#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:18:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179809 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/05/7010523.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_7010523
loop_
_publ_author_name
'Farrar, David H.'
'Grachova, Elena V.'
'Lough, Alan'
'Patirana, Charles'
'Poë, Anthony J.'
'Tunik, Sergey P.'
_publ_section_title
;
 Ligand effects on the structures of Rh6(CO)15L clusters
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2015
_journal_paper_doi               10.1039/b010109p
_journal_year                    2001
_chemical_formula_sum            'C17 H6 O16 Rh6 S'
_chemical_formula_weight         1115.74
_chemical_name_common            '7  Rh6(CO)15(Me2SO)'
_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
_cell_angle_alpha                99.080(10)
_cell_angle_beta                 96.830(10)
_cell_angle_gamma                96.270(10)
_cell_formula_units_Z            2
_cell_length_a                   9.400(2)
_cell_length_b                   9.841(2)
_cell_length_c                   14.668(3)
_cell_measurement_reflns_used    53
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10.02
_cell_measurement_theta_min      6.35
_cell_volume                     1319.0(5)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω 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  0.0377
_diffrn_reflns_av_sigmaI/netI    0.1050
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3695
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        'Less than 2'
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.820
_exptl_absorpt_correction_T_max  0.7546
_exptl_absorpt_correction_T_min  0.4804
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   SHELXTL
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.809
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.975
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       0.00039(14)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.810
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         3443
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      0.798
_refine_ls_restrained_S_obs      0.980
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          -0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w==1/[σ²(Fo²)+(0.0367P)²] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0908
_refine_ls_wR_factor_ref         0.0817
_reflns_number_observed          1936
_reflns_number_total             3443
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b010109p.txt
_cod_data_source_block           s9508
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w==1/[\s^2^(Fo^2^)+(0.0367P)^2^] where P==(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w==1/[\s^2^(Fo^2^)+(0.0367P)^2^] where P==(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010523
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh10 Rh 0.47656(12) 0.75563(12) 0.73023(7) 0.0154(3) Uani 1 d . .
Rh20 Rh 0.23454(12) 0.57903(12) 0.64033(7) 0.0170(3) Uani 1 d . .
Rh21 Rh 0.20213(12) 0.81912(12) 0.75375(7) 0.0171(3) Uani 1 d . .
Rh30 Rh 0.41151(12) 0.50460(12) 0.78256(7) 0.0173(3) Uani 1 d . .
Rh31 Rh 0.38024(12) 0.74992(12) 0.89771(7) 0.0168(3) Uani 1 d . .
Rh40 Rh 0.14106(12) 0.56825(12) 0.81105(7) 0.0191(3) Uani 1 d . .
S S 0.5248(4) 0.8870(4) 0.6173(2) 0.0198(8) Uani 1 d . .
C1 C 0.6459(16) 1.0377(15) 0.6651(10) 0.035(4) Uani 1 d . .
H1A H 0.6734(73) 1.0855(50) 0.6149(12) 0.042(18) Uiso 1 calc R .
H1B H 0.7323(42) 1.0120(17) 0.6990(50) 0.042(18) Uiso 1 calc R .
H1C H 0.5992(35) 1.0994(42) 0.7080(47) 0.042(18) Uiso 1 calc R .
C2 C 0.6294(16) 0.7998(16) 0.5404(10) 0.034(4) Uani 1 d . .
H2A H 0.6546(79) 0.8580(40) 0.4948(38) 0.042(18) Uiso 1 calc R .
H2B H 0.5737(38) 0.7120(44) 0.5078(45) 0.042(18) Uiso 1 calc R .
H2C H 0.7180(47) 0.7809(81) 0.5759(12) 0.042(18) Uiso 1 calc R .
O1 O 0.4019(10) 0.9275(10) 0.5622(7) 0.033(3) Uani 1 d . .
C10 C 0.4685(14) 0.5551(13) 0.6475(8) 0.013(3) Uani 1 d U .
O10 O 0.5355(10) 0.5036(10) 0.5965(6) 0.024(2) Uani 1 d U .
C11 C 0.4140(14) 0.9289(15) 0.8167(9) 0.020(3) Uani 1 d U .
O11 O 0.4599(10) 1.0419(10) 0.8414(6) 0.026(3) Uani 1 d U .
C20 C 0.0390(16) 0.6435(14) 0.6910(10) 0.025(3) Uani 1 d U .
