# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_156amm18
_database_code_depnum_ccdc_archive 'CCDC 1969934'
loop_
_audit_author_name
_audit_author_address
'Antonio Martinez-Martinez'
;University of Huelva
Spain
;
_audit_update_record             
;
2019-12-04 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H20 S2 Si'
_chemical_formula_sum            'C16 H20 S2 Si'
_chemical_formula_weight         304.53
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   8.55760(10)
_cell_length_b                   14.09020(10)
_cell_length_c                   13.42620(10)
_cell_angle_alpha                90
_cell_angle_beta                 99.3070(10)
_cell_angle_gamma                90
_cell_volume                     1597.60(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23530
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      76.1100
_cell_measurement_theta_min      4.5460
_shelx_estimated_absorpt_T_max   0.479
_shelx_estimated_absorpt_T_min   0.433
_exptl_absorpt_coefficient_mu    3.596
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0109
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38522
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.207
_diffrn_reflns_theta_min         4.581
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00   1.00   1.00    1.00    --  -42.66  38.00  90.00   45
  2  ω     -7.00  28.00   1.00    1.00    --  -42.66  38.00  30.00   35
  3  ω   -113.00 -16.00   1.00    1.00    --  -42.66 -77.00 -30.00   97
  4  ω    -75.00 -38.00   1.00    1.00    --  -42.66-178.00 -30.00   37
  5  ω   -115.00 -90.00   1.00    1.00    --  -42.66-178.00 -30.00   25
  6  ω     43.00  69.00   1.00    1.50    --  111.00 -30.00 150.00   26
  7  ω     42.00  80.00   1.00    1.50    --  111.00 -45.00 120.00   38
  8  ω     45.00  95.00   1.00    1.50    --  111.00 -45.00 150.00   50
  9  ω     60.00  87.00   1.00    1.50    --  111.00 -45.00  60.00   27
 10  ω     61.00  91.00   1.00    1.50    --  111.00 -30.00   0.00   30
 11  ω    100.00 126.00   1.00    1.50    --  111.00 -61.00 -30.00   26
 12  ω     71.00  98.00   1.00    1.50    --  111.00 -45.00-120.00   27
 13  ω     65.00  91.00   1.00    1.50    --  111.00 -77.00 -60.00   26
 14  ω     69.00  99.00   1.00    1.50    --  111.00 -61.00 -30.00   30
 15  ω     59.00  85.00   1.00    1.50    --  111.00 -30.00-120.00   26
 16  ω     42.00  71.00   1.00    1.50    --  111.00 -30.00-180.00   29
 17  ω     41.00  80.00   1.00    1.50    --  111.00 -45.00   0.00   39
 18  ω     39.00 108.00   1.00    1.50    --  111.00 -95.00   0.00   69
 19  ω     88.00 171.00   1.00    1.50    --  111.00  45.00  30.00   83
 20  ω    137.00 178.00   1.00    1.50    --  111.00 106.00  53.00   41
 21  ω     97.00 139.00   1.00    1.50    --  111.00 125.00  30.00   42
 22  ω    -47.00  25.00   1.00    1.00    --  -42.66  38.00   0.00   72
 23  ω     58.00 128.00   1.00    1.00    --   42.66 178.00-120.00   70
 24  ω     34.00  64.00   1.00    1.00    --   42.66 -19.00 -90.00   30
 25  ω      2.00  40.00   1.00    1.00    --   42.66 -99.00-180.00   38
 26  ω    -36.00  -7.00   1.00    1.00    --   42.66 -19.00 -90.00   29
 27  ω     96.00 121.00   1.00    1.50    --  111.00-125.00 -60.00   25
 28  ω     60.00  92.00   1.00    1.50    --  111.00-125.00 -60.00   32
 29  ω     41.00  66.00   1.00    1.50    --  111.00-125.00 150.00   25
 30  ω    106.00 132.00   1.00    1.50    --  111.00 125.00  60.00   26
 31  ω     63.00 107.00   1.00    1.50    --  111.00 -95.00 150.00   44
 32  ω     80.00 151.00   1.00    1.50    --  111.00  77.00-180.00   71
 33  ω     92.00 178.00   1.00    1.50    --  111.00  45.00 120.00   86
 34  ω     77.00 110.00   1.00    1.50    --  111.00-125.00 -90.00   33
 35  ω     43.00  89.00   1.00    1.50    --  111.00 -30.00 -60.00   46
 36  ω     71.00 121.00   1.00    1.50    --  111.00-125.00  60.00   50
 37  ω     81.00 120.00   1.00    1.50    --  111.00-125.00 150.00   39
 38  ω     57.00  89.00   1.00    1.50    --  111.00 -95.00 -90.00   32
 39  ω    145.00 171.00   1.00    1.50    --  111.00 125.00-150.00   26
 40  ω    110.00 157.00   1.00    1.50    --  111.00  45.00 150.00   47
 41  ω     38.00  63.00   1.00    1.50    --  111.00 -30.00   0.00   25
 42  ω    100.00 126.00   1.00    1.50    --  111.00   0.00 -30.00   26
 43  ω     23.00  97.00   1.00    1.00    --   42.66  38.00 -90.00   74
 44  ω    101.00 127.00   1.00    1.00    --   42.66 178.00 -60.00   26
 45  ω     54.00  80.00   1.00    1.50    --  111.00 -45.00  90.00   26
 46  ω    122.00 148.00   1.00    1.50    --  111.00  45.00   0.00   26
 47  ω     71.00  96.00   1.00    1.50    --  111.00  15.00-120.00   25
 48  ω    139.00 165.00   1.00    1.50    --  111.00  15.00-120.00   26
 49  ω    153.00 178.00   1.00    1.50    --  111.00 125.00 -60.00   25
 50  ω      7.00  32.00   1.00    1.00    --   42.00  87.00  16.88   25
 51  ω      7.00  33.00   1.00    1.00    --   42.00  87.00 -38.11   26
 52  ω   -115.00 -86.00   1.00    1.00    --  -42.66 -38.00  90.00   29
 53  ω    -64.00 -23.00   1.00    1.00    --  -42.66 -38.00  90.00   41
 54  ω     16.00  58.00   1.00    1.00    --   42.66  57.00  90.00   42
 55  ω     60.00 127.00   1.00    1.00    --   42.66 178.00  30.00   67
 56  ω     15.00  44.00   1.00    1.00    --   46.00  78.00 173.50   29
 57  ω     19.00  44.00   1.00    1.00    --   46.00  62.00 -70.11   25
 58  ω     17.00  42.00   1.00    1.00    --   50.00  82.00-119.37   25
 59  ω     22.00  47.00   1.00    1.00    --   54.00  78.00 145.12   25
 60  ω     22.00  47.00   1.00    1.00    --   54.00  78.00  -4.27   25
 61  ω     28.00  54.00   1.00    1.00    --   58.00  76.00  37.62   26
 62  ω     27.00  53.00   1.00    1.00    --   58.00  74.00  98.95   26
 63  ω     32.00  65.00   1.00    1.00    --   62.00  77.00 -72.00   33
 64  ω     33.00  59.00   1.00    1.00    --   62.00  76.00  42.28   26
 65  ω     32.00  57.00   1.00    1.00    --   62.00  75.00-128.99   25
 66  ω     31.00  57.00   1.00    1.00    --   62.00  77.00-164.09   26
 67  ω     39.00  65.00   1.00    1.00    --   70.00  76.00  55.20   26
 68  ω     39.00  65.00   1.00    1.00    --   70.00  76.00 118.49   26
 69  ω     43.00  69.00   1.00    1.00    --   74.00  76.00 -33.87   26
 70  ω     43.00  69.00   1.00    1.00    --   74.00  77.00-119.31   26
 71  ω     43.00  78.00   1.00    1.00    --   74.00  76.00-176.06   35
 72  ω     43.00  70.00   1.00    1.00    --   74.00  77.00 147.28   27
 73  ω     47.00  72.00   1.00    1.50    --   78.00  76.00 129.10   25
 74  ω     54.00  89.00   1.00    1.50    --   82.00  63.00 -86.21   35
 75  ω     58.00  84.00   1.00    1.50    --   86.00  62.00 -43.62   26
 76  ω     57.00 100.00   1.00    1.50    --   86.00  67.00  -7.93   43
 77  ω     58.00  87.00   1.00    1.50    --   86.00  66.00  68.08   29
 78  ω    105.00 142.00   1.00    1.50    --   86.00  67.00  -7.93   37
 79  ω     61.00  87.00   1.00    1.50    --   90.00  66.00  87.53   26
 80  ω     62.00  89.00   1.00    1.50    --   90.00  72.00 146.37   27
 81  ω     68.00  94.00   1.00    1.50    --   98.00  72.00-144.31   26
 82  ω     72.00 134.00   1.00    1.50    --  102.00  73.00  13.02   62
 83  ω     80.00 166.00   1.00    1.50    --  111.00  77.00 -90.00   86
 84  ω     80.00 108.00   1.00    1.50    --  111.00  77.00  90.00   28
 85  ω    127.00 153.00   1.00    1.50    --  111.00  77.00 150.00   26
 86  ω     80.00 143.00   1.00    1.50    --  111.00  77.00-120.00   63
 87  ω     80.00 106.00   1.00    1.50    --  111.00  77.00 150.00   26
 88  ω    122.00 147.00   1.00    1.50    --  111.00  61.00-120.00   25
 89  ω     80.00 106.00   1.00    1.50    --  111.00  77.00   0.00   26
 90  ω     85.00 119.00   1.00    1.50    --  111.00  61.00-120.00   34
 91  ω    114.00 140.00   1.00    1.50    --  111.00  61.00-150.00   26
 92  ω     83.00 110.00   1.00    1.50    --  111.00  61.00-150.00   27
 93  ω     80.00 111.00   1.00    1.50    --  111.00  77.00  60.00   31
 94  ω     85.00 115.00   1.00    1.50    --  111.00  61.00  90.00   30
 95  ω     87.00 138.00   1.00    1.50    --  111.00  61.00 -60.00   51
 96  ω    133.00 159.00   1.00    1.50    --  111.00  61.00-180.00   26
 97  ω     84.00 109.00   1.00    1.50    --  111.00  61.00-180.00   25
 98  ω     81.00 163.00   1.00    1.50    --  111.00  74.00 -39.56   82
 99  ω     80.00 134.00   1.00    1.50    --  111.00  77.00  30.00   54
100  ω     81.00 107.00   1.00    1.50    --  111.00  77.00 120.00   26
101  ω     80.00 112.00   1.00    1.50    --  111.00  77.00-150.00   32
102  ω    139.00 166.00   1.00    1.50    --  111.00  61.00   0.00   27
103  ω     84.00 109.00   1.00    1.50    --  111.00  61.00   0.00   25
104  ω    113.00 158.00   1.00    1.50    --  111.00  77.00 -60.00   45
105  ω     80.00 107.00   1.00    1.50    --  111.00  77.00 -60.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3162
_reflns_number_total             3336
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         3336
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0243
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0325P)²+0.6233P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0636
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.49843(4) 0.16395(2) 0.23572(2) 0.02497(8) Uani 1 1 d . . . . .
S2 S 0.22784(3) 0.40723(2) 0.39950(2) 0.02340(8) Uani 1 1 d . . . . .
Si1 Si 0.51176(4) 0.24983(2) 0.46695(2) 0.01857(8) Uani 1 1 d . . . . .
C1 C 0.58173(13) 0.27805(8) 0.26188(8) 0.0190(2) Uani 1 1 d . . . . .
C2 C 0.58736(12) 0.31431(8) 0.36059(8) 0.0187(2) Uani 1 1 d . . . . .
C3 C 0.65238(14) 0.40500(8) 0.37938(10) 0.0256(2) Uani 1 1 d . . . . .
H3 H 0.657263 0.431424 0.444910 0.031 Uiso 1 1 calc R . . . .
C4 C 0.70994(15) 0.45772(9) 0.30590(11) 0.0318(3) Uani 1 1 d . . . . .
H4 H 0.753052 0.519130 0.321224 0.038 Uiso 1 1 calc R . . . .
C5 C 0.70410(15) 0.42024(9) 0.21021(11) 0.0302(3) Uani 1 1 d . . . . .
H5 H 0.744018 0.455840 0.159738 0.036 Uiso 1 1 calc R . . . .
C6 C 0.64026(14) 0.33095(8) 0.18765(9) 0.0251(2) Uani 1 1 d . . . . .
H6 H 0.636179 0.305574 0.121724 0.030 Uiso 1 1 calc R . . . .
C7 C 0.50190(17) 0.14727(9) 0.10379(9) 0.0302(3) Uani 1 1 d . . . . .
H7A H 0.437865 0.196574 0.065129 0.045 Uiso 1 1 calc GR . . . .
H7B H 0.458462 0.084671 0.083005 0.045 Uiso 1 1 calc GR . . . .
H7C H 0.611283 0.151432 0.091075 0.045 Uiso 1 1 calc GR . . . .
C8 C 0.17867(13) 0.28415(8) 0.39577(8) 0.0197(2) Uani 1 1 d . . . . .
C9 C 0.29683(13) 0.21670(8) 0.42850(8) 0.0188(2) Uani 1 1 d . . . . .
