1867 0.1364 0.1440 0.027 Uiso 1 1 calc R U
H32B H 0.0653 0.1732 0.1181 0.027 Uiso 1 1 calc R U
C33 C -0.0164(8) 0.1077(3) 0.0284(8) 0.0222(16) Uani 1 1 d . .
H33A H -0.0312 0.1168 -0.0659 0.027 Uiso 1 1 calc R U
H33B H 0.0183 0.0750 0.0467 0.027 Uiso 1 1 calc R U
C34 C -0.1534(7) 0.1107(3) 0.0298(7) 0.0191(14) Uani 1 1 d . .
H34A H -0.2216 0.0883 -0.0395 0.023 Uiso 1 1 calc R U
H34B H -0.1930 0.1425 0.0015 0.023 Uiso 1 1 calc R U
C35 C -0.1329(10) 0.0998(4) 0.1749(9) 0.039(2) Uani 1 1 d . .
H35A H -0.1028 0.0669 0.1987 0.047 Uiso 1 1 calc R U
H35B H -0.2241 0.1036 0.1739 0.047 Uiso 1 1 calc R U
C36 C -0.0245(9) 0.1312(4) 0.2869(9) 0.032(2) Uani 1 1 d . .
H36A H -0.0098 0.1214 0.3806 0.038 Uiso 1 1 calc R U
H36B H -0.0605 0.1637 0.2701 0.038 Uiso 1 1 calc R U
C101 C 0.0131(15) 0.0460(6) 0.703(2) 0.109(8) Uani 1 1 d . .
H10A H -0.0192 0.0786 0.6875 0.163 Uiso 1 1 calc R U
H10B H -0.0387 0.0282 0.7397 0.163 Uiso 1 1 calc R U
H10C H 0.1144 0.0450 0.7704 0.163 Uiso 1 1 calc R U
C102 C -0.007(6) 0.0301(19) 0.598(4) 0.43(5) Uani 1 1 d . .
H10D H 0.0410 0.0528 0.5663 0.516 Uiso 1 1 calc R U
H10E H -0.1089 0.0363 0.5362 0.516 Uiso 1 1 calc R U
C103 C 0.008(3) -0.0052(9) 0.550(5) 0.18(2) Uani 1 1 d . .
H10F H 0.1036 -0.0182 0.6091 0.220 Uiso 1 1 calc R U
H10G H -0.0631 -0.0287 0.5408 0.220 Uiso 1 1 calc R U
S1 S 0.39161(18) 0.08484(4) 0.57482(17) 0.0095(2) Uani 1 1 d . .
S2 S 0.23891(15) 0.17305(5) 0.41315(15) 0.0087(3) Uani 1 1 d . .
Rh1 Rh 0.47460(5) 0.14818(2) 0.49491(5) 0.00811(11) Uani 1 1 d . .
Rh2 Rh 0.31274(5) 0.14998(2) 0.64792(5) 0.00794(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 0.0000 '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'
S S 0.1246 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.0000 '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
C2 C1 C8 125.4(6) . .
C2 C1 Rh2 71.8(4) . .
C8 C1 Rh2 111.3(5) . .
C2 C1 H1 113.6 . .
C8 C1 H1 113.6 . .
Rh2 C1 H1 113.6 . .
C1 C2 C3 122.0(7) . .
C1 C2 Rh2 69.9(4) . .
C3 C2 Rh2 112.4(4) . .
C1 C2 H2 114.8 . .
C3 C2 H2 114.8 . .
Rh2 C2 H2 114.8 . .
C2 C3 C4 112.3(6) . .
C2 C3 H3A 109.1 . .
C4 C3 H3A 109.1 . .
C2 C3 H3B 109.1 . .
C4 C3 H3B 109.1 . .
H3A C3 H3B 107.9 . .
C5 C4 C3 112.4(6) . .
C5 C4 H4A 109.1 . .
C3 C4 H4A 109.1 . .
C5 C4 H4B 109.1 . .
C3 C4 H4B 109.1 . .
H4A C4 H4B 107.9 . .
C6 C5 C4 125.5(6) . .
C6 C5 Rh2 72.7(4) . .
C4 C5 Rh2 109.9(4) . .
C6 C5 H5 113.7 . .
C4 C5 H5 113.7 . .
Rh2 C5 H5 113.7 . .
C5 C6 C7 123.5(7) . .
C5 C6 Rh2 69.6(4) . .
C7 C6 Rh2 112.4(5) . .
C5 C6 H6 114.4 . .
C7 C6 H6 114.4 . .
Rh2 C6 H6 114.4 . .