O20 O -0.0792(10) 0.6349(10) 0.6546(7) 0.028(2) Uani 1 d U .
C30 C 0.3234(14) 0.5344(15) 0.9143(9) 0.021(3) Uani 1 d U .
O30 O 0.3305(10) 0.4814(10) 0.9779(7) 0.029(2) Uani 1 d U .
C40 C 0.6725(16) 0.7764(14) 0.7800(9) 0.021(3) Uani 1 d U .
O40 O 0.7894(11) 0.7894(12) 0.8103(7) 0.038(3) Uani 1 d U .
C50 C 0.2204(16) 0.6424(15) 0.5235(10) 0.026(4) Uani 1 d U .
O50 O 0.2110(11) 0.6734(11) 0.4523(7) 0.039(3) Uani 1 d U .
C51 C 0.1499(15) 0.9125(14) 0.6526(10) 0.024(3) Uani 1 d U .
O51 O 0.1036(11) 0.9643(11) 0.5956(7) 0.038(3) Uani 1 d U .
C60 C 0.1530(15) 0.3927(17) 0.5832(9) 0.022(4) Uani 1 d . .
O60 O 0.1018(11) 0.2823(11) 0.5530(7) 0.035(3) Uani 1 d . .
C61 C 0.1023(15) 0.9305(14) 0.8354(9) 0.022(3) Uani 1 d U .
O61 O 0.0455(11) 1.0031(11) 0.8851(7) 0.043(3) Uani 1 d U .
C70 C 0.6031(16) 0.4685(15) 0.8160(10) 0.026(4) Uani 1 d U .
O70 O 0.7168(12) 0.4415(12) 0.8280(7) 0.041(3) Uani 1 d U .
C71 C 0.5687(15) 0.7873(13) 0.9674(8) 0.014(3) Uani 1 d U .
O71 O 0.6810(10) 0.8120(10) 1.0090(6) 0.028(2) Uani 1 d U .
C80 C 0.3461(16) 0.3150(16) 0.7470(10) 0.030(4) Uani 1 d U .
O80 O 0.3047(14) 0.1999(12) 0.7227(8) 0.057(3) Uani 1 d U .
C81 C 0.2931(14) 0.8348(14) 0.9989(9) 0.021(3) Uani 1 d U .
O81 O 0.2375(11) 0.8813(11) 1.0592(7) 0.036(3) Uani 1 d U .
C90 C 0.0404(16) 0.3852(17) 0.7826(10) 0.029(4) Uani 1 d U .
O90 O -0.0189(12) 0.2755(11) 0.7680(8) 0.048(3) Uani 1 d U .
C91 C 0.0263(14) 0.6226(13) 0.9030(8) 0.015(3) Uani 1 d U .
O91 O -0.0394(11) 0.6581(11) 0.9637(7) 0.039(3) Uani 1 d 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 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'
O O 0.0106 0.0060 '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'
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
C40 Rh10 C10 97.0(5) . . ?
C40 Rh10 C11 98.7(5) . . ?
C10 Rh10 C11 161.2(5) . . ?
C40 Rh10 S 92.0(4) . . ?
C10 Rh10 S 98.0(3) . . ?
C11 Rh10 S 91.9(4) . . ?
C40 Rh10 Rh31 94.3(4) . . ?
C10 Rh10 Rh31 113.8(3) . . ?
C11 Rh10 Rh31 54.6(4) . . ?
S Rh10 Rh31 146.44(10) . . ?
C40 Rh10 Rh30 94.7(4) . . ?
C10 Rh10 Rh30 52.8(3) . . ?
C11 Rh10 Rh30 115.3(4) . . ?
S Rh10 Rh30 150.61(10) . . ?
Rh31 Rh10 Rh30 61.42(4) . . ?
C40 Rh10 Rh20 147.7(4) . . ?
C10 Rh10 Rh20 52.2(3) . . ?
C11 Rh10 Rh20 110.1(4) . . ?
S Rh10 Rh20 101.27(10) . . ?
Rh31 Rh10 Rh20 90.63(5) . . ?
Rh30 Rh10 Rh20 60.17(4) . . ?
C40 Rh10 Rh21 147.4(4) . . ?
C10 Rh10 Rh21 111.3(3) . . ?
C11 Rh10 Rh21 50.9(4) . . ?
S Rh10 Rh21 99.30(10) . . ?
Rh31 Rh10 Rh21 60.21(4) . . ?
