#------------------------------------------------------------------------------
#$Date: 2017-01-29 19:58:41 +0200 (Sun, 29 Jan 2017) $
#$Revision: 191072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/20/4322071.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_4322071
loop_
_publ_author_name
'Takafumi Iwasa'
'Hitoshi Shimada'
'Atsushi Takami'
'Hiroyuki Matsuzaka'
'Youichi Ishii'
'Masanobu Hidai'
_publ_contact_author
;
    Masanobu Hidai
  Department of Chemistry and Biotechnology, Graduate School of Engineering,
  The University of Tokyo, Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan
;
_publ_contact_author_fax         ' +81-3-5800-6945 '
_publ_contact_author_phone       ' +81-3-3812-2111 ext 7261 '
_publ_section_title
;
 Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium,
 Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions
 with Nitrosobenzene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2851
_journal_page_last               2859
_journal_paper_doi               10.1021/ic981274e
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C50.5 H66 B Cl Rh2 S2'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Fri Jun  5 12:26:55 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.188(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   16.279(2)
_cell_length_b                   15.332(2)
_cell_length_c                   19.936(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      40.01
_cell_measurement_theta_min      38.76
_cell_volume                     4824.0(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.01932
_diffrn_orient_matrix_UB_12      -0.02874
_diffrn_orient_matrix_UB_13      0.03848
_diffrn_orient_matrix_UB_21      0.02962
_diffrn_orient_matrix_UB_22      -0.05489
_diffrn_orient_matrix_UB_23      -0.00764
_diffrn_orient_matrix_UB_31      0.05257
_diffrn_orient_matrix_UB_32      0.02036
_diffrn_orient_matrix_UB_33      0.03373
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  2.35
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            11909
_diffrn_reflns_theta_max         27.5188
_diffrn_reflns_theta_min         2.535
_diffrn_standards_decay_%        0.25
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 8.566
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.837
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            darkred
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2052.00
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.250
_refine_diff_density_max         -0.89800
_refine_diff_density_min         0.92190
_refine_ls_extinction_coef       3.06868
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.920
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         6942
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0400
_refine_ls_shift/esd_max         3.6370
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0260
_cod_data_source_file            ic981274e_2.cif
_cod_data_source_block
'[Cp*Rh((-H)((-SPri)2RhCp*][BPh4](J.5(CH2Cl2)(Compound6b(J.5(CH2Cl2))'
_cod_original_cell_volume        4824(1)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C50.5 H66 Rh2 S2 B Cl'
_cod_database_code               4322071
_cod_depositor_comments
;
 Changing the values of the _geom_angle_atom_site_label_1,
 _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3,
 _geom_bond_atom_site_label_1 and _geom_bond_atom_site_label_2
 data items to match the _atom_site_label data item values.

 Antanas Vaitkus,
 2017-01-29
;
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
1/2-x,1/2+y,1/2-z
'   -x,   -y,   -z'
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Rh1 0.01260(2) 0.22552(2) 0.31203(2) 0.0351 Uij ? ?
Rh2 0.08267(2) 0.15269(2) 0.21362(2) 0.0366 Uij ? ?
Cl1 0.0824(2) 0.4907(3) 0.5364(2) 0.2490 Uij ? ?
S1 0.09983(7) 0.10182(7) 0.32714(5) 0.0398 Uij ? ?
S2 -0.06022(7) 0.13828(8) 0.21856(5) 0.0473 Uij ? ?
C1 -0.0113(3) 0.3641(3) 0.3303(2) 0.0517 Uij ? ?
C2 -0.0787(3) 0.3145(3) 0.3446(2) 0.0442 Uij ? ?
C3 -0.0441(3) 0.2539(3) 0.3980(2) 0.0422 Uij ? ?
C4 0.0457(3) 0.2684(3) 0.4191(2) 0.0462 Uij ? ?
C5 0.0661(3) 0.3356(3) 0.3766(2) 0.0508 Uij ? ?
C6 -0.0207(4) 0.4400(3) 0.2818(3) 0.0923 Uij ? ?