C10 C 0.24851(15) 0.12147(8) 0.42941(9) 0.0244(2) Uani 1 1 d . . . . .
H10 H 0.325013 0.074145 0.452284 0.029 Uiso 1 1 calc R . . . .
C11 C 0.09248(16) 0.09444(9) 0.39793(10) 0.0299(3) Uani 1 1 d . . . . .
H11 H 0.063245 0.029506 0.399878 0.036 Uiso 1 1 calc R . . . .
C12 C -0.02053(15) 0.16222(10) 0.36367(10) 0.0307(3) Uani 1 1 d . . . . .
H12 H -0.126873 0.143686 0.340282 0.037 Uiso 1 1 calc R . . . .
C13 C 0.02168(15) 0.25719(9) 0.36353(9) 0.0265(3) Uani 1 1 d . . . . .
H13 H -0.056256 0.303946 0.341497 0.032 Uiso 1 1 calc R . . . .
C14 C 0.21584(19) 0.43304(10) 0.26712(10) 0.0372(3) Uani 1 1 d . . . . .
H14A H 0.107252 0.422476 0.232686 0.056 Uiso 1 1 calc GR . . . .
H14B H 0.288252 0.391319 0.238036 0.056 Uiso 1 1 calc GR . . . .
H14C H 0.245472 0.499376 0.258597 0.056 Uiso 1 1 calc GR . . . .
C15 C 0.54004(16) 0.32277(10) 0.58466(9) 0.0315(3) Uani 1 1 d . . . . .
H15A H 0.653324 0.327786 0.611266 0.047 Uiso 1 1 calc GR . . . .
H15B H 0.485494 0.292448 0.635055 0.047 Uiso 1 1 calc GR . . . .
H15C H 0.496146 0.386334 0.569412 0.047 Uiso 1 1 calc GR . . . .
C16 C 0.62712(15) 0.13743(9) 0.49681(10) 0.0289(3) Uani 1 1 d . . . . .
H16A H 0.615694 0.097189 0.436529 0.043 Uiso 1 1 calc GR . . . .
H16B H 0.586758 0.103592 0.551151 0.043 Uiso 1 1 calc GR . . . .
H16C H 0.739191 0.152748 0.518352 0.043 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
S1 C1 1.7707(11) . ?
S1 C7 1.7919(12) . ?
S2 C8 1.7834(12) . ?
S2 C14 1.8007(13) . ?
Si1 C2 1.8926(11) . ?
Si1 C9 1.8868(12) . ?
Si1 C15 1.8678(13) . ?
Si1 C16 1.8750(12) . ?
C1 C2 1.4140(15) . ?
C1 C6 1.4004(16) . ?
C2 C3 1.4002(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.3875(18) . ?
C4 H4 0.9500 . ?
C4 C5 1.382(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.3855(18) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.4054(16) . ?
C8 C13 1.3959(17) . ?
C9 C10 1.4047(16) . ?
C10 H10 0.9500 . ?
C10 C11 1.3871(18) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.3862(18) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?

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
C1 S1 C7 104.16(6) . . ?
C8 S2 C14 101.14(6) . . ?
C9 Si1 C2 110.45(5) . . ?
C15 Si1 C2 111.15(6) . . ?
C15 Si1 C9 110.78(5) . . ?
C15 Si1 C16 106.99(6) . . ?
C16 Si1 C2 109.54(5) . . ?
C16 Si1 C9 107.81(6) . . ?
C2 C1 S1 117.75(8) . . ?
C6 C1 S1 121.40(9) . . ?
C6 C1 C2 120.85(10) . . ?
C1 C2 Si1 124.73(8) . . ?
C3 C2 Si1 118.46(9) . . ?
C3 C2 C1 116.81(10) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.47(12) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.51(11) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.26(11) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.10(12) . . ?
C5 C6 H6 120.0 . . ?
S1 C7 H7A 109.5 . . ?
S1 C7 H7B 109.5 . . ?
S1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 S2 119.62(9) . . ?
C13 C8 S2 118.96(9) . . ?
C13 C8 C9 121.38(11) . . ?
C8 C9 Si1 122.58(8) . . ?
C10 C9 Si1 120.61(9) . . ?
C10 C9 C8 116.79(11) . . ?
C9 C10 H10 119.0 . . ?
C11 C10 C9 121.99(11) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.89(12) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.90(12) . . ?
C13 C12 H12 120.1 . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.01(12) . . ?
C12 C13 H13 120.0 . . ?
S2 C14 H14A 109.5 . . ?
S2 C14 H14B 109.5 . . ?
S2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
S1 C1 C2 Si1 -0.16(13) . . . . ?
S1 C1 C2 C3 -179.44(8) . . . . ?
S1 C1 C6 C5 179.69(9) . . . . ?
S2 C8 C9 Si1 -5.15(13) . . . . ?
S2 C8 C9 C10 176.25(8) . . . . ?
S2 C8 C13 C12 -177.52(9) . . . . ?
Si1 C2 C3 C4 -179.66(10) . . . . ?
Si1 C9 C10 C11 -177.49(9) . . . . ?
C1 C2 C3 C4 -0.33(17) . . . . ?
C2 Si1 C9 C8 -56.80(10) . . . . ?
C2 Si1 C9 C10 121.75(9) . . . . ?
C2 C1 C6 C5 -0.30(17) . . . . ?
C2 C3 C4 C5 -0.16(19) . . . . ?
C3 C4 C5 C6 0.44(19) . . . . ?
C4 C5 C6 C1 -0.21(19) . . . . ?
C6 C1 C2 Si1 179.84(9) . . . . ?
C6 C1 C2 C3 0.56(16) . . . . ?
C7 S1 C1 C2 176.59(9) . . . . ?
C7 S1 C1 C6 -3.40(11) . . . . ?
C8 C9 C10 C11 1.14(17) . . . . ?
C9 Si1 C2 C1 -56.16(10) . . . . ?
C9 Si1 C2 C3 123.10(9) . . . . ?
C9 C8 C13 C12 0.21(17) . . . . ?
C9 C10 C11 C12 0.46(18) . . . . ?
C10 C11 C12 C13 -1.77(19) . . . . ?
C11 C12 C13 C8 1.45(19) . . . . ?
C13 C8 C9 Si1 177.13(8) . . . . ?
C13 C8 C9 C10 -1.47(16) . . . . ?
C14 S2 C8 C9 108.67(10) . . . . ?
C14 S2 C8 C13 -73.56(10) . . . . ?
C15 Si1 C2 C1 -179.55(9) . . . . ?
C15 Si1 C2 C3 -0.28(11) . . . . ?
C15 Si1 C9 C8 66.80(10) . . . . ?
C15 Si1 C9 C10 -114.65(10) . . . . ?
C16 Si1 C2 C1 62.43(11) . . . . ?
C16 Si1 C2 C3 -118.30(9) . . . . ?
C16 Si1 C9 C8 -176.45(9) . . . . ?
C16 Si1 C9 C10 2.10(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_165amm18
_database_code_depnum_ccdc_archive 'CCDC 1969936'
loop_
_audit_author_name
_audit_author_address
'Antonio Martinez-Martinez'
;University of Huelva
Spain
;
_audit_update_record             
;
2019-12-04 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_audit_creation_date             2019-12-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H28 Rh S2 Si, 2(C H2 Cl2), C32 H12 B F24'
_chemical_formula_sum            'C57 H44 B Cl4 F24 Rh S2 Si'
_chemical_formula_weight         1532.65
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C56 H70 Rh1 B1 F24 Si1 S2 Cl4'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   26.2033(2)
_cell_length_b                   12.75000(10)
_cell_length_c                   38.5848(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.0030(10)
_cell_angle_gamma                90
_cell_volume                     12451.45(18)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    70019
_cell_measurement_temperature    150.01(14)
_cell_measurement_theta_max      76.1980
_cell_measurement_theta_min      3.6180
_shelx_estimated_absorpt_T_max   0.432
_shelx_estimated_absorpt_T_min   0.334
_exptl_absorpt_coefficient_mu    5.610
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             6128
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0137
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            127558
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.429
_diffrn_reflns_theta_min         3.493
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00  41.00   1.00    2.00    --  -42.66   0.00 150.00  123
  2  ω     81.00 124.00   1.00    2.00    --   42.66 178.00 -90.00   43
  3  ω   -121.00 -56.00   1.00    2.00    --  -42.66 178.00-120.00   65
  4  ω    143.00 173.00   1.00    8.00    --  111.00 117.00 -26.00   30
  5  ω     82.00 175.00   1.00    8.00    --  111.00  15.00-180.00   93
  6  ω     84.00 109.00   1.00    8.00    --  111.00 -95.00-120.00   25
  7  ω     93.00 120.00   1.00    8.00    --  111.00-125.00-120.00   27
  8  ω     68.00  94.00   1.00    8.00    --  111.00 -45.00-150.00   26
  9  ω     50.00  91.00   1.00    8.00    --  111.00 -30.00-150.00   41
 10  ω     63.00  94.00   1.00    8.00    --  111.00 -45.00 -60.00   31
 11  ω     50.00  89.00   1.00    8.00    --  111.00 -30.00 -30.00   39
 12  ω     39.00  86.00   1.00    8.00    --  111.00 -30.00  30.00   47
 13  ω     36.00  90.00   1.00    8.00    --  111.00 -30.00  90.00   54
 14  ω     31.00  90.00   1.00    8.00    --  111.00 -95.00   0.00   59
 15  ω     51.00 117.00   1.00    8.00    --  111.00-125.00   0.00   66
 16  ω     40.00  82.00   1.00    8.00    --  111.00-125.00-120.00   42
 17  ω     37.00 124.00   1.00    8.00    --  111.00 -77.00-120.00   87
 18  ω   -111.00 -24.00   1.00    2.00    --  -42.66 -38.00 120.00   87
 19  ω     62.00 119.00   1.00    2.00    --   42.66 178.00   0.00   57
 20  ω     63.00 121.00   1.00    2.00    --   42.66  19.00-150.00   58
 21  ω     60.00 118.00   1.00    2.00    --   42.66-178.00 120.00   58
 22  ω     40.00  90.00   1.00    8.00    --  111.00 -45.00  30.00   50
 23  ω    111.00 142.00   1.00    8.00    --  111.00 -77.00  30.00   31
 24  ω     56.00 109.00   1.00    8.00    --  111.00 -95.00  90.00   53
 25  ω     77.00 155.00   1.00    8.00    --  111.00 -15.00  60.00   78
 26  ω     92.00 121.00   1.00    8.00    --  111.00-125.00  90.00   29
 27  ω     74.00 116.00   1.00    8.00    --  111.00-125.00  60.00   42
 28  ω     93.00 119.00   1.00    8.00    --  111.00  45.00  60.00   26
 29  ω     55.00  83.00   1.00    8.00    --  111.00 -77.00  30.00   28
 30  ω     43.00  69.00   1.00    8.00    --  111.00 -15.00  60.00   26
 31  ω     72.00 121.00   1.00    8.00    --  111.00-125.00-150.00   49
 32  ω     88.00 116.00   1.00    8.00    --  111.00-125.00 -90.00   28
 33  ω     39.00  77.00   1.00    8.00    --  111.00-125.00 -90.00   38
 34  ω     45.00  77.00   1.00    8.00    --  111.00 -45.00  90.00   32
 35  ω     42.00  79.00   1.00    8.00    --  111.00 -15.00-180.00   37
 36  ω     82.00 144.00   1.00    8.00    --  111.00 -15.00-180.00   62
 37  ω     48.00  75.00   1.00    8.00    --  111.00 -77.00-180.00   27
 38  ω     71.00  97.00   1.00    2.00    --   42.66 178.00-180.00   26
 39  ω     50.00  76.00   1.00    8.00    --  111.00 -30.00 -60.00   26
 40  ω    109.00 135.00   1.00    8.00    --  111.00  30.00 120.00   26
 41  ω    124.00 173.00   1.00    8.00    --  111.00  30.00  60.00   49
 42  ω      3.00  28.00   1.00    2.00    --   38.00  89.00-111.29   25
 43  ω      1.00  26.00   1.00    2.00    --   38.00  93.00   7.61   25
 44  ω     -6.00  26.00   1.00    2.00    --  -42.66  57.00 150.00   32
 45  ω   -112.00 -16.00   1.00    2.00    --  -42.66 -57.00   0.00   96
 46  ω    -68.00 -22.00   1.00    2.00    --  -42.66 -38.00  30.00   46
 47  ω     13.00  38.00   1.00    2.00    --   46.00  83.00-178.06   25
 48  ω     14.00  46.00   1.00    2.00    --   46.00  80.00 113.40   32
 49  ω     19.00  44.00   1.00    2.00    --   50.00  81.00 -87.26   25
 50  ω     22.00  47.00   1.00    2.00    --   54.00  78.00 -27.15   25
 51  ω     22.00  47.00   1.00    2.00    --   54.00  78.00  67.57   25
 52  ω     31.00  57.00   1.00    2.00    --   62.00  75.00 115.34   26
 53  ω     34.00  60.00   1.00    2.00    --   62.00  75.00 -26.50   26
 54  ω     77.00 104.00   1.00    2.00    --   62.00  75.00 115.34   27
 55  ω     35.00  66.00   1.00    2.00    --   66.00  75.00  17.96   31
 56  ω     35.00  61.00   1.00    2.00    --   66.00  75.00 161.74   26
 57  ω     39.00  65.00   1.00    2.00    --   70.00  75.00  65.04   26
 58  ω     39.00  65.00   1.00    2.00    --   70.00  74.00-175.99   26
 59  ω     39.00  65.00   1.00    2.00    --   70.00  77.00-122.29   26
 60  ω    106.00 132.00   1.00    2.00    --   70.00  76.00  -6.00   26
 61  ω     39.00  65.00   1.00    2.00    --   70.00  76.00 -84.58   26
 62  ω     39.00  65.00   1.00    2.00    --   70.00  77.00-150.96   26
 63  ω     39.00  64.00   1.00    2.00    --   70.00  76.00  -6.00   25
 64  ω     43.00  69.00   1.00    2.00    --   74.00  76.00 115.40   26
 65  ω     49.00  74.00   1.00    2.00    --   74.00  69.00  92.65   25
 66  ω     47.00  77.00   1.00    8.00    --   78.00  75.00 -75.87   30
 67  ω     53.00  87.00   1.00    8.00    --   82.00  68.00   8.19   34
 68  ω     55.00  81.00   1.00    8.00    --   82.00  60.00-176.75   26
 69  ω     56.00  83.00   1.00    8.00    --   86.00  73.00-120.24   27
 70  ω     55.00  82.00   1.00    8.00    --   86.00  77.00 121.63   27
 71  ω     60.00  86.00   1.00    8.00    --   86.00  56.00 -19.30   26
 72  ω     58.00 142.00   1.00    8.00    --   86.00  66.00  59.89   84
 73  ω     59.00  86.00   1.00    8.00    --   90.00  77.00 171.96   27
 74  ω     80.00 147.00   1.00    8.00    --  111.00  77.00-120.00   67
 75  ω     80.00 106.00   1.00    8.00    --  111.00  77.00 150.00   26
 76  ω     80.00 111.00   1.00    8.00    --  111.00  77.00  90.00   31
 77  ω     86.00 113.00   1.00    8.00    --  111.00  61.00 120.00   27
 78  ω     80.00 118.00   1.00    8.00    --  111.00  77.00 -90.00   38
 79  ω     83.00 119.00   1.00    8.00    --  111.00  61.00  90.00   36
 80  ω     80.00 121.00   1.00    8.00    --  111.00  77.00   0.00   41
 81  ω     85.00 129.00   1.00    8.00    --  111.00  61.00-180.00   44
 82  ω     83.00 121.00   1.00    8.00    --  111.00  61.00   0.00   38
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0416361000
_diffrn_orient_matrix_UB_12      -0.0396911000
_diffrn_orient_matrix_UB_13      -0.0186829000
_diffrn_orient_matrix_UB_21      0.0076511000
_diffrn_orient_matrix_UB_22      0.1126962000
_diffrn_orient_matrix_UB_23      -0.0121644000
_diffrn_orient_matrix_UB_31      0.0437378000
_diffrn_orient_matrix_UB_32      0.0180854000
_diffrn_orient_matrix_UB_33      0.0348124000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12233
_reflns_number_total             12964
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     899
_refine_ls_number_reflns         12964
_refine_ls_number_restraints     456
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0306
_refine_ls_restrained_S_all      1.094
_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)+(0.0439P)²+25.1611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0829
_refine_special_details          ?
