#------------------------------------------------------------------------------
#$Date: 2019-11-23 20:15:19 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234804 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/65/4036516.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_4036516
loop_
_publ_author_name
'Zhao, Lili'
'Zhang, Hongyang'
'Wang, Yuanhua'
_publ_section_title
;
 Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by
 Coprecipitation with Sulfoxides.
;
_journal_issue                   1
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              129
_journal_page_last               136
_journal_paper_doi               10.1021/acs.joc.5b02400
_journal_volume                  81
_journal_year                    2016
_chemical_formula_moiety         'C24 H27.36 O6 Rh S'
_chemical_formula_sum            'C24 H30 O6 Rh S'
_chemical_formula_weight         549.45
_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'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2015-09-16
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 92.2033(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9681(2)
_cell_length_b                   10.30952(19)
_cell_length_c                   17.1108(3)
_cell_measurement_reflns_used    6572
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.3130
_cell_measurement_theta_min      3.6730
_cell_volume                     2462.21(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.867
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -11.00   83.00   1.0000   42.5400
omega____ theta____ kappa____ phi______ frames
    -       15.5694   77.0000  -60.0000 94

#__ type_ start__ end____ width___ exp.time_
  2 omega  -11.00   83.00   1.0000   42.5400
omega____ theta____ kappa____ phi______ frames
    -       15.5694   77.0000   60.0000 94

#__ type_ start__ end____ width___ exp.time_
  3 omega  -11.00   83.00   1.0000   42.5400
omega____ theta____ kappa____ phi______ frames
    -       15.5694   77.0000 -180.0000 94

#__ type_ start__ end____ width___ exp.time_
  4 omega    8.00   44.00   1.0000   42.5400
omega____ theta____ kappa____ phi______ frames
    -      -16.5069   77.0000 -180.0000 36
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0470562000
_diffrn_orient_matrix_UB_12      0.0062352000
_diffrn_orient_matrix_UB_13      0.0137183000
_diffrn_orient_matrix_UB_21      0.0001716000
_diffrn_orient_matrix_UB_22      0.0669128000
_diffrn_orient_matrix_UB_23      -0.0096337000
_diffrn_orient_matrix_UB_31      -0.0191561000
_diffrn_orient_matrix_UB_32      -0.0147392000
_diffrn_orient_matrix_UB_33      -0.0379556000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.867
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16528
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.867
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.231
_diffrn_reflns_theta_min         3.383
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dull reddish red'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_description
;
;
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.983
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5792
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0330P)²+0.2090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0935
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4173
_reflns_number_total             5792
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jo5b02400_si_002.cif
_cod_data_source_block           201506-qy-1
_cod_original_cell_volume        2462.22(7)
_cod_database_code               4036516
_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.
;
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(H00O)=Sof(H00Q)=Sof(H00R)=Sof(S0)=1-FVAR(1)
 Sof(S002)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C00G(H00A,H00B), C00O(H00M,H00N)
3.b Me refined with riding coordinates:
 C00Q(H00O,H00Q,H00R)
3.c Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00H(H00H), C00J(H00J), C00L(H00L), C00P(H00P), C00R(H00S),
 C00S(H00T)
3.d Idealised Me refined as rotating group:
 C00M(H00C,H00D,H00F), C00N(H00G,H00I,H00K), C00T(H00U,H00V,H00W), C00U(H00X,
 H00Y,H), C00W(H00,HA,HB)
;
_shelx_shelxl_version_number     2014/7
_olex2_date_sample_data_collection 2015-06-09
_olex2_submission_special_instructions 'No special instructions were received'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.97092(2) 0.43131(2) 0.55089(2) 0.02614(9) Uani 1 1 d . . . .
S002 S 0.91223(7) 0.27879(12) 0.65224(7) 0.0339(4) Uani 0.880(4) 1 d . P A 1
O003 O 0.85302(16) 0.5464(2) 0.55338(14) 0.0333(6) Uani 1 1 d . . . .