Rh30 Rh10 Rh21 90.27(5) . . ?
Rh20 Rh10 Rh21 59.28(4) . . ?
C50 Rh20 C60 92.5(6) . . ?
C50 Rh20 C20 100.6(6) . . ?
C60 Rh20 C20 97.0(5) . . ?
C50 Rh20 C10 95.4(5) . . ?
C60 Rh20 C10 99.3(5) . . ?
C20 Rh20 C10 156.7(5) . . ?
C50 Rh20 Rh21 99.3(4) . . ?
C60 Rh20 Rh21 147.5(4) . . ?
C20 Rh20 Rh21 51.2(4) . . ?
C10 Rh20 Rh21 109.5(3) . . ?
C50 Rh20 Rh30 147.0(4) . . ?
C60 Rh20 Rh30 95.9(4) . . ?
C20 Rh20 Rh30 109.9(4) . . ?
C10 Rh20 Rh30 51.8(3) . . ?
Rh21 Rh20 Rh30 90.45(5) . . ?
C50 Rh20 Rh10 98.5(4) . . ?
C60 Rh20 Rh10 147.3(4) . . ?
C20 Rh20 Rh10 110.9(4) . . ?
C10 Rh20 Rh10 49.3(3) . . ?
Rh21 Rh20 Rh10 60.45(4) . . ?
Rh30 Rh20 Rh10 59.30(4) . . ?
C50 Rh20 Rh40 150.6(4) . . ?
C60 Rh20 Rh40 96.1(4) . . ?
C20 Rh20 Rh40 50.5(4) . . ?
C10 Rh20 Rh40 110.8(3) . . ?
Rh21 Rh20 Rh40 60.13(4) . . ?
Rh30 Rh20 Rh40 59.73(4) . . ?
Rh10 Rh20 Rh40 89.19(5) . . ?
C51 Rh21 C61 92.7(6) . . ?
C51 Rh21 C11 103.5(6) . . ?
C61 Rh21 C11 93.5(5) . . ?
C51 Rh21 C20 90.1(6) . . ?
C61 Rh21 C20 103.2(6) . . ?
C11 Rh21 C20 158.0(5) . . ?
C51 Rh21 Rh20 94.0(4) . . ?
C61 Rh21 Rh20 153.5(4) . . ?
C11 Rh21 Rh20 109.7(3) . . ?
C20 Rh21 Rh20 51.2(4) . . ?
C51 Rh21 Rh31 156.8(4) . . ?
C61 Rh21 Rh31 93.3(4) . . ?
C11 Rh21 Rh31 53.8(4) . . ?
C20 Rh21 Rh31 110.3(4) . . ?
Rh20 Rh21 Rh31 90.58(5) . . ?
C51 Rh21 Rh40 140.6(4) . . ?
C61 Rh21 Rh40 99.3(4) . . ?
C11 Rh21 Rh40 113.0(4) . . ?
C20 Rh21 Rh40 50.7(4) . . ?
Rh20 Rh21 Rh40 60.46(4) . . ?
Rh31 Rh21 Rh40 60.01(4) . . ?
C51 Rh21 Rh10 104.1(4) . . ?
C61 Rh21 Rh10 141.7(4) . . ?
C11 Rh21 Rh10 49.5(3) . . ?
C20 Rh21 Rh10 110.8(4) . . ?
Rh20 Rh21 Rh10 60.28(4) . . ?
Rh31 Rh21 Rh10 59.11(4) . . ?
Rh40 Rh21 Rh10 89.28(5) . . ?
C80 Rh30 C70 91.5(6) . . ?
C80 Rh30 C30 97.2(6) . . ?
C70 Rh30 C30 104.2(6) . . ?
C80 Rh30 C10 100.2(5) . . ?
C70 Rh30 C10 90.2(5) . . ?
C30 Rh30 C10 157.1(5) . . ?
C80 Rh30 Rh10 148.2(4) . . ?
C70 Rh30 Rh10 98.0(4) . . ?
C30 Rh30 Rh10 109.6(4) . . ?
C10 Rh30 Rh10 49.8(3) . . ?
C80 Rh30 Rh40 92.8(5) . . ?
C70 Rh30 Rh40 156.7(4) . . ?
C30 Rh30 Rh40 52.5(4) . . ?
C10 Rh30 Rh40 111.5(3) . . ?
Rh10 Rh30 Rh40 90.25(5) . . ?
C80 Rh30 Rh20 94.0(4) . . ?