C7 -0.1722(3) 0.3267(3) 0.3148(2) 0.0742 Uij ? ?
C8 -0.0946(3) 0.1957(3) 0.4330(2) 0.0627 Uij ? ?
C9 0.1077(3) 0.2245(3) 0.4767(2) 0.0711 Uij ? ?
C10 0.1517(3) 0.3756(3) 0.3816(3) 0.0890 Uij ? ?
C11 0.1287(3) 0.2184(3) 0.1325(2) 0.0533 Uij ? ?
C12 0.1980(3) 0.1988(3) 0.1895(2) 0.0509 Uij ? ?
C13 0.2026(3) 0.1061(3) 0.1965(2) 0.0427 Uij ? ?
C14 0.1349(3) 0.0698(3) 0.1446(2) 0.0449 Uij ? ?
C15 0.0903(3) 0.1393(3) 0.1048(2) 0.0491 Uij ? ?
C16 0.1084(4) 0.3080(3) 0.1014(3) 0.0910 Uij ? ?
C17 0.2602(3) 0.2621(3) 0.2314(3) 0.0807 Uij ? ?
C18 0.2685(3) 0.0560(3) 0.2471(3) 0.0642 Uij ? ?
C19 0.1191(3) -0.0250(3) 0.1276(2) 0.0622 Uij ? ?
C20 0.0188(3) 0.1278(4) 0.0416(2) 0.0744 Uij ? ?
C21 0.0426(3) -0.0014(3) 0.3314(2) 0.0527 Uij ? ?
C22 0.0298(4) -0.0126(3) 0.4030(3) 0.0909 Uij ? ?
C23 0.0942(4) -0.0746(3) 0.3124(3) 0.1239 Uij ? ?
C24 -0.1323(4) 0.1992(5) 0.1490(3) 0.1152 Uij ? ?
C25 -0.1090(4) 0.2887(4) 0.1376(3) 0.1037 Uij ? ?
C26 -0.2169(4) 0.1704(5) 0.1392(4) 0.1695 Uij ? ?
C27 0.0529(3) 0.2982(3) 0.7698(2) 0.0390 Uij ? ?
C28 -0.0228(3) 0.3344(3) 0.7333(2) 0.0481 Uij ? ?
C29 -0.0527(3) 0.3268(3) 0.6614(3) 0.0648 Uij ? ?
C30 -0.0058(4) 0.2813(4) 0.6249(2) 0.0732 Uij ? ?
C31 0.0691(3) 0.2441(3) 0.6587(3) 0.0675 Uij ? ?
C32 0.0969(3) 0.2520(3) 0.7292(2) 0.0538 Uij ? ?
C33 0.1339(2) 0.2237(3) 0.8910(2) 0.0415 Uij ? ?
C34 0.1077(3) 0.1405(3) 0.8652(2) 0.0541 Uij ? ?
C35 0.1388(3) 0.0639(3) 0.8981(3) 0.0690 Uij ? ?
C36 0.1998(4) 0.0666(4) 0.9588(3) 0.0758 Uij ? ?
C37 0.2279(3) 0.1465(4) 0.9875(2) 0.0668 Uij ? ?
C38 0.1955(3) 0.2228(3) 0.9535(2) 0.0512 Uij ? ?
C39 0.1615(3) 0.3923(3) 0.8649(2) 0.0447 Uij ? ?
C40 0.2013(3) 0.4185(3) 0.8136(2) 0.0541 Uij ? ?
C41 0.2643(3) 0.4831(4) 0.8246(3) 0.0747 Uij ? ?
C42 0.2890(3) 0.5234(4) 0.8871(4) 0.0882 Uij ? ?
C43 0.2517(3) 0.4999(4) 0.9393(3) 0.0830 Uij ? ?
C44 0.1896(3) 0.4362(3) 0.9283(3) 0.0611 Uij ? ?
C45 0.0099(2) 0.3387(3) 0.8864(2) 0.0402 Uij ? ?
C46 -0.0459(3) 0.2735(3) 0.8963(2) 0.0518 Uij ? ?
C47 -0.1165(3) 0.2908(4) 0.9214(3) 0.0677 Uij ? ?