C6 C7 C8 112.3(6) . .
C6 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
C6 C7 H7B 109.1 . .
C8 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
C1 C8 C7 113.1(6) . .
C1 C8 H8A 109.0 . .
C7 C8 H8A 109.0 . .
C1 C8 H8B 109.0 . .
C7 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C12 C11 C18 125.0(6) . .
C12 C11 Rh1 71.5(4) . .
C18 C11 Rh1 108.4(4) . .
C12 C11 H11 114.5 . .
C18 C11 H11 114.5 . .
Rh1 C11 H11 114.5 . .
C11 C12 C13 125.4(6) . .
C11 C12 Rh1 70.9(4) . .
C13 C12 Rh1 113.3(4) . .
C11 C12 H12 113.3 . .
C13 C12 H12 113.3 . .
Rh1 C12 H12 113.3 . .
C14 C13 C12 112.7(6) . .
C14 C13 H13A 109.1 . .
C12 C13 H13A 109.1 . .
C14 C13 H13B 109.1 . .
C12 C13 H13B 109.1 . .
H13A C13 H13B 107.8 . .
C13 C14 C15 112.3(6) . .
C13 C14 H14A 109.2 . .
C15 C14 H14A 109.2 . .
C13 C14 H14B 109.2 . .
C15 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C16 C15 C14 125.2(6) . .
C16 C15 Rh1 70.8(4) . .
C14 C15 Rh1 111.2(5) . .
C16 C15 H15 113.9 . .
C14 C15 H15 113.9 . .
Rh1 C15 H15 113.9 . .
C15 C16 C17 123.4(6) . .
C15 C16 Rh1 71.1(4) . .
C17 C16 Rh1 112.6(5) . .
C15 C16 H16 114.1 . .
C17 C16 H16 114.1 . .
Rh1 C16 H16 114.1 . .
C16 C17 C18 111.9(6) . .
C16 C17 H17A 109.2 . .
C18 C17 H17A 109.2 . .
C16 C17 H17B 109.2 . .
C18 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C11 C18 C17 113.2(6) . .
C11 C18 H18A 108.9 . .
C17 C18 H18A 108.9 . .
C11 C18 H18B 108.9 . .
C17 C18 H18B 108.9 . .
H18A C18 H18B 107.8 . .
C22 C21 C26 111.0(6) . .
C22 C21 S1 113.9(5) . .
C26 C21 S1 106.5(5) . .
C22 C21 H21 108.4 . .
C26 C21 H21 108.4 . .
S1 C21 H21 108.4 . .
C21 C22 C23 110.9(6) . .
C21 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
C24 C23 C22 112.0(7) . .
C24 C23 H23A 109.2 . .
C22 C23 H23A 109.2 . .
C24 C23 H23B 109.2 . .
C22 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
C25 C24 C23 112.0(7) . .
C25 C24 H24A 109.2 . .
C23 C24 H24A 109.2 . .
C25 C24 H24B 109.2 . .
C23 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C24 C25 C26 111.3(7) . .
C24 C25 H25A 109.4 . .
C26 C25 H25A 109.4 . .
C24 C25 H25B 109.4 . .
C26 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
C25 C26 C21 111.1(7) . .
C25 C26 H26A 109.4 . .
C21 C26 H26A 109.4 . .
C25 C26 H26B 109.4 . .
C21 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
C32 C31 C36 110.8(5) . .
C32 C31 S2 108.8(5) . .
C36 C31 S2 110.7(5) . .
C32 C31 H31 108.8 . .
C36 C31 H31 108.8 . .
S2 C31 H31 108.8 . .
C31 C32 C33 111.9(6) . .
C31 C32 H32A 109.2 . .
C33 C32 H32A 109.2 . .
C31 C32 H32B 109.2 . .
C33 C32 H32B 109.2 . .
H32A C32 H32B 107.9 . .
C34 C33 C32 110.5(6) . .
C34 C33 H33A 109.6 . .
C32 C33 H33A 109.6 . .
C34 C33 H33B 109.6 . .
C32 C33 H33B 109.6 . .
H33A C33 H33B 108.1 . .
C33 C34 C35 111.0(6) . .
C33 C34 H34A 109.4 . .
C35 C34 H34A 109.4 . .
C33 C34 H34B 109.4 . .
C35 C34 H34B 109.4 . .
H34A C34 H34B 108.0 . .
C34 C35 C36 112.1(7) . .
C34 C35 H35A 109.2 . .
C36 C35 H35A 109.2 . .
C34 C35 H35B 109.2 . .
C36 C35 H35B 109.2 . .