_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. Restrained distances
 F23-F21 \\sim F23-F22 \\sim F21-F22 \\sim F23A-F22A \\sim F23A-F21A \\sim
F22A-F21A
 with sigma of 0.04
 F10A-F11A \\sim F10A-F12A \\sim F10-F11 \\sim F10-F12 \\sim F11-F12 \\sim
F11A-F12A
 with sigma of 0.04
 C39-F10A \\sim C39-F10 \\sim C39-F11 \\sim C39-F11A \\sim C39-F12 \\sim
C39-F12A
 with sigma of 0.02
 C55-F23 \\sim C55-F21 \\sim C55-F22 \\sim C55-F23A \\sim C55-F22A \\sim
C55-F21A
 with sigma of 0.02
 F2-F3 \\sim F2-F1 \\sim F2A-F3A \\sim F2A-F1A \\sim F3A-F1A \\sim F3-F1
 with sigma of 0.04
 C30-F2 \\sim C30-F2A \\sim C30-F3A \\sim C30-F3 \\sim C30-F1A \\sim C30-F1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C39 \\sim F10 \\sim F11 \\sim F12 \\sim F10A \\sim F11A \\sim F12A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C55 \\sim F21 \\sim F22 \\sim F23 \\sim F21A \\sim F22A \\sim F23A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C30 \\sim F1 \\sim F2 \\sim F3 \\sim F1A \\sim F2A \\sim F3A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(F3) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(C30) \\sim
Ueq, Uanis(F1A) \\sim Ueq, Uanis(F3A) \\sim Ueq, Uanis(F2A) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C39, F10, F11, F12, F10A, F11A, F12A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C55, F21, F22, F23, F21A, F22A, F23A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C30, F1, F2, F3, F1A, F2A, F3A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F21A)=Sof(F22A)=Sof(F23A)=1-FVAR(1)
 Sof(F21)=Sof(F22)=Sof(F23)=FVAR(1)
 Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(2)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(2)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=1-FVAR(3)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
6.b Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C56(H56A,H56B), C57(H57A,H57B)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 C25(H25), C27(H27), C29(H29), C33(H33), C35(H35), C37(H37), C41(H41), C43(H43),
  C45(H45), C49(H49), C51(H51), C53(H53)
6.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.88025(2) 1.06508(2) 0.39314(2) 0.02063(5) Uani 1 1 d . . . . .
S1 S 0.96426(2) 0.98361(4) 0.41055(2) 0.02462(10) Uani 1 1 d . . . . .
S2 S 0.86620(2) 0.97649(4) 0.33754(2) 0.02214(9) Uani 1 1 d . . . . .
Si1 Si 0.97052(2) 0.81744(4) 0.34449(2) 0.02276(11) Uani 1 1 d . . . . .
C1 C 0.99643(7) 1.02632(16) 0.37744(5) 0.0247(4) Uani 1 1 d . . . . .
C2 C 0.99377(7) 0.95877(15) 0.34841(5) 0.0237(4) Uani 1 1 d . . . . .
C3 C 1.01635(9) 0.99651(18) 0.32156(6) 0.0332(5) Uani 1 1 d . . . . .
H3 H 1.014652 0.954165 0.301037 0.040 Uiso 1 1 calc R . . . .
C4 C 1.04107(10) 1.0935(2) 0.32397(7) 0.0406(5) Uani 1 1 d . . . . .
H4 H 1.056293 1.116164 0.305419 0.049 Uiso 1 1 calc R . . . .
C5 C 1.04353(9) 1.15707(19) 0.35335(7) 0.0412(5) Uani 1 1 d . . . . .
H5 H 1.060880 1.223041 0.355221 0.049 Uiso 1 1 calc R . . . .
C6 C 1.02057(9) 1.12422(17) 0.38011(6) 0.0343(5) Uani 1 1 d . . . . .
H6 H 1.021322 1.168251 0.400102 0.041 Uiso 1 1 calc R . . . .
C7 C 1.00424(9) 1.0397(2) 0.45140(6) 0.0391(5) Uani 1 1 d . . . . .
H7A H 1.001382 1.116316 0.450152 0.059 Uiso 1 1 calc GR . . . .
H7B H 1.041186 1.019120 0.454503 0.059 Uiso 1 1 calc GR . . . .
H7C H 0.991925 1.014198 0.471794 0.059 Uiso 1 1 calc GR . . . .
C8 C 0.86201(7) 0.84522(15) 0.35300(5) 0.0227(4) Uani 1 1 d . . . . .
C9 C 0.90771(7) 0.78385(15) 0.35797(5) 0.0234(4) Uani 1 1 d . . . . .
C10 C 0.90489(9) 0.68263(17) 0.37187(6) 0.0314(4) Uani 1 1 d . . . . .
H10 H 0.934986 0.638304 0.375767 0.038 Uiso 1 1 calc R . . . .
C11 C 0.85967(9) 0.64529(18) 0.38010(6) 0.0353(5) Uani 1 1 d . . . . .
H11 H 0.859147 0.576435 0.389411 0.042 Uiso 1 1 calc R . . . .
C12 C 0.81540(8) 0.70829(18) 0.37475(6) 0.0327(5) Uani 1 1 d . . . . .
H12 H 0.784317 0.682760 0.380215 0.039 Uiso 1 1 calc R . . . .
C13 C 0.81656(8) 0.80886(17) 0.36139(6) 0.0283(4) Uani 1 1 d . . . . .
H13 H 0.786416 0.852895 0.357959 0.034 Uiso 1 1 calc R . . . .
C14 C 0.80097(8) 1.00190(18) 0.30929(6) 0.0304(4) Uani 1 1 d . . . . .
H14A H 0.775062 0.995886 0.323512 0.046 Uiso 1 1 calc GR . . . .
H14B H 0.792677 0.950772 0.289670 0.046 Uiso 1 1 calc GR . . . .
H14C H 0.799702 1.072866 0.299349 0.046 Uiso 1 1 calc GR . . . .
C15 C 0.95926(10) 0.7778(2) 0.29662(7) 0.0429(6) Uani 1 1 d . . . . .
H15A H 0.942914 0.708109 0.293140 0.064 Uiso 1 1 calc GR . . . .
H15B H 0.993131 0.775689 0.290286 0.064 Uiso 1 1 calc GR . . . .
H15C H 0.935821 0.828615 0.281265 0.064 Uiso 1 1 calc GR . . . .
C16 C 1.02512(8) 0.73978(17) 0.37366(7) 0.0361(5) Uani 1 1 d . . . . .
H16A H 1.028170 0.757014 0.398864 0.054 Uiso 1 1 calc GR . . . .
H16B H 1.058373 0.756608 0.367736 0.054 Uiso 1 1 calc GR . . . .
H16C H 1.017593 0.664791 0.369739 0.054 Uiso 1 1 calc GR . . . .
C17 C 0.87315(8) 1.11261(17) 0.44502(5) 0.0286(4) Uani 1 1 d . . . . .
H17 H 0.893916 1.080033 0.467915 0.034 Uiso 1 1 calc R . . . .
C18 C 0.89135(8) 1.19712(16) 0.42875(6) 0.0281(4) Uani 1 1 d . . . . .
H18 H 0.926465 1.231073 0.438841 0.034 Uiso 1 1 calc R . . . .
C19 C 0.84220(8) 1.25771(16) 0.40824(6) 0.0290(4) Uani 1 1 d . . . . .
H19 H 0.847511 1.331390 0.401005 0.035 Uiso 1 1 calc R . . . .
C20 C 0.81865(8) 1.17925(16) 0.37811(6) 0.0275(4) Uani 1 1 d . . . . .
H20 H 0.802505 1.200632 0.352700 0.033 Uiso 1 1 calc R . . . .
C21 C 0.80051(8) 1.09500(16) 0.39454(6) 0.0282(4) Uani 1 1 d . . . . .
H21 H 0.770143 1.049903 0.381943 0.034 Uiso 1 1 calc R . . . .
C22 C 0.81252(9) 1.12117(17) 0.43465(6) 0.0313(4) Uani 1 1 d . . . . .
H22 H 0.793066 1.080666 0.449385 0.038 Uiso 1 1 calc R . . . .
C23 C 0.80531(9) 1.24102(17) 0.43308(6) 0.0335(5) Uani 1 1 d . . . . .
H23A H 0.818459 1.275067 0.456780 0.040 Uiso 1 1 calc R . . . .
H23B H 0.768424 1.262602 0.421908 0.040 Uiso 1 1 calc R . . . .
Cl1 Cl 0.51375(3) 0.24442(6) 0.48080(2) 0.06037(18) Uani 1 1 d . . . . .
Cl2 Cl 0.40632(3) 0.17245(8) 0.47369(3) 0.0810(3) Uani 1 1 d . . . . .
C56 C 0.44732(14) 0.2770(3) 0.46962(10) 0.0709(10) Uani 1 1 d . . . . .
H56A H 0.437069 0.302804 0.444563 0.085 Uiso 1 1 calc R . . . .
H56B H 0.441775 0.334990 0.485327 0.085 Uiso 1 1 calc R . . . .
Cl3 Cl 0.40327(3) 0.78540(5) 0.30985(2) 0.04817(15) Uani 1 1 d . . . . .
Cl4 Cl 0.37242(4) 0.91573(7) 0.24549(2) 0.0673(2) Uani 1 1 d . . . . .
C57 C 0.41066(16) 0.8117(3) 0.26696(9) 0.0739(11) Uani 1 1 d . . . . .
H57A H 0.448290 0.827327 0.268838 0.089 Uiso 1 1 calc R . . . .
H57B H 0.401168 0.747978 0.252010 0.089 Uiso 1 1 calc R . . . .