O004 O 0.90727(16) 0.6760(2) 0.45911(13) 0.0324(5) Uani 1 1 d . . . .
O005 O 0.96320(16) 0.4464(2) 0.37009(13) 0.0337(6) Uani 1 1 d . . . .
O006 O 0.90875(16) 0.3186(2) 0.46573(13) 0.0336(5) Uani 1 1 d . . . .
O007 O 0.9292(2) 0.3074(3) 0.73541(18) 0.0735(9) Uani 1 1 d . . . .
O008 O 0.5142(2) 0.0952(3) 0.5908(2) 0.0665(9) Uani 1 1 d . . . .
C009 C 0.9183(2) 0.3489(3) 0.3946(2) 0.0329(8) Uani 1 1 d . . . .
C00A C 0.8458(2) 0.6434(3) 0.50845(19) 0.0300(8) Uani 1 1 d . . . .
C00B C 0.8725(3) 0.2594(3) 0.3325(2) 0.0406(9) Uani 1 1 d . . . .
C00C C 0.7576(3) 0.7296(4) 0.5142(2) 0.0403(9) Uani 1 1 d . . . .
C00D C 0.7897(3) 0.2229(4) 0.6376(2) 0.0463(10) Uani 1 1 d . . . .
C00E C 0.7442(3) 0.5324(4) 0.3561(2) 0.0407(9) Uani 1 1 d . . . .
H00E H 0.8036 0.5699 0.3480 0.049 Uiso 1 1 calc R . . .
C00F C 0.7246(3) 0.4099(4) 0.3240(2) 0.0447(10) Uani 1 1 d . . . .
C00G C 0.7044(3) 0.7312(4) 0.4332(2) 0.0471(10) Uani 1 1 d . . . .
H00A H 0.6458 0.7808 0.4376 0.056 Uiso 1 1 calc R . . .
H00B H 0.7441 0.7766 0.3968 0.056 Uiso 1 1 calc R . . .
C00H C 0.7355(3) 0.2707(4) 0.5775(3) 0.0519(11) Uani 1 1 d . . . .
H00H H 0.7603 0.3334 0.5448 0.062 Uiso 1 1 calc R . . .
C00I C 0.6790(3) 0.5999(4) 0.3992(2) 0.0444(10) Uani 1 1 d . . . .
C00J C 0.6431(3) 0.2260(4) 0.5647(3) 0.0554(11) Uani 1 1 d . . . .
H00J H 0.6056 0.2610 0.5238 0.067 Uiso 1 1 calc R . . .
C00K C 0.6050(3) 0.1313(4) 0.6106(3) 0.0461(10) Uani 1 1 d . . . .
C00L C 0.5893(3) 0.5448(5) 0.4090(3) 0.0599(13) Uani 1 1 d . . . .
H00L H 0.5440 0.5875 0.4380 0.072 Uiso 1 1 calc R . . .
C00M C 0.7916(3) 0.8675(4) 0.5340(3) 0.0609(12) Uani 1 1 d . . . .
H00C H 0.8230 0.8680 0.5849 0.091 Uiso 1 1 calc GR . . .
H00D H 0.7375 0.9249 0.5337 0.091 Uiso 1 1 calc GR . . .
H00F H 0.8357 0.8958 0.4959 0.091 Uiso 1 1 calc GR . . .
C00N C 0.8219(3) 0.1459(4) 0.3705(2) 0.0593(12) Uani 1 1 d . . . .
H00G H 0.8659 0.1025 0.4062 0.089 Uiso 1 1 calc GR . . .
H00I H 0.7997 0.0861 0.3308 0.089 Uiso 1 1 calc GR . . .
H00K H 0.7684 0.1776 0.3984 0.089 Uiso 1 1 calc GR . . .
C00O C 0.8002(3) 0.3398(4) 0.2808(2) 0.0463(10) Uani 1 1 d . . . .
H00M H 0.8358 0.4029 0.2516 0.056 Uiso 1 1 calc R . . .