C70 Rh30 Rh20 142.1(4) . . ?
C30 Rh30 Rh20 112.2(4) . . ?
C10 Rh30 Rh20 51.9(3) . . ?
Rh10 Rh30 Rh20 60.53(4) . . ?
Rh40 Rh30 Rh20 60.34(4) . . ?
C80 Rh30 Rh31 145.7(5) . . ?
C70 Rh30 Rh31 106.3(4) . . ?
C30 Rh30 Rh31 50.5(4) . . ?
C10 Rh30 Rh31 108.7(3) . . ?
Rh10 Rh30 Rh31 59.20(4) . . ?
Rh40 Rh30 Rh31 59.74(4) . . ?
Rh20 Rh30 Rh31 89.58(5) . . ?
C81 Rh31 C71 93.0(5) . . ?
C81 Rh31 C30 97.3(5) . . ?
C71 Rh31 C30 99.7(5) . . ?
C81 Rh31 C11 101.2(5) . . ?
C71 Rh31 C11 94.8(5) . . ?
C30 Rh31 C11 155.7(5) . . ?
C81 Rh31 Rh10 150.4(4) . . ?
C71 Rh31 Rh10 94.4(4) . . ?
C30 Rh31 Rh10 109.6(3) . . ?
C11 Rh31 Rh10 49.6(3) . . ?
C81 Rh31 Rh21 98.4(4) . . ?
C71 Rh31 Rh21 144.7(4) . . ?
C30 Rh31 Rh21 111.7(4) . . ?
C11 Rh31 Rh21 50.2(3) . . ?
Rh10 Rh31 Rh21 60.68(4) . . ?
C81 Rh31 Rh40 96.9(4) . . ?
C71 Rh31 Rh40 151.2(4) . . ?
C30 Rh31 Rh40 52.3(4) . . ?
C11 Rh31 Rh40 109.5(3) . . ?
Rh10 Rh31 Rh40 90.19(5) . . ?
Rh21 Rh31 Rh40 60.01(4) . . ?
C81 Rh31 Rh30 146.9(4) . . ?
C71 Rh31 Rh30 99.0(4) . . ?
C30 Rh31 Rh30 50.3(3) . . ?
C11 Rh31 Rh30 108.3(3) . . ?
Rh10 Rh31 Rh30 59.38(4) . . ?
Rh21 Rh31 Rh30 89.39(5) . . ?
Rh40 Rh31 Rh30 59.46(4) . . ?
C91 Rh40 C90 92.3(6) . . ?
C91 Rh40 C20 102.5(5) . . ?
C90 Rh40 C20 97.0(6) . . ?
C91 Rh40 C30 93.6(5) . . ?
C90 Rh40 C30 99.3(6) . . ?
C20 Rh40 C30 156.6(5) . . ?
C91 Rh40 Rh30 143.8(4) . . ?
C90 Rh40 Rh30 98.2(4) . . ?
C20 Rh40 Rh30 110.4(4) . . ?
C30 Rh40 Rh30 50.7(3) . . ?
C91 Rh40 Rh21 99.3(4) . . ?
C90 Rh40 Rh21 147.5(4) . . ?
C20 Rh40 Rh21 50.9(4) . . ?
C30 Rh40 Rh21 110.1(4) . . ?
Rh30 Rh40 Rh21 90.15(5) . . ?
C91 Rh40 Rh31 94.0(4) . . ?
C90 Rh40 Rh31 149.6(5) . . ?
C20 Rh40 Rh31 110.5(4) . . ?
C30 Rh40 Rh31 50.7(4) . . ?
Rh30 Rh40 Rh31 60.80(4) . . ?
Rh21 Rh40 Rh31 59.99(4) . . ?
C91 Rh40 Rh20 152.2(4) . . ?
C90 Rh40 Rh20 98.0(4) . . ?
C20 Rh40 Rh20 50.8(4) . . ?
C30 Rh40 Rh20 110.0(3) . . ?
Rh30 Rh40 Rh20 59.93(4) . . ?
Rh21 Rh40 Rh20 59.41(4) . . ?
Rh31 Rh40 Rh20 89.95(5) . . ?
O1 S C1 108.2(7) . . ?
O1 S C2 108.5(7) . . ?
C1 S C2 100.5(7) . . ?
O1 S Rh10 117.5(4) . . ?
C1 S Rh10 111.2(5) . . ?
C2 S Rh10 109.6(5) . . ?