C48 -0.1333(3) 0.3745(4) 0.9388(3) 0.0745 Uij ? ?
C49 -0.0802(3) 0.4405(3) 0.9295(3) 0.0719 Uij ? ?
C50 -0.0107(3) 0.4226(3) 0.9040(2) 0.0561 Uij ? ?
C51 0.005(2) 0.5363(8) 0.4770(9) 0.1200 Uij ? ?
B1 0.0906(3) 0.3138(3) 0.8534(2) 0.0403 Uij ? ?
H1 0.0584 0.2455 0.2458 0.0655 Uij ? ?
H2 0.0337 0.4615 0.2810 0.1103 Uij ? ?
H3 -0.0495 0.4214 0.2366 0.1103 Uij ? ?
H4 -0.0524 0.4843 0.2969 0.1103 Uij ? ?
H5 -0.1981 0.3444 0.3504 0.0910 Uij ? ?
H6 -0.1811 0.3703 0.2798 0.0910 Uij ? ?
H7 -0.1963 0.2733 0.2953 0.0910 Uij ? ?
H8 -0.1293 0.2302 0.4546 0.0781 Uij ? ?
H9 -0.1293 0.1588 0.3994 0.0781 Uij ? ?
H10 -0.0574 0.1613 0.4668 0.0781 Uij ? ?
H11 0.0788 0.1821 0.4971 0.0856 Uij ? ?
H12 0.1498 0.1966 0.4587 0.0856 Uij ? ?
H13 0.1331 0.2663 0.5101 0.0856 Uij ? ?
H14 0.1930 0.3459 0.4158 0.1096 Uij ? ?
H15 0.1657 0.3711 0.3381 0.1096 Uij ? ?
H16 0.1505 0.4355 0.3939 0.1096 Uij ? ?
H17 0.1429 0.3503 0.1300 0.1075 Uij ? ?
H18 0.1193 0.3091 0.0567 0.1075 Uij ? ?
H19 0.0504 0.3211 0.0977 0.1075 Uij ? ?
H20 0.2610 0.2556 0.2791 0.0957 Uij ? ?
H21 0.3151 0.2507 0.2251 0.0957 Uij ? ?
H22 0.2437 0.3198 0.2170 0.0957 Uij ? ?
H23 0.2572 -0.0047 0.2408 0.0769 Uij ? ?
H24 0.3228 0.0684 0.2400 0.0769 Uij ? ?
H25 0.2672 0.0721 0.2929 0.0769 Uij ? ?
H26 0.0619 -0.0388 0.1267 0.0751 Uij ? ?
H27 0.1290 -0.0365 0.0834 0.0751 Uij ? ?
H28 0.1560 -0.0594 0.1615 0.0751 Uij ? ?
H29 -0.0016 0.1833 0.0236 0.0911 Uij ? ?
H30 0.0380 0.0962 0.0074 0.0911 Uij ? ?
H31 -0.0261 0.0965 0.0535 0.0911 Uij ? ?
H32 -0.0107 0.0006 0.2990 0.0615 Uij ? ?
H33 -0.0024 0.0349 0.4134 0.1080 Uij ? ?
H34 0.0006 -0.0656 0.4052 0.1080 Uij ? ?
H35 0.0834 -0.0140 0.4355 0.1080 Uij ? ?
H36 0.0658 -0.1283 0.3138 0.1542 Uij ? ?
H37 0.1025 -0.0652 0.2677 0.1542 Uij ? ?
H38 0.1482 -0.0767 0.3452 0.1542 Uij ? ?
H39 -0.1191 0.1721 0.1101 0.1392 Uij ? ?
H40 -0.0503 0.2909 0.1383 0.1266 Uij ? ?
H41 -0.1414 0.3083 0.0941 0.1266 Uij ? ?
H42 -0.1194 0.3249 0.1732 0.1266 Uij ? ?
H43 -0.2394 0.1926 0.1759 0.2109 Uij ? ?
H44 -0.2499 0.1909 0.0965 0.2109 Uij ? ?
H45 -0.2181 0.1085 0.1403 0.2109 Uij ? ?