H00N H 0.7688 0.2818 0.2433 0.056 Uiso 1 1 calc R . . .
C00P C 0.6344(3) 0.3588(4) 0.3331(3) 0.0580(12) Uani 1 1 d . . . .
H00P H 0.6185 0.2791 0.3107 0.070 Uiso 1 1 calc R . . .
C00Q C 0.9719(3) 0.1269(4) 0.6313(3) 0.0596(13) Uani 1 1 d . . . .
H00O H 0.9331 0.0618 0.6054 0.089 Uiso 0.120(4) 1 calc R P A 2
H00Q H 0.9981 0.1834 0.5930 0.089 Uiso 0.120(4) 1 calc R P A 2
H00R H 1.0231 0.0860 0.6610 0.089 Uiso 0.120(4) 1 calc R P A 2
C00R C 0.6591(3) 0.0839(4) 0.6733(3) 0.0579(12) Uani 1 1 d . . . .
H00S H 0.6336 0.0224 0.7064 0.069 Uiso 1 1 calc R . . .
C00S C 0.5680(3) 0.4247(5) 0.3749(3) 0.0682(14) Uani 1 1 d . . . .
H00T H 0.5076 0.3886 0.3807 0.082 Uiso 1 1 calc R . . .
C00T C 0.6923(3) 0.6798(4) 0.5771(3) 0.0608(13) Uani 1 1 d . . . .
H00U H 0.6756 0.5911 0.5664 0.091 Uiso 1 1 calc GR . . .
H00V H 0.6352 0.7315 0.5772 0.091 Uiso 1 1 calc GR . . .
H00W H 0.7251 0.6855 0.6273 0.091 Uiso 1 1 calc GR . . .
C00U C 0.9542(3) 0.2091(4) 0.2824(3) 0.0628(13) Uani 1 1 d . . . .
H00X H 0.9795 0.2795 0.2529 0.094 Uiso 1 1 calc GR . . .
H00Y H 0.9299 0.1433 0.2473 0.094 Uiso 1 1 calc GR . . .
H H 1.0041 0.1732 0.3160 0.094 Uiso 1 1 calc GR . . .
C00V C 0.7526(3) 0.1291(5) 0.6866(3) 0.0566(13) Uani 1 1 d . . . .
C00W C 0.4770(3) -0.0192(4) 0.6249(3) 0.0769(16) Uani 1 1 d . . . .
H00 H 0.4154 -0.0387 0.6010 0.115 Uiso 1 1 calc GR . . .
HA H 0.4707 -0.0058 0.6800 0.115 Uiso 1 1 calc GR . . .
HB H 0.5199 -0.0903 0.6168 0.115 Uiso 1 1 calc GR . . .
S0 S 0.9037(6) 0.2143(9) 0.6920(5) 0.042(3) Uani 0.120(4) 1 d . P A 2
H00Z H 0.780(3) 0.102(4) 0.724(2) 0.048(13) Uiso 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 0.0016 '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'
Rh Rh -1.1178 0.9187 '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'
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
Rh01 Rh01 S002 177.05(3) 3_766 .
O003 Rh01 Rh01 88.16(6) . 3_766
O003 Rh01 S002 93.74(7) . .
O003 Rh01 O004 175.42(9) . 3_766
O003 Rh01 O005 88.31(9) . 3_766
O003 Rh01 O006 91.41(9) . .
O004 Rh01 Rh01 87.28(6) 3_766 3_766
O004 Rh01 S002 90.80(6) 3_766 .
O005 Rh01 Rh01 87.70(6) 3_766 3_766
O005 Rh01 S002 94.60(7) 3_766 .
O005 Rh01 O004 91.95(9) 3_766 3_766
O006 Rh01 Rh01 87.96(6) . 3_766
O006 Rh01 S002 89.74(7) . .
O006 Rh01 O004 87.98(9) . 3_766
O006 Rh01 O005 175.66(9) . 3_766
O007 S002 Rh01 120.14(15) . .