F00L F 0.43121(5) 0.52486(17) 0.28373(4) 0.0571(4) Uani 1 1 d . . . . .
F4 F 0.67423(6) 0.73934(13) 0.24138(4) 0.0461(3) Uani 1 1 d . . . . .
F5 F 0.71240(7) 0.83087(12) 0.28686(5) 0.0549(4) Uani 1 1 d . . . . .
F6 F 0.63175(6) 0.78384(12) 0.27972(4) 0.0442(3) Uani 1 1 d . . . . .
F7 F 0.81871(6) 0.44845(12) 0.49945(4) 0.0463(4) Uani 1 1 d . . . . .
F8 F 0.86329(6) 0.50340(15) 0.46412(4) 0.0546(4) Uani 1 1 d . . . . .
F9 F 0.85581(6) 0.59907(13) 0.50813(4) 0.0537(4) Uani 1 1 d . . . . .
F13 F 0.49709(6) 0.45829(13) 0.26826(4) 0.0464(3) Uani 1 1 d . . . . .
F14 F 0.48932(6) 0.62456(13) 0.27064(4) 0.0518(4) Uani 1 1 d . . . . .
F15 F 0.50943(9) 0.49640(14) 0.44261(5) 0.0759(7) Uani 1 1 d . . . . .
F16 F 0.44639(6) 0.58210(18) 0.40926(5) 0.0669(5) Uani 1 1 d . . . . .
F17 F 0.51653(6) 0.66057(13) 0.43755(4) 0.0491(4) Uani 1 1 d . . . . .
F18 F 0.66871(7) 0.01698(10) 0.33500(4) 0.0503(4) Uani 1 1 d . . . . .
F19 F 0.61346(5) 0.12384(12) 0.30176(4) 0.0428(3) Uani 1 1 d . . . . .
F20 F 0.69641(6) 0.14615(12) 0.30947(4) 0.0433(3) Uani 1 1 d . . . . .
C24 C 0.69032(7) 0.52727(14) 0.34372(5) 0.0195(3) Uani 1 1 d . . . . .
C25 C 0.73328(7) 0.47529(15) 0.33653(5) 0.0235(4) Uani 1 1 d . . . . .
H25 H 0.746924 0.414782 0.350170 0.028 Uiso 1 1 calc R . . . .
C26 C 0.75689(7) 0.50915(17) 0.31001(5) 0.0272(4) Uani 1 1 d . . . . .
C27 C 0.73939(8) 0.59816(17) 0.29020(5) 0.0275(4) Uani 1 1 d . . . . .
H27 H 0.755570 0.621328 0.272186 0.033 Uiso 1 1 calc R . . . .
C28 C 0.69739(7) 0.65304(15) 0.29732(5) 0.0235(4) Uani 1 1 d . . . . .
C29 C 0.67340(7) 0.61837(15) 0.32343(5) 0.0210(3) Uani 1 1 d . . . . .
H29 H 0.644743 0.657369 0.327698 0.025 Uiso 1 1 calc R . . . .
C30 C 0.80061(9) 0.4446(2) 0.30255(7) 0.0420(5) Uani 1 1 d D U . . .
C31 C 0.67859(8) 0.75091(17) 0.27666(6) 0.0303(4) Uani 1 1 d . . . . .
C32 C 0.70029(7) 0.55813(14) 0.41047(5) 0.0194(3) Uani 1 1 d . . . . .
C33 C 0.74619(7) 0.51876(14) 0.43386(5) 0.0214(4) Uani 1 1 d . . . . .
H33 H 0.754337 0.446456 0.432680 0.026 Uiso 1 1 calc R . . . .
C34 C 0.78051(8) 0.58239(15) 0.45894(5) 0.0241(4) Uani 1 1 d . . . . .
C35 C 0.77053(8) 0.68835(16) 0.46150(5) 0.0274(4) Uani 1 1 d . . . . .
H35 H 0.794089 0.731892 0.478302 0.033 Uiso 1 1 calc R . . . .
C36 C 0.72491(8) 0.72871(15) 0.43864(6) 0.0274(4) Uani 1 1 d . . . . .
C37 C 0.69068(8) 0.66519(15) 0.41410(5) 0.0234(4) Uani 1 1 d . . . . .
H37 H 0.659525 0.695295 0.399161 0.028 Uiso 1 1 calc R . . . .
C38 C 0.82920(9) 0.53422(18) 0.48261(6) 0.0321(4) Uani 1 1 d . . . . .
C39 C 0.71230(11) 0.84281(18) 0.44001(7) 0.0448(6) Uani 1 1 d D U . . .
C40 C 0.60179(7) 0.52174(13) 0.36791(5) 0.0185(3) Uani 1 1 d . . . . .
C41 C 0.56859(7) 0.51776(14) 0.33301(5) 0.0211(3) Uani 1 1 d . . . . .
H41 H 0.583592 0.502577 0.313650 0.025 Uiso 1 1 calc R . . . .
C42 C 0.51446(7) 0.53525(15) 0.32575(5) 0.0234(4) Uani 1 1 d . . . . .
C43 C 0.49049(7) 0.55565(15) 0.35317(6) 0.0248(4) Uani 1 1 d . . . . .
H43 H 0.453542 0.567867 0.348247 0.030 Uiso 1 1 calc R . . . .
C44 C 0.52230(8) 0.55758(14) 0.38799(6) 0.0234(4) Uani 1 1 d . . . . .
C45 C 0.57683(7) 0.54199(14) 0.39523(5) 0.0208(3) Uani 1 1 d . . . . .
H45 H 0.597572 0.545212 0.419374 0.025 Uiso 1 1 calc R . . . .
C46 C 0.48279(8) 0.53510(19) 0.28749(6) 0.0330(5) Uani 1 1 d . . . . .
C47 C 0.49871(9) 0.57437(17) 0.41900(6) 0.0319(5) Uani 1 1 d . . . . .
C48 C 0.66594(7) 0.36475(14) 0.38237(5) 0.0184(3) Uani 1 1 d . . . . .
C49 C 0.66398(7) 0.29473(14) 0.35412(5) 0.0207(3) Uani 1 1 d . . . . .
H49 H 0.664364 0.321961 0.331268 0.025 Uiso 1 1 calc R . . . .
C50 C 0.66147(7) 0.18614(15) 0.35836(5) 0.0226(4) Uani 1 1 d . . . . .
C51 C 0.65930(7) 0.14308(14) 0.39088(5) 0.0239(4) Uani 1 1 d . . . . .
H51 H 0.657587 0.069306 0.393851 0.029 Uiso 1 1 calc R . . . .
C52 C 0.65969(7) 0.21118(15) 0.41900(5) 0.0229(4) Uani 1 1 d . . . . .
C53 C 0.66320(7) 0.31931(14) 0.41499(5) 0.0198(3) Uani 1 1 d . . . . .
H53 H 0.663768 0.363570 0.434896 0.024 Uiso 1 1 calc R . . . .
C54 C 0.65997(8) 0.11815(16) 0.32660(6) 0.0299(4) Uani 1 1 d . . . . .
C55 C 0.65645(9) 0.16635(17) 0.45427(6) 0.0345(5) Uani 1 1 d D U . . .
B1 B 0.66450(8) 0.49194(15) 0.37643(5) 0.0182(4) Uani 1 1 d . . . . .
F1 F 0.78409(12) 0.3419(3) 0.29365(13) 0.0585(9) Uani 0.725(8) 1 d D U P A 1
F2 F 0.81840(16) 0.4762(4) 0.27564(11) 0.0648(11) Uani 0.725(8) 1 d D U P A 1
F3 F 0.8412(2) 0.4303(5) 0.33109(15) 0.0525(12) Uani 0.725(8) 1 d D U P A 1
F10 F 0.67545(19) 0.8579(3) 0.45797(17) 0.0725(12) Uani 0.670(9) 1 d D U P B 1
F11 F 0.6942(3) 0.8845(4) 0.40814(11) 0.0880(16) Uani 0.670(9) 1 d D U P B 1
F12 F 0.75376(19) 0.8996(4) 0.45728(17) 0.0727(13) Uani 0.670(9) 1 d D U P B 1
F21 F 0.61703(17) 0.0922(4) 0.44895(11) 0.0607(10) Uani 0.676(8) 1 d D U P C 1
F22 F 0.69825(14) 0.1122(4) 0.47048(11) 0.0689(12) Uani 0.676(8) 1 d D U P C 1
F23 F 0.6442(3) 0.2334(4) 0.47624(14) 0.0672(13) Uani 0.676(8) 1 d D U P C 1
F1A F 0.8322(6) 0.4078(13) 0.3320(4) 0.046(2) Uani 0.275(8) 1 d D U P A 2
F2A F 0.7855(4) 0.3804(10) 0.2783(3) 0.067(2) Uani 0.275(8) 1 d D U P A 2
F3A F 0.8338(3) 0.5172(8) 0.2911(3) 0.0604(19) Uani 0.275(8) 1 d D U P A 2
F10A F 0.6624(3) 0.8648(5) 0.4363(4) 0.0709(19) Uani 0.330(9) 1 d D U P B 2
F11A F 0.7206(4) 0.8921(8) 0.4111(3) 0.0675(19) Uani 0.330(9) 1 d D U P B 2
F12A F 0.7400(5) 0.8931(9) 0.4673(3) 0.076(2) Uani 0.330(9) 1 d D U P B 2
F21A F 0.6264(3) 0.2252(9) 0.4692(3) 0.0481(18) Uani 0.324(8) 1 d D U P C 2
F22A F 0.6417(5) 0.0726(5) 0.4548(2) 0.0631(18) Uani 0.324(8) 1 d D U P C 2
F23A F 0.7034(3) 0.1777(10) 0.47877(17) 0.0680(19) Uani 0.324(8) 1 d D U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 S1 2.3687(5) . ?
Rh1 S2 2.3676(5) . ?
Rh1 C17 2.1452(19) . ?
Rh1 C18 2.1449(19) . ?
Rh1 C20 2.1391(19) . ?
Rh1 C21 2.1382(19) . ?
S1 C1 1.788(2) . ?
S1 C7 1.800(2) . ?
S2 C8 1.790(2) . ?
S2 C14 1.803(2) . ?
Si1 C2 1.896(2) . ?
Si1 C9 1.8990(19) . ?
Si1 C15 1.863(2) . ?
Si1 C16 1.860(2) . ?
C1 C2 1.400(3) . ?
C1 C6 1.391(3) . ?
C2 C3 1.404(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.388(3) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.402(3) . ?
C8 C13 1.392(3) . ?
C9 C10 1.407(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(3) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17 1.0000 . ?
C17 C18 1.392(3) . ?
C17 C22 1.538(3) . ?
C18 H18 1.0000 . ?
C18 C19 1.534(3) . ?
C19 H19 1.0000 . ?
C19 C20 1.537(3) . ?
C19 C23 1.542(3) . ?
C20 H20 1.0000 . ?
C20 C21 1.392(3) . ?
C21 H21 1.0000 . ?
C21 C22 1.534(3) . ?
C22 H22 1.0000 . ?
C22 C23 1.539(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
Cl1 C56 1.732(3) . ?
Cl2 C56 1.745(4) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
Cl3 C57 1.748(3) . ?
Cl4 C57 1.738(3) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
F00L C46 1.328(2) . ?
F4 C31 1.344(2) . ?
F5 C31 1.341(3) . ?
F6 C31 1.331(3) . ?
F7 C38 1.336(3) . ?
F8 C38 1.338(3) . ?
F9 C38 1.336(3) . ?
F13 C46 1.339(3) . ?
F14 C46 1.346(3) . ?
F15 C47 1.328(3) . ?
F16 C47 1.328(3) . ?
F17 C47 1.329(3) . ?
F18 C54 1.335(3) . ?
F19 C54 1.343(3) . ?
F20 C54 1.343(3) . ?
C24 C25 1.395(3) . ?
C24 C29 1.407(3) . ?
C24 B1 1.642(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.394(3) . ?
C26 C27 1.379(3) . ?
C26 C30 1.498(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.390(3) . ?
C28 C29 1.391(3) . ?
C28 C31 1.494(3) . ?
C29 H29 0.9500 . ?
C30 F1 1.394(4) . ?
C30 F2 1.307(4) . ?
C30 F3 1.331(5) . ?
C30 F1A 1.308(11) . ?
C30 F2A 1.230(8) . ?
C30 F3A 1.416(7) . ?
C32 C33 1.397(3) . ?
C32 C37 1.402(3) . ?
C32 B1 1.637(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.397(3) . ?
C34 C35 1.384(3) . ?
C34 C38 1.495(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.388(3) . ?
C36 C37 1.385(3) . ?
C36 C39 1.496(3) . ?
C37 H37 0.9500 . ?
C39 F10 1.340(4) . ?
C39 F11 1.311(5) . ?
C39 F12 1.332(5) . ?
C39 F10A 1.309(7) . ?
C39 F11A 1.347(8) . ?
C39 F12A 1.285(8) . ?
C40 C41 1.402(3) . ?
C40 C45 1.401(2) . ?
C40 B1 1.635(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.391(3) . ?
C42 C43 1.388(3) . ?
C42 C46 1.495(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.386(3) . ?