H46 -0.0557 0.3659 0.7582 0.0562 Uij ? ?
H47 -0.1050 0.3528 0.6385 0.0773 Uij ? ?
H48 -0.0253 0.2759 0.5760 0.0873 Uij ? ?
H49 0.1020 0.2126 0.6337 0.0808 Uij ? ?
H50 0.1487 0.2247 0.7517 0.0632 Uij ? ?
H51 0.0662 0.1371 0.8225 0.0637 Uij ? ?
H52 0.1173 0.0097 0.8782 0.0830 Uij ? ?
H53 0.2224 0.0138 0.9807 0.0894 Uij ? ?
H54 0.2691 0.1495 1.0301 0.0789 Uij ? ?
H55 0.2159 0.2773 0.9737 0.0617 Uij ? ?
H56 0.1848 0.3912 0.7695 0.0647 Uij ? ?
H57 0.2900 0.4986 0.7883 0.0895 Uij ? ?
H58 0.3311 0.5671 0.8946 0.1036 Uij ? ?
H59 0.2683 0.5278 0.9831 0.0985 Uij ? ?
H60 0.1645 0.4212 0.9650 0.0708 Uij ? ?
H61 -0.0348 0.2149 0.8855 0.0617 Uij ? ?
H62 -0.1536 0.2449 0.9265 0.0808 Uij ? ?
H63 -0.1802 0.3870 0.9571 0.0894 Uij ? ?
H64 -0.0909 0.4992 0.9407 0.0856 Uij ? ?
H65 0.0254 0.4694 0.8981 0.0669 Uij ? ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 202 0.003 0.002 'International Tables'
H 0 264 0.000 0.000 'International Tables'
Rh 0 8 -1.118 0.919 'International Tables'
S 0 8 0.125 0.123 'International Tables'
B 0 4 0.001 0.001 'International Tables'
Cl 0 4 0.148 0.159 'International Tables'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-3 0 3
1 0 3
-1 -2 2
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Rh2 Rh1 S1 54.29(3) ? ? ? yes
Rh2 Rh1 S2 54.59(3) ? ? ? yes
Rh2 Rh1 C1 129.2(1) ? ? ? yes
Rh2 Rh1 C2 152.0(1) ? ? ? yes
Rh2 Rh1 C3 167.3(1) ? ? ? yes
Rh2 Rh1 C4 141.4(1) ? ? ? yes
Rh2 Rh1 C5 124.4(1) ? ? ? yes
S1 Rh1 S2 79.30(4) ? ? ? yes
S1 Rh1 C1 152.1(1) ? ? ? yes
S1 Rh1 C2 152.2(1) ? ? ? yes
S1 Rh1 C3 114.8(1) ? ? ? yes
S1 Rh1 C4 97.0(1) ? ? ? yes
S1 Rh1 C5 114.2(1) ? ? ? yes
S2 Rh1 C1 126.9(1) ? ? ? yes
S2 Rh1 C2 109.5(1) ? ? ? yes
S2 Rh1 C3 120.4(1) ? ? ? yes
S2 Rh1 C4 154.4(1) ? ? ? yes
S2 Rh1 C5 163.4(1) ? ? ? yes
C1 Rh1 C2 37.3(1) ? ? ? yes
C1 Rh1 C3 63.4(2) ? ? ? yes
C1 Rh1 C4 63.7(2) ? ? ? yes
C1 Rh1 C5 38.3(2) ? ? ? yes
C2 Rh1 C3 37.6(1) ? ? ? yes
C2 Rh1 C4 63.3(2) ? ? ? yes
C2 Rh1 C5 63.3(2) ? ? ? yes
C3 Rh1 C4 38.5(1) ? ? ? yes
C3 Rh1 C5 64.2(2) ? ? ? yes