O007 S002 C00D 108.32(19) . .
O007 S002 C00Q 107.9(2) . .
C00D S002 Rh01 115.88(15) . .
C00D S002 C00Q 97.9(2) . .
C00Q S002 Rh01 103.88(14) . .
C00A O003 Rh01 119.7(2) . .
C00A O004 Rh01 119.9(2) . 3_766
C009 O005 Rh01 119.2(2) . 3_766
C009 O006 Rh01 119.3(2) . .
C00K O008 C00W 118.6(4) . .
O005 C009 O006 125.8(3) . .
O005 C009 C00B 116.6(3) . .
O006 C009 C00B 117.5(3) . .
O003 C00A O004 125.0(3) . .
O003 C00A C00C 117.9(3) . .
O004 C00A C00C 117.1(3) . .
C009 C00B C00O 108.6(3) . .
C009 C00B C00U 106.9(3) . .
C00N C00B C009 110.8(3) . .
C00N C00B C00O 110.4(3) . .
C00N C00B C00U 110.1(3) . .
C00U C00B C00O 110.0(3) . .
C00A C00C C00G 108.1(3) . .
C00A C00C C00M 108.0(3) . .
C00A C00C C00T 110.8(3) . .
C00M C00C C00G 108.8(3) . .
C00T C00C C00G 110.9(3) . .
C00T C00C C00M 110.1(3) . .
C00H C00D S002 119.2(3) . .
C00H C00D C00V 120.2(4) . .
C00H C00D S0 149.9(4) . .
C00V C00D S002 120.5(3) . .
C00V C00D S0 89.8(4) . .
C00F C00E H00E 118.6 . .
C00I C00E H00E 118.6 . .
C00I C00E C00F 122.7(4) . .
C00E C00F C00O 119.9(3) . .
C00P C00F C00E 117.8(4) . .
C00P C00F C00O 122.3(4) . .
C00C C00G H00A 108.4 . .
C00C C00G H00B 108.4 . .
H00A C00G H00B 107.4 . .
C00I C00G C00C 115.6(3) . .
C00I C00G H00A 108.4 . .
C00I C00G H00B 108.4 . .
C00D C00H H00H 120.2 . .
C00D C00H C00J 119.6(4) . .
C00J C00H H00H 120.2 . .
C00E C00I C00G 120.5(3) . .
C00E C00I C00L 118.3(4) . .
C00L C00I C00G 121.2(4) . .
C00H C00J H00J 119.1 . .
C00K C00J C00H 121.8(4) . .
C00K C00J H00J 119.1 . .
O008 C00K C00J 115.6(4) . .
O008 C00K C00R 125.3(4) . .
C00J C00K C00R 119.0(4) . .
C00I C00L H00L 120.3 . .
C00I C00L C00S 119.4(4) . .
C00S C00L H00L 120.3 . .
C00C C00M H00C 109.5 . .
C00C C00M H00D 109.5 . .
C00C C00M H00F 109.5 . .
H00C C00M H00D 109.5 . .
H00C C00M H00F 109.5 . .
H00D C00M H00F 109.5 . .
C00B C00N H00G 109.5 . .
C00B C00N H00I 109.5 . .
C00B C00N H00K 109.5 . .
H00G C00N H00I 109.5 . .
H00G C00N H00K 109.5 . .
H00I C00N H00K 109.5 . .
C00B C00O H00M 108.4 . .
C00B C00O H00N 108.4 . .
C00F C00O C00B 115.6(3) . .
C00F C00O H00M 108.4 . .
C00F C00O H00N 108.4 . .
H00M C00O H00N 107.5 . .
C00F C00P H00P 119.8 . .
C00S C00P C00F 120.5(4) . .
C00S C00P H00P 119.8 . .
H00O C00Q H00Q 109.5 . .
H00O C00Q H00R 109.5 . .
H00Q C00Q H00R 109.5 . .
S0 C00Q H00O 109.5 . .
S0 C00Q H00Q 109.5 . .