H35A C35 H35B 107.9 . .
C35 C36 C31 112.1(7) . .
C35 C36 H36A 109.2 . .
C31 C36 H36A 109.2 . .
C35 C36 H36B 109.2 . .
C31 C36 H36B 109.2 . .
H36A C36 H36B 107.9 . .
C102 C101 H10A 109.5 . .
C102 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C102 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
C101 C102 C103 141(5) . .
C101 C102 C103 171(5) . 3_556
C103 C102 C103 36(2) . 3_556
C101 C102 H10D 101.8 . .
C103 C102 H10D 101.8 . .
C103 C102 H10D 73.8 3_556 .
C101 C102 H10E 101.8 . .
C103 C102 H10E 101.8 . .
C103 C102 H10E 87.3 3_556 .
H10D C102 H10E 104.7 . .
C103 C103 C102 103(4) 3_556 .
C103 C103 C102 41(4) 3_556 3_556
C102 C103 C102 144(2) . 3_556
C103 C103 H10F 111.2 3_556 .
C102 C103 H10F 111.2 . .
C102 C103 H10F 88.5 3_556 .
C103 C103 H10G 111.2 3_556 .
C102 C103 H10G 111.2 . .
C102 C103 H10G 88.5 3_556 .
H10F C103 H10G 109.1 . .
C21 S1 Rh2 116.0(2) . .
C21 S1 Rh1 125.0(2) . .
Rh2 S1 Rh1 77.45(4) . .
C31 S2 Rh2 110.6(2) . .
C31 S2 Rh1 109.7(2) . .
Rh2 S2 Rh1 77.10(4) . .
C16 Rh1 C15 38.1(3) . .
C16 Rh1 C11 82.4(3) . .
C15 Rh1 C11 98.3(3) . .
C16 Rh1 C12 89.5(3) . .
C15 Rh1 C12 81.4(3) . .
C11 Rh1 C12 37.6(2) . .
C16 Rh1 S1 159.7(2) . .
C15 Rh1 S1 158.4(2) . .
C11 Rh1 S1 98.0(2) . .
C12 Rh1 S1 103.29(18) . .
C16 Rh1 S2 89.59(19) . .
C15 Rh1 S2 92.01(19) . .
C11 Rh1 S2 151.32(19) . .
C12 Rh1 S2 170.49(17) . .
S1 Rh1 S2 80.36(6) . .
C16 Rh1 Rh2 109.30(19) . .
C15 Rh1 Rh2 136.0(2) . .
C11 Rh1 Rh2 105.74(19) . .
C12 Rh1 Rh2 137.60(16) . .
S1 Rh1 Rh2 50.92(4) . .
S2 Rh1 Rh2 51.27(4) . .
C1 Rh2 C5 97.7(3) . .
C1 Rh2 C2 38.3(3) . .
C5 Rh2 C2 82.1(3) . .
C1 Rh2 C6 81.6(3) . .
C5 Rh2 C6 37.6(3) . .
C2 Rh2 C6 90.1(3) . .
C1 Rh2 S1 158.3(2) . .
C5 Rh2 S1 97.41(18) . .
C2 Rh2 S1 160.8(2) . .
C6 Rh2 S1 101.28(19) . .
C1 Rh2 S2 93.32(19) . .
C5 Rh2 S2 150.28(19) . .
C2 Rh2 S2 89.87(19) . .
C6 Rh2 S2 171.81(18) . .
S1 Rh2 S2 81.09(6) . .
C1 Rh2 Rh1 137.6(2) . .
C5 Rh2 Rh1 104.49(18) . .
C2 Rh2 Rh1 109.7(2) . .
C6 Rh2 Rh1 135.68(18) . .
S1 Rh2 Rh1 51.63(4) . .
S2 Rh2 Rh1 51.63(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.403(10) .
C1 C8 1.502(10) .
C1 Rh2 2.128(6) .
C1 H1 1.0000 .
C2 C3 1.526(10) .
C2 Rh2 2.153(6) .
C2 H2 1.0000 .
C3 C4 1.538(10) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.521(9) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.389(10) .
C5 Rh2 2.132(6) .
C5 H5 1.0000 .
C6 C7 1.525(9) .
C6 Rh2 2.172(7) .
C6 H6 1.0000 .
C7 C8 1.548(10) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C11 C12 1.384(9) .
C11 C18 1.512(10) .
C11 Rh1 2.141(6) .
C11 H11 1.0000 .
C12 C13 1.536(9) .
C12 Rh1 2.149(6) .
C12 H12 1.0000 .
C13 C14 1.527(10) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.535(10) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.390(10) .