C44 C45 1.397(3) . ?
C44 C47 1.497(3) . ?
C45 H45 0.9500 . ?
C48 C49 1.400(3) . ?
C48 C53 1.404(3) . ?
C48 B1 1.637(3) . ?
C49 H49 0.9500 . ?
C49 C50 1.398(3) . ?
C50 C51 1.385(3) . ?
C50 C54 1.493(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.388(3) . ?
C52 C53 1.393(3) . ?
C52 C55 1.498(3) . ?
C53 H53 0.9500 . ?
C55 F21 1.376(4) . ?
C55 F22 1.309(4) . ?
C55 F23 1.302(5) . ?
C55 F21A 1.322(8) . ?
C55 F22A 1.258(7) . ?
C55 F23A 1.351(6) . ?

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
S2 Rh1 S1 87.874(16) . . ?
C17 Rh1 S1 99.08(6) . . ?
C17 Rh1 S2 161.75(6) . . ?
C18 Rh1 S1 101.57(6) . . ?
C18 Rh1 S2 156.72(6) . . ?
C18 Rh1 C17 37.87(8) . . ?
C20 Rh1 S1 162.93(6) . . ?
C20 Rh1 S2 98.61(6) . . ?
C20 Rh1 C17 79.58(8) . . ?
C20 Rh1 C18 66.87(8) . . ?
C21 Rh1 S1 155.99(6) . . ?
C21 Rh1 S2 100.62(6) . . ?
C21 Rh1 C17 66.72(8) . . ?
C21 Rh1 C18 79.35(8) . . ?
C21 Rh1 C20 37.98(8) . . ?
C1 S1 Rh1 103.84(6) . . ?
C1 S1 C7 103.27(11) . . ?
C7 S1 Rh1 111.21(8) . . ?
C8 S2 Rh1 98.78(6) . . ?
C8 S2 C14 103.84(10) . . ?
C14 S2 Rh1 111.26(7) . . ?
C2 Si1 C9 118.42(8) . . ?
C15 Si1 C2 107.60(11) . . ?
C15 Si1 C9 106.51(10) . . ?
C16 Si1 C2 106.07(9) . . ?
C16 Si1 C9 107.44(10) . . ?
C16 Si1 C15 110.78(12) . . ?
C2 C1 S1 116.69(15) . . ?
C6 C1 S1 120.64(16) . . ?
C6 C1 C2 122.61(19) . . ?
C1 C2 Si1 126.66(15) . . ?
C1 C2 C3 115.85(19) . . ?
C3 C2 Si1 117.06(15) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.3(2) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0(2) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(2) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 120.3 . . ?
C5 C6 C1 119.5(2) . . ?
C5 C6 H6 120.3 . . ?
S1 C7 H7A 109.5 . . ?
S1 C7 H7B 109.5 . . ?
S1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 S2 116.35(14) . . ?
C13 C8 S2 121.27(15) . . ?
C13 C8 C9 122.30(19) . . ?
C8 C9 Si1 127.38(15) . . ?
C8 C9 C10 115.91(18) . . ?
C10 C9 Si1 116.49(15) . . ?
C9 C10 H10 118.9 . . ?
C11 C10 C9 122.3(2) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.68(19) . . ?
C13 C12 H12 120.2 . . ?
C8 C13 H13 120.1 . . ?
C12 C13 C8 119.83(19) . . ?
C12 C13 H13 120.1 . . ?
S2 C14 H14A 109.5 . . ?
S2 C14 H14B 109.5 . . ?
S2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Rh1 C17 H17 123.2 . . ?
C18 C17 Rh1 71.05(11) . . ?
C18 C17 H17 123.2 . . ?
C18 C17 C22 106.20(18) . . ?
C22 C17 Rh1 96.34(13) . . ?
C22 C17 H17 123.2 . . ?
Rh1 C18 H18 123.2 . . ?
C17 C18 Rh1 71.08(11) . . ?
C17 C18 H18 123.2 . . ?
C17 C18 C19 106.41(17) . . ?
C19 C18 Rh1 96.21(12) . . ?
C19 C18 H18 123.2 . . ?
C18 C19 H19 117.3 . . ?
C18 C19 C20 100.46(15) . . ?
C18 C19 C23 100.80(17) . . ?
C20 C19 H19 117.3 . . ?
C20 C19 C23 100.77(16) . . ?
C23 C19 H19 117.3 . . ?
Rh1 C20 H20 123.3 . . ?
C19 C20 Rh1 96.37(12) . . ?
C19 C20 H20 123.3 . . ?
C21 C20 Rh1 70.98(11) . . ?
C21 C20 C19 105.99(18) . . ?
C21 C20 H20 123.3 . . ?
Rh1 C21 H21 123.0 . . ?
C20 C21 Rh1 71.04(11) . . ?
C20 C21 H21 123.0 . . ?
C20 C21 C22 106.65(18) . . ?
C22 C21 Rh1 96.76(13) . . ?
C22 C21 H21 123.0 . . ?
C17 C22 H22 117.4 . . ?
C17 C22 C23 100.88(17) . . ?
C21 C22 C17 100.09(15) . . ?
C21 C22 H22 117.4 . . ?
C21 C22 C23 100.68(18) . . ?
C23 C22 H22 117.4 . . ?
C19 C23 H23A 112.9 . . ?
C19 C23 H23B 112.9 . . ?
C22 C23 C19 94.07(16) . . ?
C22 C23 H23A 112.9 . . ?
C22 C23 H23B 112.9 . . ?
H23A C23 H23B 110.3 . . ?
Cl1 C56 Cl2 113.36(19) . . ?
Cl1 C56 H56A 108.9 . . ?
Cl1 C56 H56B 108.9 . . ?
Cl2 C56 H56A 108.9 . . ?
Cl2 C56 H56B 108.9 . . ?
H56A C56 H56B 107.7 . . ?
Cl3 C57 H57A 108.8 . . ?
Cl3 C57 H57B 108.8 . . ?
Cl4 C57 Cl3 113.96(18) . . ?
Cl4 C57 H57A 108.8 . . ?
Cl4 C57 H57B 108.8 . . ?
H57A C57 H57B 107.7 . . ?
C25 C24 C29 115.85(16) . . ?
C25 C24 B1 122.47(16) . . ?
C29 C24 B1 121.41(16) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 C24 122.22(18) . . ?
C26 C25 H25 118.9 . . ?
C25 C26 C30 118.5(2) . . ?
C27 C26 C25 120.97(18) . . ?
C27 C26 C30 120.46(19) . . ?
C26 C27 H27 120.9 . . ?
C26 C27 C28 118.13(17) . . ?
C28 C27 H27 120.9 . . ?
C27 C28 C31 118.91(17) . . ?
C29 C28 C27 120.84(18) . . ?
C29 C28 C31 120.24(18) . . ?
C24 C29 H29 119.0 . . ?
C28 C29 C24 121.96(17) . . ?
C28 C29 H29 119.0 . . ?
F1 C30 C26 111.1(2) . . ?
F2 C30 C26 115.5(2) . . ?
F2 C30 F1 104.2(3) . . ?
F2 C30 F3 109.1(3) . . ?
F3 C30 C26 113.8(4) . . ?
F3 C30 F1 101.9(3) . . ?
F1A C30 C26 111.9(9) . . ?
F1A C30 F3A 101.8(7) . . ?
F2A C30 C26 113.6(4) . . ?
F2A C30 F1A 115.5(9) . . ?
F2A C30 F3A 107.5(6) . . ?
F3A C30 C26 105.2(4) . . ?
F4 C31 C28 112.24(19) . . ?
F5 C31 F4 104.91(17) . . ?
F5 C31 C28 112.14(17) . . ?
F6 C31 F4 106.60(17) . . ?
F6 C31 F5 106.77(19) . . ?
F6 C31 C28 113.60(16) . . ?
C33 C32 C37 115.61(17) . . ?
C33 C32 B1 123.50(16) . . ?
C37 C32 B1 120.12(16) . . ?
C32 C33 H33 119.0 . . ?
C32 C33 C34 122.07(17) . . ?
C34 C33 H33 119.0 . . ?
C33 C34 C38 118.60(18) . . ?
C35 C34 C33 121.09(19) . . ?
C35 C34 C38 120.29(18) . . ?
C34 C35 H35 121.2 . . ?
C34 C35 C36 117.65(18) . . ?
C36 C35 H35 121.2 . . ?
C35 C36 C39 120.0(2) . . ?
C37 C36 C35 121.10(18) . . ?
C37 C36 C39 118.9(2) . . ?
C32 C37 H37 118.8 . . ?
C36 C37 C32 122.45(18) . . ?
C36 C37 H37 118.8 . . ?
F7 C38 F8 105.58(19) . . ?
F7 C38 C34 112.50(18) . . ?
F8 C38 C34 112.15(18) . . ?
F9 C38 F7 106.37(18) . . ?
F9 C38 F8 106.35(19) . . ?
F9 C38 C34 113.32(19) . . ?
F10 C39 C36 110.7(2) . . ?
F11 C39 C36 113.0(3) . . ?
F11 C39 F10 107.1(4) . . ?
F11 C39 F12 107.4(4) . . ?
F12 C39 C36 112.8(3) . . ?
F12 C39 F10 105.5(3) . . ?
F10A C39 C36 115.4(4) . . ?
F10A C39 F11A 100.4(6) . . ?
F11A C39 C36 109.9(5) . . ?
F12A C39 C36 115.5(6) . . ?
F12A C39 F10A 108.5(6) . . ?
F12A C39 F11A 105.6(7) . . ?
C41 C40 B1 121.75(15) . . ?
C45 C40 C41 115.77(16) . . ?
C45 C40 B1 122.15(16) . . ?
C40 C41 H41 118.8 . . ?
C42 C41 C40 122.33(17) . . ?
C42 C41 H41 118.8 . . ?
C41 C42 C46 118.38(18) . . ?
C43 C42 C41 121.04(18) . . ?
C43 C42 C46 120.55(18) . . ?
C42 C43 H43 121.1 . . ?
C44 C43 C42 117.72(17) . . ?
C44 C43 H43 121.1 . . ?
C43 C44 C45 121.24(18) . . ?
C43 C44 C47 120.54(18) . . ?
C45 C44 C47 118.21(19) . . ?
C40 C45 H45 119.1 . . ?
C44 C45 C40 121.87(18) . . ?
C44 C45 H45 119.1 . . ?
F00L C46 F13 106.9(2) . . ?
F00L C46 F14 106.48(19) . . ?
F00L C46 C42 113.39(18) . . ?
F13 C46 F14 105.28(18) . . ?
F13 C46 C42 112.63(18) . . ?
F14 C46 C42 111.63(19) . . ?
F15 C47 F17 105.5(2) . . ?
F15 C47 C44 112.55(17) . . ?
F16 C47 F15 105.6(2) . . ?
F16 C47 F17 106.50(18) . . ?
F16 C47 C44 113.2(2) . . ?
F17 C47 C44 112.86(17) . . ?
C49 C48 C53 115.78(16) . . ?
C49 C48 B1 121.87(16) . . ?
C53 C48 B1 121.98(16) . . ?
C48 C49 H49 118.9 . . ?
C50 C49 C48 122.28(17) . . ?
C50 C49 H49 118.9 . . ?
C49 C50 C54 118.10(18) . . ?
C51 C50 C49 120.87(17) . . ?
C51 C50 C54 121.01(18) . . ?
C50 C51 H51 121.1 . . ?
C50 C51 C52 117.84(17) . . ?
C52 C51 H51 121.1 . . ?
C51 C52 C53 121.31(18) . . ?
C51 C52 C55 118.73(18) . . ?
C53 C52 C55 119.96(18) . . ?
C48 C53 H53 119.1 . . ?
C52 C53 C48 121.88(17) . . ?
C52 C53 H53 119.1 . . ?
F18 C54 F19 106.99(17) . . ?
F18 C54 F20 106.10(17) . . ?
F18 C54 C50 113.27(18) . . ?
F19 C54 C50 112.36(17) . . ?
F20 C54 F19 105.32(18) . . ?
F20 C54 C50 112.25(17) . . ?
F21 C55 C52 110.1(2) . . ?
F22 C55 C52 113.5(2) . . ?
F22 C55 F21 102.2(3) . . ?
F23 C55 C52 115.0(3) . . ?
F23 C55 F21 104.2(3) . . ?
F23 C55 F22 110.6(3) . . ?
F21A C55 C52 111.1(5) . . ?
F21A C55 F23A 99.8(6) . . ?
F22A C55 C52 117.9(4) . . ?
F22A C55 F21A 108.2(7) . . ?
F22A C55 F23A 108.5(5) . . ?
F23A C55 C52 109.8(3) . . ?
C32 B1 C24 102.18(14) . . ?
C32 B1 C48 114.25(15) . . ?
C40 B1 C24 111.98(14) . . ?
C40 B1 C32 112.26(14) . . ?
C40 B1 C48 104.11(14) . . ?
C48 B1 C24 112.36(14) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 S1 C1 C2 -95.63(15) . . . . ?
Rh1 S1 C1 C6 81.52(17) . . . . ?