C4 Rh1 C5 38.3(1) ? ? ? yes
Rh1 Rh2 S1 54.26(3) ? ? ? yes
Rh1 Rh2 S2 54.61(3) ? ? ? yes
Rh1 Rh2 C11 128.3(1) ? ? ? yes
Rh1 Rh2 C12 124.2(1) ? ? ? yes
Rh1 Rh2 C13 142.3(1) ? ? ? yes
Rh1 Rh2 C14 168.6(1) ? ? ? yes
Rh1 Rh2 C15 150.9(1) ? ? ? yes
S1 Rh2 S2 79.29(4) ? ? ? yes
S1 Rh2 C11 152.3(1) ? ? ? yes
S1 Rh2 C12 114.7(1) ? ? ? yes
S1 Rh2 C13 98.2(1) ? ? ? yes
S1 Rh2 C14 116.1(1) ? ? ? yes
S1 Rh2 C15 153.3(1) ? ? ? yes
S2 Rh2 C11 126.4(1) ? ? ? yes
S2 Rh2 C12 162.7(1) ? ? ? yes
S2 Rh2 C13 154.6(1) ? ? ? yes
S2 Rh2 C14 120.6(1) ? ? ? yes
S2 Rh2 C15 109.0(1) ? ? ? yes
C11 Rh2 C12 38.2(2) ? ? ? yes
C11 Rh2 C13 63.5(2) ? ? ? yes
C11 Rh2 C14 63.1(2) ? ? ? yes
C11 Rh2 C15 37.5(2) ? ? ? yes
C12 Rh2 C13 38.3(1) ? ? ? yes
C12 Rh2 C14 63.9(2) ? ? ? yes
C12 Rh2 C15 63.4(2) ? ? ? yes
C13 Rh2 C14 38.1(1) ? ? ? yes
C13 Rh2 C15 63.2(2) ? ? ? yes
C14 Rh2 C15 37.5(1) ? ? ? yes
C51 Cl1 C51 56.4(7) ? ? ? yes
Rh1 S1 Rh2 71.44(3) ? ? ? yes
Rh1 S1 C21 113.7(1) ? ? ? yes
Rh2 S1 C21 112.8(1) ? ? ? yes
Rh1 S2 Rh2 70.80(3) ? ? ? yes
Rh1 S2 C24 114.3(2) ? ? ? yes
Rh2 S2 C24 112.0(2) ? ? ? yes
Rh1 C1 C2 72.2(2) ? ? ? yes
Rh1 C1 C5 69.6(2) ? ? ? yes
Rh1 C1 C6 129.5(3) ? ? ? yes
C2 C1 C5 108.0(4) ? ? ? yes
C2 C1 C6 125.7(5) ? ? ? yes
C5 C1 C6 125.9(5) ? ? ? yes
Rh1 C2 C1 70.5(2) ? ? ? yes
Rh1 C2 C3 69.4(2) ? ? ? yes
Rh1 C2 C7 130.1(3) ? ? ? yes
C1 C2 C3 108.4(4) ? ? ? yes
C1 C2 C7 127.7(4) ? ? ? yes
C3 C2 C7 123.6(4) ? ? ? yes
Rh1 C3 C2 72.9(2) ? ? ? yes
Rh1 C3 C4 70.4(2) ? ? ? yes
Rh1 C3 C8 129.3(3) ? ? ? yes
C2 C3 C4 107.8(4) ? ? ? yes
C2 C3 C8 125.3(4) ? ? ? yes
C4 C3 C8 126.3(4) ? ? ? yes
Rh1 C4 C3 71.1(2) ? ? ? yes
Rh1 C4 C5 70.8(2) ? ? ? yes
Rh1 C4 C9 125.4(3) ? ? ? yes
C3 C4 C5 107.9(4) ? ? ? yes
C3 C4 C9 127.2(4) ? ? ? yes
C5 C4 C9 124.9(4) ? ? ? yes
Rh1 C5 C1 72.2(2) ? ? ? yes
Rh1 C5 C4 70.9(2) ? ? ? yes
Rh1 C5 C10 125.9(3) ? ? ? yes
C1 C5 C4 107.8(4) ? ? ? yes
C1 C5 C10 124.9(5) ? ? ? yes
C4 C5 C10 127.1(5) ? ? ? yes
Rh2 C11 C12 70.1(2) ? ? ? yes
Rh2 C11 C15 72.2(2) ? ? ? yes
Rh2 C11 C16 130.0(3) ? ? ? yes
C12 C11 C15 108.5(4) ? ? ? yes