C15 Rh1 2.132(6) .
C15 H15 1.0000 .
C16 C17 1.519(10) .
C16 Rh1 2.129(6) .
C16 H16 1.0000 .
C17 C18 1.532(10) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C21 C22 1.522(10) .
C21 C26 1.551(10) .
C21 S1 1.849(6) .
C21 H21 1.0000 .
C22 C23 1.521(10) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.519(12) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.503(12) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.539(11) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C31 C32 1.506(10) .
C31 C36 1.517(10) .
C31 S2 1.840(6) .
C31 H31 1.0000 .
C32 C33 1.553(10) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.497(10) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.510(11) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.506(11) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C101 C102 1.14(3) .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
C102 C103 1.18(5) .
C102 C103 1.75(6) 3_556
C102 H10D 0.9900 .
C102 H10E 0.9900 .
C103 C103 1.06(8) 3_556
C103 C102 1.75(6) 3_556
C103 H10F 0.9900 .
C103 H10G 0.9900 .
S1 Rh2 2.3443(16) .
S1 Rh1 2.3679(16) .
S2 Rh2 2.3592(16) .
S2 Rh1 2.3710(16) .
Rh1 Rh2 2.9480(6) .
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
C8 C1 C2 C3 -0.8(10) . .
Rh2 C1 C2 C3 -104.5(6) . .
C8 C1 C2 Rh2 103.6(7) . .
C1 C2 C3 C4 93.8(8) . .
Rh2 C2 C3 C4 14.2(8) . .
C2 C3 C4 C5 -33.2(9) . .
C3 C4 C5 C6 -46.5(9) . .
C3 C4 C5 Rh2 36.0(7) . .
C4 C5 C6 C7 -1.5(11) . .
Rh2 C5 C6 C7 -104.1(6) . .
C4 C5 C6 Rh2 102.5(6) . .
C5 C6 C7 C8 91.9(8) . .
Rh2 C6 C7 C8 12.2(8) . .
C2 C1 C8 C7 -48.5(9) . .
Rh2 C1 C8 C7 33.8(8) . .
C6 C7 C8 C1 -30.2(9) . .
C18 C11 C12 C13 5.6(10) . .
Rh1 C11 C12 C13 105.5(6) . .
C18 C11 C12 Rh1 -99.9(6) . .
C11 C12 C13 C14 -93.7(8) . .
Rh1 C12 C13 C14 -11.3(8) . .
C12 C13 C14 C15 29.2(8) . .
C13 C14 C15 C16 47.4(9) . .
C13 C14 C15 Rh1 -33.5(7) . .
C14 C15 C16 C17 2.2(10) . .
Rh1 C15 C16 C17 105.2(6) . .
C14 C15 C16 Rh1 -102.9(6) . .
C15 C16 C17 C18 -95.0(8) . .
Rh1 C16 C17 C18 -13.4(8) . .
C12 C11 C18 C17 42.9(9) . .
Rh1 C11 C18 C17 -37.0(7) . .
C16 C17 C18 C11 33.7(9) . .
C26 C21 C22 C23 -55.2(8) . .
S1 C21 C22 C23 -175.4(5) . .
C21 C22 C23 C24 55.7(9) . .
C22 C23 C24 C25 -55.7(9) . .
C23 C24 C25 C26 54.7(10) . .
C24 C25 C26 C21 -54.3(9) . .
C22 C21 C26 C25 54.7(8) . .
S1 C21 C26 C25 179.2(5) . .
C36 C31 C32 C33 -53.7(8) . .
S2 C31 C32 C33 -175.6(5) . .
C31 C32 C33 C34 55.6(9) . .
C32 C33 C34 C35 -55.7(9) . .
C33 C34 C35 C36 56.2(11) . .
C34 C35 C36 C31 -54.8(11) . .
C32 C31 C36 C35 53.5(10) . .
S2 C31 C36 C35 174.2(7) . .
C101 C102 C103 C103 -166(9) . 3_556
C101 C102 C103 C102 -166(9) . 3_556
C103 C102 C103 C102 0.000(6) 3_556 3_556
C22 C21 S1 Rh2 -141.1(4) . .
C26 C21 S1 Rh2 96.2(4) . .
C22 C21 S1 Rh1 -48.4(6) . .
C26 C21 S1 Rh1 -171.1(4) . .
C32 C31 S2 Rh2 -168.1(4) . .
C36 C31 S2 Rh2 70.0(6) . .
C32 C31 S2 Rh1 -84.9(5) . .
C36 C31 S2 Rh1 153.2(5) . .