Rh1 S2 C8 C9 -99.61(14) . . . . ?
Rh1 S2 C8 C13 77.05(16) . . . . ?
Rh1 C17 C18 C19 91.04(14) . . . . ?
Rh1 C17 C22 C21 -2.54(16) . . . . ?
Rh1 C17 C22 C23 -105.59(15) . . . . ?
Rh1 C18 C19 C20 2.64(16) . . . . ?
Rh1 C18 C19 C23 105.85(14) . . . . ?
Rh1 C20 C21 C22 91.56(14) . . . . ?
Rh1 C21 C22 C17 2.55(16) . . . . ?
Rh1 C21 C22 C23 105.77(14) . . . . ?
S1 C1 C2 Si1 -11.7(2) . . . . ?
S1 C1 C2 C3 176.12(15) . . . . ?
S1 C1 C6 C5 -177.59(18) . . . . ?
S2 C8 C9 Si1 -8.7(2) . . . . ?
S2 C8 C9 C10 176.86(15) . . . . ?
S2 C8 C13 C12 -177.24(16) . . . . ?
Si1 C2 C3 C4 -171.27(19) . . . . ?
Si1 C9 C10 C11 -174.85(18) . . . . ?
C1 C2 C3 C4 1.7(3) . . . . ?
C2 Si1 C9 C8 36.3(2) . . . . ?
C2 Si1 C9 C10 -149.29(15) . . . . ?
C2 C1 C6 C5 -0.6(3) . . . . ?
C2 C3 C4 C5 -0.7(4) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C4 C5 C6 C1 1.6(4) . . . . ?
C6 C1 C2 Si1 171.17(16) . . . . ?
C6 C1 C2 C3 -1.0(3) . . . . ?
C7 S1 C1 C2 148.20(16) . . . . ?
C7 S1 C1 C6 -34.6(2) . . . . ?
C8 C9 C10 C11 0.2(3) . . . . ?
C9 Si1 C2 C1 45.2(2) . . . . ?
C9 Si1 C2 C3 -142.75(16) . . . . ?
C9 C8 C13 C12 -0.8(3) . . . . ?
C9 C10 C11 C12 -0.1(3) . . . . ?
C10 C11 C12 C13 -0.4(3) . . . . ?
C11 C12 C13 C8 0.9(3) . . . . ?
C13 C8 C9 Si1 174.67(15) . . . . ?
C13 C8 C9 C10 0.2(3) . . . . ?
C14 S2 C8 C9 145.81(15) . . . . ?
C14 S2 C8 C13 -37.53(18) . . . . ?
C15 Si1 C2 C1 165.90(18) . . . . ?
C15 Si1 C2 C3 -22.04(19) . . . . ?
C15 Si1 C9 C8 -85.0(2) . . . . ?
C15 Si1 C9 C10 89.45(18) . . . . ?
C16 Si1 C2 C1 -75.50(19) . . . . ?
C16 Si1 C2 C3 96.56(18) . . . . ?
C16 Si1 C9 C8 156.29(17) . . . . ?
C16 Si1 C9 C10 -29.30(18) . . . . ?
C17 C18 C19 C20 -69.42(19) . . . . ?
C17 C18 C19 C23 33.8(2) . . . . ?
C17 C22 C23 C19 51.25(19) . . . . ?
C18 C17 C22 C21 69.53(19) . . . . ?
C18 C17 C22 C23 -33.5(2) . . . . ?
C18 C19 C20 Rh1 -2.65(16) . . . . ?
C18 C19 C20 C21 69.34(19) . . . . ?
C18 C19 C23 C22 -51.37(18) . . . . ?
C19 C20 C21 Rh1 -91.33(13) . . . . ?
C19 C20 C21 C22 0.2(2) . . . . ?
C20 C19 C23 C22 51.60(18) . . . . ?
C20 C21 C22 C17 -69.63(19) . . . . ?
C20 C21 C22 C23 33.6(2) . . . . ?
C21 C22 C23 C19 -51.34(18) . . . . ?
C22 C17 C18 Rh1 -91.25(14) . . . . ?
C22 C17 C18 C19 -0.2(2) . . . . ?
C23 C19 C20 Rh1 -105.89(14) . . . . ?
C23 C19 C20 C21 -33.9(2) . . . . ?
C24 C25 C26 C27 1.8(3) . . . . ?
C24 C25 C26 C30 -176.13(19) . . . . ?
C25 C24 C29 C28 1.3(3) . . . . ?
C25 C24 B1 C32 87.7(2) . . . . ?
C25 C24 B1 C40 -151.97(17) . . . . ?
C25 C24 B1 C48 -35.2(2) . . . . ?
C25 C26 C27 C28 -0.2(3) . . . . ?
C25 C26 C30 F1 56.7(3) . . . . ?
C25 C26 C30 F2 175.1(3) . . . . ?
C25 C26 C30 F3 -57.6(4) . . . . ?
C25 C26 C30 F1A -39.8(8) . . . . ?
C25 C26 C30 F2A 93.2(8) . . . . ?
C25 C26 C30 F3A -149.5(6) . . . . ?
C26 C27 C28 C29 -0.7(3) . . . . ?
C26 C27 C28 C31 178.74(18) . . . . ?
C27 C26 C30 F1 -121.2(3) . . . . ?
C27 C26 C30 F2 -2.8(4) . . . . ?
C27 C26 C30 F3 124.5(4) . . . . ?
C27 C26 C30 F1A 142.3(7) . . . . ?
C27 C26 C30 F2A -84.7(8) . . . . ?
C27 C26 C30 F3A 32.6(6) . . . . ?
C27 C28 C29 C24 0.1(3) . . . . ?
C27 C28 C31 F4 44.9(3) . . . . ?
C27 C28 C31 F5 -72.9(3) . . . . ?
C27 C28 C31 F6 165.91(18) . . . . ?
C29 C24 C25 C26 -2.2(3) . . . . ?
C29 C24 B1 C32 -86.11(19) . . . . ?
C29 C24 B1 C40 34.2(2) . . . . ?
C29 C24 B1 C48 150.99(16) . . . . ?
C29 C28 C31 F4 -135.70(19) . . . . ?
C29 C28 C31 F5 106.5(2) . . . . ?
C29 C28 C31 F6 -14.7(3) . . . . ?
C30 C26 C27 C28 177.6(2) . . . . ?
C31 C28 C29 C24 -179.30(18) . . . . ?
C32 C33 C34 C35 -0.5(3) . . . . ?
C32 C33 C34 C38 -179.12(18) . . . . ?
C33 C32 C37 C36 1.4(3) . . . . ?
C33 C32 B1 C24 -91.52(19) . . . . ?
C33 C32 B1 C40 148.34(17) . . . . ?
C33 C32 B1 C48 30.1(2) . . . . ?
C33 C34 C35 C36 0.9(3) . . . . ?
C33 C34 C38 F7 -52.1(3) . . . . ?
C33 C34 C38 F8 66.7(3) . . . . ?
C33 C34 C38 F9 -172.85(18) . . . . ?
C34 C35 C36 C37 -0.2(3) . . . . ?
C34 C35 C36 C39 -179.5(2) . . . . ?
C35 C34 C38 F7 129.2(2) . . . . ?
C35 C34 C38 F8 -111.9(2) . . . . ?
C35 C34 C38 F9 8.5(3) . . . . ?
C35 C36 C37 C32 -1.0(3) . . . . ?
C35 C36 C39 F10 -101.8(4) . . . . ?
C35 C36 C39 F11 138.1(5) . . . . ?
C35 C36 C39 F12 16.1(4) . . . . ?
C35 C36 C39 F10A -140.8(7) . . . . ?
C35 C36 C39 F11A 106.6(6) . . . . ?
C35 C36 C39 F12A -12.7(8) . . . . ?
C37 C32 C33 C34 -0.7(3) . . . . ?
C37 C32 B1 C24 77.99(19) . . . . ?
C37 C32 B1 C40 -42.1(2) . . . . ?
C37 C32 B1 C48 -160.40(16) . . . . ?
C37 C36 C39 F10 78.8(4) . . . . ?
C37 C36 C39 F11 -41.2(5) . . . . ?
C37 C36 C39 F12 -163.3(4) . . . . ?
C37 C36 C39 F10A 39.8(7) . . . . ?
C37 C36 C39 F11A -72.8(6) . . . . ?
C37 C36 C39 F12A 167.9(7) . . . . ?
C38 C34 C35 C36 179.53(19) . . . . ?
C39 C36 C37 C32 178.3(2) . . . . ?
C40 C41 C42 C43 -1.3(3) . . . . ?
C40 C41 C42 C46 176.71(18) . . . . ?
C41 C40 C45 C44 -0.2(3) . . . . ?
C41 C40 B1 C24 34.7(2) . . . . ?
C41 C40 B1 C32 148.94(16) . . . . ?
C41 C40 B1 C48 -86.96(19) . . . . ?
C41 C42 C43 C44 -0.2(3) . . . . ?
C41 C42 C46 F00L 163.3(2) . . . . ?
C41 C42 C46 F13 41.8(3) . . . . ?
C41 C42 C46 F14 -76.4(2) . . . . ?
C42 C43 C44 C45 1.5(3) . . . . ?
C42 C43 C44 C47 -177.27(18) . . . . ?
C43 C42 C46 F00L -18.6(3) . . . . ?
C43 C42 C46 F13 -140.18(19) . . . . ?
C43 C42 C46 F14 101.6(2) . . . . ?
C43 C44 C45 C40 -1.2(3) . . . . ?
C43 C44 C47 F15 122.2(2) . . . . ?
C43 C44 C47 F16 2.6(3) . . . . ?
C43 C44 C47 F17 -118.5(2) . . . . ?
C45 C40 C41 C42 1.5(3) . . . . ?
C45 C40 B1 C24 -152.16(16) . . . . ?
C45 C40 B1 C32 -37.9(2) . . . . ?
C45 C40 B1 C48 86.21(19) . . . . ?
C45 C44 C47 F15 -56.6(3) . . . . ?
C45 C44 C47 F16 -176.22(19) . . . . ?
C45 C44 C47 F17 62.7(2) . . . . ?
C46 C42 C43 C44 -178.20(18) . . . . ?
C47 C44 C45 C40 177.52(17) . . . . ?
C48 C49 C50 C51 1.9(3) . . . . ?
C48 C49 C50 C54 -179.50(17) . . . . ?
C49 C48 C53 C52 1.1(3) . . . . ?
C49 C48 B1 C24 -29.3(2) . . . . ?
C49 C48 B1 C32 -145.08(16) . . . . ?
C49 C48 B1 C40 92.13(18) . . . . ?
C49 C50 C51 C52 0.0(3) . . . . ?
C49 C50 C54 F18 166.81(18) . . . . ?
C49 C50 C54 F19 -71.8(2) . . . . ?
C49 C50 C54 F20 46.7(2) . . . . ?
C50 C51 C52 C53 -1.2(3) . . . . ?
C50 C51 C52 C55 178.99(18) . . . . ?
C51 C50 C54 F18 -14.6(3) . . . . ?
C51 C50 C54 F19 106.8(2) . . . . ?
C51 C50 C54 F20 -134.70(19) . . . . ?
C51 C52 C53 C48 0.7(3) . . . . ?
C51 C52 C55 F21 -46.7(3) . . . . ?
C51 C52 C55 F22 67.2(4) . . . . ?
C51 C52 C55 F23 -164.0(4) . . . . ?
C51 C52 C55 F21A -141.2(5) . . . . ?
C51 C52 C55 F22A -15.7(7) . . . . ?
C51 C52 C55 F23A 109.3(6) . . . . ?
C53 C48 C49 C50 -2.3(3) . . . . ?
C53 C48 B1 C24 158.05(16) . . . . ?
C53 C48 B1 C32 42.2(2) . . . . ?
C53 C48 B1 C40 -80.57(19) . . . . ?
C53 C52 C55 F21 133.5(3) . . . . ?
C53 C52 C55 F22 -112.6(4) . . . . ?
C53 C52 C55 F23 16.2(4) . . . . ?
C53 C52 C55 F21A 39.0(5) . . . . ?
C53 C52 C55 F22A 164.6(6) . . . . ?
C53 C52 C55 F23A -70.5(6) . . . . ?
C54 C50 C51 C52 -178.60(17) . . . . ?
C55 C52 C53 C48 -179.53(17) . . . . ?
B1 C24 C25 C26 -176.37(17) . . . . ?
B1 C24 C29 C28 175.51(17) . . . . ?
B1 C32 C33 C34 169.28(17) . . . . ?
B1 C32 C37 C36 -168.88(17) . . . . ?
B1 C40 C41 C42 175.07(17) . . . . ?
B1 C40 C45 C44 -173.80(16) . . . . ?
B1 C48 C49 C50 -175.45(16) . . . . ?