O10 C10 Rh10 136.4(10) . . ?
O10 C10 Rh30 131.3(10) . . ?
Rh10 C10 Rh30 77.4(4) . . ?
O10 C10 Rh20 133.5(10) . . ?
Rh10 C10 Rh20 78.5(4) . . ?
Rh30 C10 Rh20 76.3(4) . . ?
O11 C11 Rh10 135.6(10) . . ?
O11 C11 Rh21 134.9(11) . . ?
Rh10 C11 Rh21 79.6(5) . . ?
O11 C11 Rh31 130.9(10) . . ?
Rh10 C11 Rh31 75.8(5) . . ?
Rh21 C11 Rh31 76.0(5) . . ?
O20 C20 Rh40 134.4(11) . . ?
O20 C20 Rh20 132.0(11) . . ?
Rh40 C20 Rh20 78.7(5) . . ?
O20 C20 Rh21 133.3(11) . . ?
Rh40 C20 Rh21 78.4(5) . . ?
Rh20 C20 Rh21 77.6(5) . . ?
O30 C30 Rh30 134.4(11) . . ?
O30 C30 Rh31 132.2(11) . . ?
Rh30 C30 Rh31 79.2(5) . . ?
O30 C30 Rh40 134.1(11) . . ?
Rh30 C30 Rh40 76.8(5) . . ?
Rh31 C30 Rh40 77.0(5) . . ?
O40 C40 Rh10 179.5(10) . . ?
O50 C50 Rh20 176.6(13) . . ?
O51 C51 Rh21 172.0(13) . . ?
O60 C60 Rh20 176.8(11) . . ?
O61 C61 Rh21 177.2(12) . . ?
O70 C70 Rh30 173.9(13) . . ?
O71 C71 Rh31 178.8(12) . . ?
O80 C80 Rh30 178.0(13) . . ?
O81 C81 Rh31 177.5(12) . . ?
O90 C90 Rh40 178.2(13) . . ?
O91 C91 Rh40 176.7(11) . . ?
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
Rh10 C40 1.875(15) . ?
Rh10 C10 2.136(13) . ?
Rh10 C11 2.140(13) . ?
Rh10 S 2.312(3) . ?
Rh10 Rh31 2.724(2) . ?
Rh10 Rh30 2.729(2) . ?
Rh10 Rh20 2.763(2) . ?
Rh10 Rh21 2.768(2) . ?
Rh20 C50 1.91(2) . ?
Rh20 C60 1.93(2) . ?
Rh20 C20 2.183(14) . ?
Rh20 C10 2.229(13) . ?
Rh20 Rh21 2.735(2) . ?
Rh20 Rh30 2.753(2) . ?
Rh20 Rh40 2.764(2) . ?
Rh21 C51 1.91(2) . ?
Rh21 C61 1.896(14) . ?
Rh21 C11 2.183(14) . ?
Rh21 C20 2.184(14) . ?
Rh21 Rh31 2.755(2) . ?
Rh21 Rh40 2.755(2) . ?
Rh30 C80 1.87(2) . ?
Rh30 C70 1.90(2) . ?
Rh30 C30 2.182(13) . ?
Rh30 C10 2.228(12) . ?
Rh30 Rh40 2.747(2) . ?
Rh30 Rh31 2.785(2) . ?
Rh31 C81 1.902(13) . ?
Rh31 C71 1.904(14) . ?
Rh31 C30 2.188(15) . ?
Rh31 C11 2.290(15) . ?
Rh31 Rh40 2.755(2) . ?
Rh40 C91 1.875(12) . ?
Rh40 C90 1.90(2) . ?
Rh40 C20 2.176(15) . ?
Rh40 C30 2.238(14) . ?
S O1 1.459(10) . ?
S C1 1.760(14) . ?
S C2 1.766(13) . ?
C10 O10 1.129(14) . ?
C11 O11 1.133(15) . ?
C20 O20 1.16(2) . ?
C30 O30 1.14(2) . ?
C40 O40 1.12(2) . ?
C50 O50 1.13(2) . ?
C51 O51 1.12(2) . ?
C60 O60 1.14(2) . ?
C61 O61 1.16(2) . ?
C70 O70 1.13(2) . ?
C71 O71 1.136(15) . ?
C80 O80 1.14(2) . ?
C81 O81 1.140(15) . ?
C90 O90 1.14(2) . ?
C91 O91 1.173(14) . ?