C12 C11 C16 124.8(5) ? ? ? yes
C15 C11 C16 126.1(5) ? ? ? yes
Rh2 C12 C11 71.7(3) ? ? ? yes
Rh2 C12 C13 71.4(3) ? ? ? yes
Rh2 C12 C17 126.2(3) ? ? ? yes
C11 C12 C13 107.5(4) ? ? ? yes
C11 C12 C17 127.0(5) ? ? ? yes
C13 C12 C17 125.3(5) ? ? ? yes
Rh2 C13 C12 70.2(3) ? ? ? yes
Rh2 C13 C14 71.3(2) ? ? ? yes
Rh2 C13 C18 125.8(3) ? ? ? yes
C12 C13 C14 107.7(4) ? ? ? yes
C12 C13 C18 126.1(5) ? ? ? yes
C14 C13 C18 126.1(4) ? ? ? yes
Rh2 C14 C13 70.6(2) ? ? ? yes
Rh2 C14 C15 72.0(2) ? ? ? yes
Rh2 C14 C19 129.2(3) ? ? ? yes
C13 C14 C15 108.1(4) ? ? ? yes
C13 C14 C19 126.9(4) ? ? ? yes
C15 C14 C19 124.5(4) ? ? ? yes
Rh2 C15 C11 70.3(2) ? ? ? yes
Rh2 C15 C14 70.4(2) ? ? ? yes
Rh2 C15 C20 127.9(3) ? ? ? yes
C11 C15 C14 108.1(4) ? ? ? yes
C11 C15 C20 127.3(5) ? ? ? yes
C14 C15 C20 124.5(5) ? ? ? yes
S1 C21 C22 109.3(3) ? ? ? yes
S1 C21 C23 107.9(3) ? ? ? yes
C22 C21 C23 111.7(4) ? ? ? yes
S2 C24 C25 117.0(5) ? ? ? yes
S2 C24 C26 111.5(5) ? ? ? yes
C25 C24 C26 123.7(6) ? ? ? yes
C28 C27 C32 114.5(4) ? ? ? yes
C28 C27 B1 122.4(4) ? ? ? yes
C32 C27 B1 122.9(4) ? ? ? yes
C27 C28 C29 123.0(4) ? ? ? yes
C28 C29 C30 119.2(5) ? ? ? yes
C29 C30 C31 119.8(5) ? ? ? yes
C30 C31 C32 120.0(5) ? ? ? yes
C27 C32 C31 123.4(4) ? ? ? yes
C34 C33 C38 114.0(4) ? ? ? yes
C34 C33 B1 122.6(4) ? ? ? yes
C38 C33 B1 123.2(4) ? ? ? yes
C33 C34 C35 123.8(4) ? ? ? yes
C34 C35 C36 119.9(5) ? ? ? yes
C35 C36 C37 119.3(5) ? ? ? yes
C36 C37 C38 119.7(5) ? ? ? yes
C33 C38 C37 123.3(5) ? ? ? yes
C40 C39 C44 114.5(4) ? ? ? yes
C40 C39 B1 122.9(4) ? ? ? yes
C44 C39 B1 122.6(4) ? ? ? yes
C39 C40 C41 122.6(5) ? ? ? yes
C40 C41 C42 120.3(5) ? ? ? yes
C41 C42 C43 119.2(6) ? ? ? yes
C42 C43 C44 120.3(5) ? ? ? yes
C39 C44 C43 123.0(5) ? ? ? yes
C46 C45 C50 114.8(4) ? ? ? yes
C46 C45 B1 119.9(4) ? ? ? yes
C50 C45 B1 125.2(4) ? ? ? yes
C45 C46 C47 122.6(5) ? ? ? yes
C46 C47 C48 120.3(5) ? ? ? yes
C47 C48 C49 118.9(5) ? ? ? yes
C48 C49 C50 120.2(5) ? ? ? yes
C45 C50 C49 123.2(5) ? ? ? yes
Cl1 C51 Cl1 123.6(7) ? ? ? yes
Cl1 C51 C51 54(1) ? ? ? yes