B1 C48 C53 C52 174.18(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.722
_oxdiff_exptl_absorpt_empirical_full_min 0.664
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_164amm18
_database_code_depnum_ccdc_archive 'CCDC 1969935'
loop_
_audit_author_name
_audit_author_address
'Antonio Martinez-Martinez'
;University of Huelva
Spain
;
_audit_update_record             
;
2019-12-04 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_audit_creation_date             2019-12-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H32 Rh S2 Si, C32 H12 B F24, C H2 Cl2'
_chemical_formula_sum            'C57 H46 B Cl2 F24 Rh S2 Si'
_chemical_formula_weight         1463.77
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C54 H66 Rh1 B1 F24 Si S2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.4418(3)
_cell_length_b                   12.9564(3)
_cell_length_c                   20.2172(6)
_cell_angle_alpha                99.872(2)
_cell_angle_beta                 101.171(2)
_cell_angle_gamma                97.292(2)
_cell_volume                     3106.41(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17089
_cell_measurement_temperature    150.00(16)
_cell_measurement_theta_max      76.1320
_cell_measurement_theta_min      3.7540
_shelx_estimated_absorpt_T_max   0.699
_shelx_estimated_absorpt_T_min   0.552
_exptl_absorpt_coefficient_mu    4.818
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.34b (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1468
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37489
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.274
_diffrn_reflns_theta_min         3.511
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(16)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -111.00 -20.00   1.00    5.00    --  -42.66 -38.00 120.00   91
  2  ω    -21.00  14.00   1.00    5.00    --  -42.66  38.00 120.00   35
  3  ω   -113.00 -19.00   1.00    5.00    --  -42.66 -57.00-120.00   94
  4  ω    -67.00  27.00   1.00    5.00    --  -42.66  57.00  30.00   94
  5  ω     52.00  79.00   1.00    5.00    --   42.66 -99.00  30.00   27
  6  ω     75.00 123.00   1.00    5.00    --   42.66 178.00 -90.00   48
  7  ω     42.00 113.00   1.00   20.00    --  111.00-125.00   0.00   71
  8  ω    121.00 178.00   1.00   20.00    --  111.00  61.00  30.00   57
  9  ω    115.00 141.00   1.00   20.00    --  111.00  45.00 150.00   26
 10  ω     87.00 150.00   1.00   20.00    --  111.00  77.00 -90.00   63
 11  ω     60.00  91.00   1.00   20.00    --  111.00 -30.00 120.00   31
 12  ω     44.00  96.00   1.00   20.00    --  111.00-125.00-180.00   52
 13  ω     82.00 121.00   1.00   20.00    --  111.00-125.00  30.00   39
 14  ω     65.00  98.00   1.00   20.00    --  111.00 -45.00-180.00   33
 15  ω     75.00 112.00   1.00   20.00    --  111.00-125.00-150.00   37
 16  ω    111.00 138.00   1.00   20.00    --  111.00 -77.00-180.00   27
 17  ω     46.00 120.00   1.00   20.00    --  111.00-125.00 150.00   74
 18  ω     99.00 169.00   1.00   20.00    --  111.00 125.00 150.00   70
 19  ω     61.00 105.00   1.00   20.00    --  111.00 -95.00   0.00   44
 20  ω    127.00 178.00   1.00   20.00    --  111.00 125.00-180.00   51
 21  ω     79.00 105.00   1.00   20.00    --  111.00 -95.00-120.00   26
 22  ω     87.00 174.00   1.00   20.00    --  111.00  45.00 -30.00   87
 23  ω     78.00 121.00   1.00   20.00    --  111.00-125.00 -90.00   43
 24  ω     66.00  92.00   1.00   20.00    --  111.00  15.00 -60.00   26
 25  ω    128.00 176.00   1.00   20.00    --  111.00  15.00 -60.00   48
 26  ω     40.00  94.00   1.00   20.00    --  111.00 -45.00 120.00   54
 27  ω     75.00 100.00   1.00   20.00    --  111.00 -95.00-180.00   25
 28  ω     81.00 163.00   1.00   20.00    --  111.00  77.00-150.00   82
 29  ω     83.00 133.00   1.00   20.00    --  111.00  61.00   0.00   50
 30  ω     59.00  90.00   1.00   20.00    --  111.00 -30.00  30.00   31
 31  ω     51.00  87.00   1.00   20.00    --  111.00 -45.00   0.00   36
 32  ω     30.00  56.00   1.00   20.00    --  111.00 -95.00   0.00   26
 33  ω     53.00  78.00   1.00   20.00    --  111.00 -77.00-180.00   25
 34  ω     94.00 177.00   1.00   20.00    --  111.00 125.00-150.00   83
 35  ω      2.00  32.00   1.00    5.00    --   38.00  90.00  58.65   30
 36  ω      7.00  33.00   1.00    5.00    --   42.00  88.00 -24.47   26
 37  ω      8.00  33.00   1.00    5.00    --   42.00  86.00-132.37   25
 38  ω   -113.00 -21.00   1.00    5.00    --  -42.66 -38.00 -30.00   92
 39  ω    -42.00 -16.00   1.00    5.00    --  -42.66 -57.00  30.00   26
 40  ω    -73.00 -60.00   1.00    5.00    --  -42.66  77.00 -90.00   13
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0469697000
_diffrn_orient_matrix_UB_12      0.0551836000
_diffrn_orient_matrix_UB_13      0.0758180000
_diffrn_orient_matrix_UB_21      0.0241018000
_diffrn_orient_matrix_UB_22      -0.1069671000
_diffrn_orient_matrix_UB_23      0.0177296000
_diffrn_orient_matrix_UB_31      0.1165857000
_diffrn_orient_matrix_UB_32      0.0221412000
_diffrn_orient_matrix_UB_33      -0.0150147000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11306
_reflns_number_total             12840
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.051
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1066
_refine_ls_number_reflns         12840
_refine_ls_number_restraints     1258
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0681P)²+2.9596P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1265
_refine_special_details          ?
_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. Restrained distances
 F11-F10 \\sim F11-F12 \\sim F10-F12 \\sim F10A-F11A \\sim F10A-F12A \\sim
F11A-F12A
 with sigma of 0.04
 C40-F11 \\sim C40-F10 \\sim C40-F12 \\sim C40-F10A \\sim C40-F11A \\sim
C40-F12A
 with sigma of 0.02
 F16-F18 \\sim F16-F17 \\sim F18-F17 \\sim F18A-F17A \\sim F18A-F16A \\sim
F17A-F16A
 with sigma of 0.04
 C48-F16 \\sim C48-F18 \\sim C48-F17 \\sim C48-F18A \\sim C48-F17A \\sim
C48-F16A
 with sigma of 0.02
 F23-F24 \\sim F23-F22 \\sim F24-F22 \\sim F24A-F23A \\sim F24A-F22A \\sim
F23A-F22A
 with sigma of 0.04
 C56-F23 \\sim C56-F24 \\sim C56-F22 \\sim C56-F24A \\sim C56-F23A \\sim
C56-F22A
 with sigma of 0.02
 F15-F14 \\sim F15-F13 \\sim F14-F13 \\sim F14A-F13A \\sim F14A-F15A \\sim
F13A-F15A
 with sigma of 0.04
 C47-F15 \\sim C47-F14 \\sim C47-F13 \\sim C47-F14A \\sim C47-F13A \\sim
C47-F15A
 with sigma of 0.02
 F6-F5 \\sim F6-F4 \\sim F5-F4 \\sim F4A-F5A \\sim F4A-F6A \\sim F5A-F6A
 with sigma of 0.04
 C32-F6 \\sim C32-F5 \\sim C32-F4 \\sim C32-F4A \\sim C32-F5A \\sim C32-F6A
 with sigma of 0.02
 Si1-C9A \\sim Si1-C9
 with sigma of 0.02
 S2A-C8A \\sim S2-C8
 with sigma of 0.02
 S2A-C14A \\sim S2-C14
 with sigma of 0.02
 F19-F20 \\sim F19-F21 \\sim F20-F21 \\sim F21A-F20A \\sim F21A-F19A \\sim
F20A-F19A
 with sigma of 0.04
 C55-F19 \\sim C55-F20 \\sim C55-F21 \\sim C55-F21A \\sim C55-F20A \\sim
C55-F19A
 with sigma of 0.02
 Cl1-C57 \\sim Cl2A-C57A \\sim Cl1A-C57A \\sim Cl2-C57
 with sigma of 0.02
 Cl1-Cl2 \\sim Cl1A-Cl2A
 with sigma of 0.04
3. Rigid bond restraints
 Cl1A, Cl2A, C57A, H57A, H57B, Cl1, Cl2, C57, H57C, H57D
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
S2 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim
S2A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
H44 \\sim C48 \\sim F16 \\sim F17 \\sim F18 \\sim F16A \\sim F17A \\sim F18A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
C32 \\sim F4 \\sim F5 \\sim F6 \\sim F4A \\sim F5A \\sim F6A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C56 \\sim F22 \\sim F23 \\sim F24 \\sim F22A \\sim F23A \\sim F24A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C55 \\sim F19 \\sim F20 \\sim F21 \\sim F19A \\sim F20A \\sim F21A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C40 \\sim F10 \\sim F11 \\sim F12 \\sim F10A \\sim F11A \\sim F12A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C48 \\sim F16 \\sim F17 \\sim F18 \\sim F16A \\sim F17A \\sim F18A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C47 \\sim F13 \\sim F14 \\sim F15 \\sim F13A \\sim F14A \\sim F15A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
Cl1 \\sim Cl2 \\sim C57: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.01
Cl1A \\sim Cl2A \\sim C57A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.01
Uanis(Cl2) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(Cl1) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(Cl1) \\sim Ueq, Uanis(Cl2) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(Cl1A)
\\sim Ueq, Uanis(Cl2A) \\sim Ueq, Uanis(C57A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C40, F10, F11, F12, F10A, F11A, F12A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C48, F16, F17, F18, F16A, F17A, F18A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C56, F22, F23, F24, F22A, F23A, F24A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C47, F13, F14, F15, F13A, F14A, F15A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C32, F4, F5, F6, F4A, F5A, F6A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 S2, C8, C9, C10, C11, C12, C13, C14, S2A, C8A, C9A, C10A, C11A, C12A, C13A,
 C14A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C55, F19, F20, F21, F19A, F20A, F21A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl1, Cl2, C57
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl1A, Cl2A, C57A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(1)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(1)
 Sof(F16A)=Sof(F17A)=Sof(F18A)=1-FVAR(2)
 Sof(F16)=Sof(F17)=Sof(F18)=FVAR(2)
 Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(3)
 Sof(F22)=Sof(F23)=Sof(F24)=FVAR(3)
 Sof(F13A)=Sof(F14A)=Sof(F15A)=1-FVAR(4)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(4)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(5)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(5)
 Sof(S2A)=Sof(C8A)=Sof(C9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=
 Sof(H12A)=Sof(C13A)=Sof(H13A)=Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=1-FVAR(6)
 Sof(S2)=Sof(C8)=Sof(C9)=Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=
 Sof(C13)=Sof(H13)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=FVAR(6)
 Sof(F19A)=Sof(F20A)=Sof(F21A)=1-FVAR(7)
 Sof(F19)=Sof(F20)=Sof(F21)=FVAR(7)
 Fixed Sof: Cl1A(0.25) Cl2A(0.25) C57A(0.25) H57A(0.25) H57B(0.25) Cl1(0.75)
 Cl2(0.75) C57(0.75) H57C(0.75) H57D(0.75)
7.a Ternary CH refined with riding coordinates:
 C17(H17), C18(H18), C21(H21), C22(H22)
7.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C20(H20A,H20B), C23(H23A,H23B), C24(H24A,H24B), C57A(H57A,
 H57B), C57(H57C,H57D)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 C10A(H10A), C11A(H11A), C12A(H12A), C13A(H13A), C26(H26), C28(H28), C30(H30),
 C34(H34), C36(H36), C38(H38), C42(H42), C44(H44), C46(H46), C50(H50), C52(H52),
  C54(H54)
7.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C14(H14A,H14B,
 H14C), C14A(H14D,H14E,H14F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.12984(2) -0.43606(2) 0.72853(2) 0.03274(8) Uani 1 1 d . . . . .
S1 S -0.10300(5) -0.24695(5) 0.76576(4) 0.03125(14) Uani 1 1 d . . . . .
Si1 Si -0.23572(8) -0.19773(7) 0.90356(5) 0.04295(19) Uani 1 1 d D . . . .
C1 C -0.2365(2) -0.2043(2) 0.75437(16) 0.0339(6) Uani 1 1 d . . . . .
C2 C -0.2856(2) -0.1853(2) 0.81114(17) 0.0374(6) Uani 1 1 d . . . . .
C3 C -0.3879(3) -0.1474(3) 0.7988(2) 0.0487(8) Uani 1 1 d . . . . .
H3 H -0.424594 -0.133444 0.835646 0.058 Uiso 1 1 calc R . . . .
C4 C -0.4364(3) -0.1300(3) 0.7352(2) 0.0540(9) Uani 1 1 d . . . . .
H4 H -0.504500 -0.103205 0.729172 0.065 Uiso 1 1 calc R . . . .
C5 C -0.3865(3) -0.1512(3) 0.6804(2) 0.0529(9) Uani 1 1 d . . . . .
H5 H -0.420107 -0.139449 0.636591 0.063 Uiso 1 1 calc R . . . .
C6 C -0.2862(3) -0.1901(3) 0.68958(18) 0.0432(7) Uani 1 1 d . . . . .