S0 C00Q H00R 109.5 . .
C00K C00R H00S 120.3 . .
C00K C00R C00V 119.3(4) . .
C00V C00R H00S 120.3 . .
C00L C00S H00T 119.4 . .
C00P C00S C00L 121.3(4) . .
C00P C00S H00T 119.4 . .
C00C C00T H00U 109.5 . .
C00C C00T H00V 109.5 . .
C00C C00T H00W 109.5 . .
H00U C00T H00V 109.5 . .
H00U C00T H00W 109.5 . .
H00V C00T H00W 109.5 . .
C00B C00U H00X 109.5 . .
C00B C00U H00Y 109.5 . .
C00B C00U H 109.5 . .
H00X C00U H00Y 109.5 . .
H00X C00U H 109.5 . .
H00Y C00U H 109.5 . .
C00D C00V C00R 120.0(4) . .
C00D C00V S0 52.6(3) . .
C00D C00V H00Z 124(3) . .
C00R C00V S0 172.3(5) . .
C00R C00V H00Z 116(3) . .
S0 C00V H00Z 71(3) . .
O008 C00W H00 109.5 . .
O008 C00W HA 109.5 . .
O008 C00W HB 109.5 . .
H00 C00W HA 109.5 . .
H00 C00W HB 109.5 . .
HA C00W HB 109.5 . .
O007 S0 C00D 119.2(7) . .
O007 S0 C00Q 128.0(6) . .
O007 S0 C00V 123.9(6) . .
C00D S0 C00V 37.6(2) . .
C00Q S0 C00D 102.4(5) . .
C00Q S0 C00V 108.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh01 Rh01 2.4100(5) 3_766
Rh01 S002 2.5021(13) .
Rh01 O003 2.032(2) .
Rh01 O004 2.042(2) 3_766
Rh01 O005 2.041(2) 3_766
Rh01 O006 2.032(2) .
S002 O007 1.464(3) .
S002 C00D 1.815(4) .
S002 C00Q 1.816(4) .
O003 C00A 1.262(4) .
O004 Rh01 2.042(2) 3_766
O004 C00A 1.272(4) .
O005 Rh01 2.041(2) 3_766
O005 C009 1.265(4) .
O006 C009 1.268(4) .
O007 S0 1.257(9) .
O008 C00K 1.352(5) .
O008 C00W 1.424(5) .
C009 C00B 1.529(5) .
C00A C00C 1.526(5) .
C00B C00N 1.526(5) .
C00B C00O 1.556(5) .
C00B C00U 1.542(5) .
C00C C00G 1.546(5) .
C00C C00M 1.533(6) .
C00C C00T 1.526(5) .
C00D C00H 1.347(5) .
C00D C00V 1.393(6) .
C00D S0 1.815(9) .
C00E H00E 0.9300 .
C00E C00F 1.400(5) .
C00E C00I 1.381(5) .
C00F C00O 1.498(5) .
C00F C00P 1.380(5) .
C00G H00A 0.9700 .
C00G H00B 0.9700 .
C00G C00I 1.511(5) .
C00H H00H 0.9300 .
C00H C00J 1.380(5) .
C00I C00L 1.392(5) .
C00J H00J 0.9300 .
C00J C00K 1.373(5) .
C00K C00R 1.378(6) .
C00L H00L 0.9300 .
C00L C00S 1.395(6) .
C00M H00C 0.9600 .
C00M H00D 0.9600 .
C00M H00F 0.9600 .
C00N H00G 0.9600 .
C00N H00I 0.9600 .
C00N H00K 0.9600 .
C00O H00M 0.9700 .
C00O H00N 0.9700 .
C00P H00P 0.9300 .
C00P C00S 1.373(6) .
C00Q H00O 0.9600 .
C00Q H00Q 0.9600 .
C00Q H00R 0.9600 .
C00Q S0 1.696(10) .
C00R H00S 0.9300 .
C00R C00V 1.398(6) .
C00S H00T 0.9300 .