Cl1 C51 C51 69(1) ? ? ? yes
C27 B1 C33 110.5(4) ? ? ? yes
C27 B1 C39 108.8(4) ? ? ? yes
C27 B1 C45 107.6(3) ? ? ? yes
C33 B1 C39 110.1(4) ? ? ? yes
C33 B1 C45 107.9(3) ? ? ? yes
C39 B1 C45 112.0(4) ? ? ? yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Rh2 2.7375(5) ? ? yes
Rh1 S1 2.344(1) ? ? yes
Rh1 S2 2.363(1) ? ? yes
Rh1 C1 2.206(4) ? ? yes
Rh1 C2 2.227(4) ? ? yes
Rh1 C3 2.181(4) ? ? yes
Rh1 C4 2.171(4) ? ? yes
Rh1 C5 2.171(4) ? ? yes
Rh2 S1 2.345(1) ? ? yes
Rh2 S2 2.363(1) ? ? yes
Rh2 C11 2.188(4) ? ? yes
Rh2 C12 2.167(4) ? ? yes
Rh2 C13 2.183(4) ? ? yes
Rh2 C14 2.192(4) ? ? yes
Rh2 C15 2.213(4) ? ? yes
Cl1 C51 1.66(2) ? ? yes
Cl1 C51 1.44(2) ? ? yes
S1 C21 1.849(4) ? ? yes
S2 C24 1.837(6) ? ? yes
C1 C2 1.419(5) ? ? yes
C1 C5 1.435(6) ? ? yes
C1 C6 1.497(6) ? ? yes
C2 C3 1.422(5) ? ? yes
C2 C7 1.505(6) ? ? yes
C3 C4 1.436(5) ? ? yes
C3 C8 1.496(5) ? ? yes
C4 C5 1.424(6) ? ? yes
C4 C9 1.491(6) ? ? yes
C5 C10 1.503(6) ? ? yes
C11 C12 1.423(6) ? ? yes
C11 C15 1.413(6) ? ? yes
C11 C16 1.510(6) ? ? yes
C12 C13 1.428(5) ? ? yes
C12 C17 1.501(6) ? ? yes
C13 C14 1.427(5) ? ? yes
C13 C18 1.493(6) ? ? yes
C14 C15 1.417(6) ? ? yes
C14 C19 1.500(6) ? ? yes
C15 C20 1.502(6) ? ? yes
C21 C22 1.502(6) ? ? yes
C21 C23 1.505(6) ? ? yes
C24 C25 1.456(8) ? ? yes
C24 C26 1.413(8) ? ? yes
C27 C28 1.385(5) ? ? yes
C27 C32 1.398(5) ? ? yes
C27 B1 1.647(6) ? ? yes
C28 C29 1.400(6) ? ? yes
C29 C30 1.369(6) ? ? yes
C30 C31 1.365(6) ? ? yes
C31 C32 1.371(6) ? ? yes
C33 C34 1.401(6) ? ? yes
C33 C38 1.394(5) ? ? yes
C33 B1 1.647(6) ? ? yes
C34 C35 1.380(6) ? ? yes
C35 C36 1.365(6) ? ? yes
C36 C37 1.383(7) ? ? yes
C37 C38 1.390(6) ? ? yes
C39 C40 1.398(5) ? ? yes
C39 C44 1.404(6) ? ? yes
C39 B1 1.644(6) ? ? yes
C40 C41 1.405(6) ? ? yes
C41 C42 1.359(7) ? ? yes
C42 C43 1.375(7) ? ? yes
C43 C44 1.385(6) ? ? yes
C45 C46 1.397(5) ? ? yes
C45 C50 1.394(6) ? ? yes
C45 B1 1.652(6) ? ? yes
C46 C47 1.387(5) ? ? yes
C47 C48 1.375(7) ? ? yes
C48 C49 1.373(7) ? ? yes
C49 C50 1.378(6) ? ? yes
C51 C51 1.48(2) ? ? yes