C00T H00U 0.9600 .
C00T H00V 0.9600 .
C00T H00W 0.9600 .
C00U H00X 0.9600 .
C00U H00Y 0.9600 .
C00U H 0.9600 .
C00V S0 2.285(9) .
C00V H00Z 0.79(4) .
C00W H00 0.9600 .
C00W HA 0.9600 .
C00W HB 0.9600 .
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
Rh01 S002 C00D C00H -3.9(4) .
Rh01 S002 C00D C00V 174.3(3) .
Rh01 O003 C00A O004 1.0(5) .
Rh01 O003 C00A C00C -178.1(2) .
Rh01 O004 C00A O003 -0.5(5) 3_766
Rh01 O004 C00A C00C 178.6(2) 3_766
Rh01 O005 C009 O006 0.8(4) 3_766
Rh01 O005 C009 C00B -178.6(2) 3_766
Rh01 O006 C009 O005 -0.9(5) .
Rh01 O006 C009 C00B 178.4(2) .
S002 C00D C00H C00J 178.2(3) .
S002 C00D C00V C00R -178.0(3) .
O003 C00A C00C C00G -121.0(3) .
O003 C00A C00C C00M 121.4(4) .
O003 C00A C00C C00T 0.6(5) .
O004 C00A C00C C00G 59.8(4) .
O004 C00A C00C C00M -57.8(4) .
O004 C00A C00C C00T -178.5(3) .
O005 C009 C00B C00N 179.4(3) .
O005 C009 C00B C00O -59.1(4) .
O005 C009 C00B C00U 59.6(4) .
O006 C009 C00B C00N 0.0(5) .
O006 C009 C00B C00O 121.5(3) .
O006 C009 C00B C00U -119.9(3) .
O007 S002 C00D C00H 134.5(3) .
O007 S002 C00D C00V -47.2(4) .
O008 C00K C00R C00V 179.5(4) .
C009 C00B C00O C00F -55.2(4) .
C00A C00C C00G C00I 54.0(4) .
C00C C00G C00I C00E -86.3(4) .
C00C C00G C00I C00L 95.0(4) .
C00D C00H C00J C00K -1.6(7) .
C00E C00F C00O C00B 84.8(4) .
C00E C00F C00P C00S -2.5(6) .
C00E C00I C00L C00S -0.4(6) .
C00F C00E C00I C00G 179.3(3) .
C00F C00E C00I C00L -1.9(6) .
C00F C00P C00S C00L 0.3(7) .
C00G C00I C00L C00S 178.4(4) .
C00H C00D C00V C00R 0.2(7) .
C00H C00D C00V S0 177.8(6) .
C00H C00D S0 O007 75.2(12) .
C00H C00D S0 C00Q -72.5(10) .
C00H C00D S0 C00V -176.2(10) .
C00H C00J C00K O008 -179.0(4) .
C00H C00J C00K C00R 3.0(6) .
C00I C00E C00F C00O -177.4(3) .
C00I C00E C00F C00P 3.3(6) .
C00I C00L C00S C00P 1.2(7) .
C00J C00K C00R C00V -2.8(6) .
C00K C00R C00V C00D 1.2(7) .
C00M C00C C00G C00I 171.1(3) .
C00N C00B C00O C00F 66.5(4) .
C00O C00F C00P C00S 178.2(4) .
C00P C00F C00O C00B -95.9(4) .
C00Q S002 C00D C00H -113.6(4) .
C00Q S002 C00D C00V 64.7(4) .
C00T C00C C00G C00I -67.6(4) .
C00U C00B C00O C00F -171.8(3) .
C00V C00D C00H C00J 0.0(6) .
C00V C00D S0 O007 -108.7(7) .
C00V C00D S0 C00Q 103.7(5) .
C00W O008 C00K C00J 167.4(4) .
C00W O008 C00K C00R -14.8(7) .
S0 C00D C00H C00J 175.5(8) .
S0 C00D C00V C00R -177.5(5) .