H6 H -0.252204 -0.206688 0.651764 0.052 Uiso 1 1 calc R . . . .
C7 C -0.0347(3) -0.1724(2) 0.71288(18) 0.0394(6) Uani 1 1 d . . . . .
H7A H 0.044369 -0.177990 0.721751 0.059 Uiso 1 1 calc GR . . . .
H7B H -0.043079 -0.097626 0.724167 0.059 Uiso 1 1 calc GR . . . .
H7C H -0.068668 -0.201352 0.664183 0.059 Uiso 1 1 calc GR . . . .
C15 C -0.1910(5) -0.0599(4) 0.9562(2) 0.0728(13) Uani 1 1 d . . . . .
H15A H -0.123310 -0.026939 0.944877 0.109 Uiso 1 1 calc GR . . . .
H15B H -0.176239 -0.062691 1.005166 0.109 Uiso 1 1 calc GR . . . .
H15C H -0.250058 -0.017849 0.945977 0.109 Uiso 1 1 calc GR . . . .
C16 C -0.3555(4) -0.2651(4) 0.9323(3) 0.0714(13) Uani 1 1 d . . . . .
H16A H -0.412544 -0.219432 0.933063 0.107 Uiso 1 1 calc GR . . . .
H16B H -0.329834 -0.278281 0.978611 0.107 Uiso 1 1 calc GR . . . .
H16C H -0.386979 -0.332741 0.900345 0.107 Uiso 1 1 calc GR . . . .
C17 C 0.0162(3) -0.4259(2) 0.68715(18) 0.0404(7) Uani 1 1 d . . . . .
H17 H 0.063063 -0.353807 0.700725 0.048 Uiso 1 1 calc R . . . .
C18 C -0.0732(3) -0.4343(3) 0.63353(16) 0.0440(7) Uani 1 1 d . . . . .
H18 H -0.079237 -0.367312 0.615807 0.053 Uiso 1 1 calc R . . . .
C19 C -0.1190(4) -0.5350(3) 0.57934(19) 0.0616(11) Uani 1 1 d . . . . .
H19A H -0.147482 -0.515673 0.534676 0.074 Uiso 1 1 calc R . . . .
H19B H -0.058137 -0.575897 0.573825 0.074 Uiso 1 1 calc R . . . .
C20 C -0.2104(4) -0.6034(4) 0.5978(3) 0.0747(14) Uani 1 1 d . . . . .
H20A H -0.212122 -0.678277 0.575978 0.090 Uiso 1 1 calc R . . . .
H20B H -0.282166 -0.583019 0.578551 0.090 Uiso 1 1 calc R . . . .
C21 C -0.1991(3) -0.5959(3) 0.6753(2) 0.0591(10) Uani 1 1 d . . . . .
H21 H -0.268538 -0.625489 0.688216 0.071 Uiso 1 1 calc R . . . .
C22 C -0.1028(4) -0.5986(2) 0.7216(2) 0.0527(9) Uani 1 1 d . . . . .
H22 H -0.115214 -0.629669 0.762105 0.063 Uiso 1 1 calc R . . . .
C23 C 0.0045(4) -0.6167(3) 0.7004(2) 0.0571(9) Uani 1 1 d . . . . .
H23A H 0.044095 -0.658402 0.730973 0.069 Uiso 1 1 calc R . . . .
H23B H -0.012841 -0.658834 0.652800 0.069 Uiso 1 1 calc R . . . .
C24 C 0.0793(3) -0.5140(3) 0.7038(2) 0.0551(9) Uani 1 1 d . . . . .
H24A H 0.128219 -0.526535 0.671052 0.066 Uiso 1 1 calc R . . . .
H24B H 0.127194 -0.490810 0.750647 0.066 Uiso 1 1 calc R . . . .
S2 S -0.2432(12) -0.4404(11) 0.8084(7) 0.0454(17) Uani 0.406(14) 1 d D U P A 1
C8 C -0.1332(14) -0.3922(14) 0.8826(9) 0.042(2) Uani 0.406(14) 1 d D U P A 1
C9 C -0.123(2) -0.283(2) 0.9161(18) 0.045(2) Uani 0.406(14) 1 d D U P A 1
C10 C -0.0248(18) -0.2475(13) 0.9698(11) 0.051(2) Uani 0.406(14) 1 d . U P A 1
H10 H -0.013074 -0.176657 0.995129 0.062 Uiso 0.406(14) 1 calc R . P A 1
C11 C 0.0543(13) -0.3115(14) 0.9868(8) 0.056(2) Uani 0.406(14) 1 d . U P A 1
H11 H 0.118679 -0.283590 1.022294 0.067 Uiso 0.406(14) 1 calc R . P A 1
C12 C 0.0390(13) -0.4129(13) 0.9528(7) 0.055(2) Uani 0.406(14) 1 d . U P A 1
H12 H 0.092484 -0.456437 0.965026 0.065 Uiso 0.406(14) 1 calc R . P A 1
C13 C -0.0555(13) -0.4556(13) 0.8991(8) 0.050(2) Uani 0.406(14) 1 d . U P A 1
H13 H -0.065154 -0.526927 0.874886 0.061 Uiso 0.406(14) 1 calc R . P A 1
C14 C -0.3029(13) -0.5706(10) 0.8195(8) 0.052(2) Uani 0.406(14) 1 d D U P A 1
H14A H -0.364005 -0.603077 0.780057 0.079 Uiso 0.406(14) 1 calc GR . P A 1
H14B H -0.331150 -0.562700 0.861828 0.079 Uiso 0.406(14) 1 calc GR . P A 1
H14C H -0.245657 -0.616105 0.822703 0.079 Uiso 0.406(14) 1 calc GR . P A 1
S2A S -0.2269(8) -0.4353(7) 0.8207(5) 0.0423(10) Uani 0.594(14) 1 d D U P A 2
C8A C -0.1143(10) -0.3723(10) 0.8923(6) 0.0431(17) Uani 0.594(14) 1 d D U P A 2
C9A C -0.1151(14) -0.2702(14) 0.9226(11) 0.043(2) Uani 0.594(14) 1 d D U P A 2
C10A C -0.0220(11) -0.2155(9) 0.9714(7) 0.0482(18) Uani 0.594(14) 1 d . U P A 2
H10A H -0.019660 -0.143305 0.991759 0.058 Uiso 0.594(14) 1 calc R . P A 2
C11A C 0.0679(8) -0.2659(9) 0.9908(4) 0.0526(17) Uani 0.594(14) 1 d . U P A 2
H11A H 0.130924 -0.227977 1.024635 0.063 Uiso 0.594(14) 1 calc R . P A 2
C12A C 0.0664(8) -0.3687(10) 0.9618(5) 0.0551(18) Uani 0.594(14) 1 d . U P A 2
H12A H 0.127683 -0.402654 0.976183 0.066 Uiso 0.594(14) 1 calc R . P A 2
C13A C -0.0231(9) -0.4243(8) 0.9117(5) 0.0494(17) Uani 0.594(14) 1 d . U P A 2
H13A H -0.023682 -0.495879 0.890651 0.059 Uiso 0.594(14) 1 calc R . P A 2
C14A C -0.2665(9) -0.5616(7) 0.8442(6) 0.0561(19) Uani 0.594(14) 1 d D U P A 2
H14D H -0.319627 -0.608859 0.805316 0.084 Uiso 0.594(14) 1 calc GR . P A 2
H14E H -0.301004 -0.549805 0.883940 0.084 Uiso 0.594(14) 1 calc GR . P A 2
H14F H -0.200409 -0.594266 0.856060 0.084 Uiso 0.594(14) 1 calc GR . P A 2
F1 F 0.3217(3) -0.2521(3) 0.56922(17) 0.1039(13) Uani 1 1 d . . . . .
F2 F 0.1482(3) -0.2667(3) 0.55389(16) 0.1037(13) Uani 1 1 d . . . . .
F3 F 0.2310(3) -0.37175(18) 0.60418(14) 0.0873(10) Uani 1 1 d . . . . .
F7 F 0.5771(2) 0.1637(3) 0.53332(17) 0.0808(9) Uani 1 1 d . . . . .
F8 F 0.63045(19) 0.1823(3) 0.64228(18) 0.0851(9) Uani 1 1 d . . . . .
F9 F 0.5490(2) 0.0327(2) 0.58210(17) 0.0744(8) Uani 1 1 d . . . . .
C25 C 0.2561(2) -0.0150(2) 0.72522(14) 0.0284(5) Uani 1 1 d . . . . .
C26 C 0.2481(2) -0.0896(2) 0.66499(14) 0.0298(5) Uani 1 1 d . . . . .
H26 H 0.240113 -0.066729 0.622353 0.036 Uiso 1 1 calc R . . . .
C27 C 0.2514(2) -0.1963(2) 0.66555(15) 0.0325(5) Uani 1 1 d . . . . .
C28 C 0.2641(2) -0.2331(2) 0.72647(16) 0.0346(6) Uani 1 1 d . . . . .
H28 H 0.268450 -0.305637 0.726922 0.041 Uiso 1 1 calc R . . . .
C29 C 0.2702(2) -0.1610(2) 0.78684(15) 0.0339(6) Uani 1 1 d . . . . .
C30 C 0.2652(2) -0.0547(2) 0.78586(15) 0.0323(5) Uani 1 1 d . . . . .
H30 H 0.268046 -0.007370 0.827845 0.039 Uiso 1 1 calc R . . . .
C31 C 0.2387(3) -0.2715(3) 0.59845(18) 0.0457(7) Uani 1 1 d . . . . .
C32 C 0.2810(3) -0.1991(3) 0.85339(19) 0.0555(8) Uani 1 1 d D U . . .
C33 C 0.2916(2) 0.1513(2) 0.66233(14) 0.0299(5) Uani 1 1 d . . . . .
C34 C 0.2417(2) 0.2184(2) 0.62320(15) 0.0342(6) Uani 1 1 d . . . . .
H34 H 0.174109 0.239184 0.631389 0.041 Uiso 1 1 calc R . . . .
C35 C 0.2876(3) 0.2557(2) 0.57279(16) 0.0390(6) Uani 1 1 d . . . . .
C36 C 0.3866(3) 0.2297(2) 0.55970(17) 0.0404(6) Uani 1 1 d . . . . .
H36 H 0.417749 0.255253 0.525090 0.048 Uiso 1 1 calc R . . . .
C37 C 0.4389(2) 0.1649(2) 0.59875(17) 0.0377(6) Uani 1 1 d . . . . .
C38 C 0.3922(2) 0.1264(2) 0.64880(15) 0.0336(6) Uani 1 1 d . . . . .
H38 H 0.429937 0.081877 0.674567 0.040 Uiso 1 1 calc R . . . .
C39 C 0.5474(3) 0.1361(3) 0.5883(2) 0.0522(9) Uani 1 1 d . . . . .
C40 C 0.2275(4) 0.3234(3) 0.53057(19) 0.0614(9) Uani 1 1 d D U . . .
C41 C 0.1075(2) 0.1064(2) 0.71237(14) 0.0297(5) Uani 1 1 d . . . . .
C42 C 0.0393(2) 0.0698(2) 0.64616(14) 0.0317(5) Uani 1 1 d . . . . .
H42 H 0.072848 0.051000 0.608375 0.038 Uiso 1 1 calc R . . . .
C43 C -0.0756(2) 0.0604(2) 0.63430(15) 0.0358(6) Uani 1 1 d . . . . .
C44 C -0.1285(2) 0.0859(2) 0.68745(17) 0.0384(6) Uani 1 1 d . . . . .
H44 H -0.206973 0.080923 0.679116 0.046 Uiso 1 1 calc R U . . .
C45 C -0.0634(3) 0.1190(2) 0.75303(16) 0.0393(6) Uani 1 1 d . . . . .
C46 C 0.0517(3) 0.1284(2) 0.76535(14) 0.0346(6) Uani 1 1 d . . . . .
H46 H 0.093610 0.150539 0.811359 0.041 Uiso 1 1 calc R . . . .
C47 C -0.1443(3) 0.0216(3) 0.56255(18) 0.0567(9) Uani 1 1 d D U . . .
C48 C -0.1174(3) 0.1450(3) 0.8123(2) 0.0596(9) Uani 1 1 d D U . . .
C49 C 0.3139(2) 0.1889(2) 0.79526(14) 0.0314(5) Uani 1 1 d . . . . .
C50 C 0.2843(3) 0.2860(2) 0.82147(16) 0.0389(6) Uani 1 1 d . . . . .
H50 H 0.217673 0.305002 0.798664 0.047 Uiso 1 1 calc R . . . .
C51 C 0.3490(3) 0.3552(2) 0.87969(17) 0.0429(7) Uani 1 1 d . . . . .
C52 C 0.4477(3) 0.3319(2) 0.91406(15) 0.0385(6) Uani 1 1 d . . . . .
H52 H 0.491796 0.379156 0.954045 0.046 Uiso 1 1 calc R . . . .
C53 C 0.4799(2) 0.2378(2) 0.88836(14) 0.0329(5) Uani 1 1 d . . . . .
C54 C 0.4149(2) 0.1686(2) 0.83014(14) 0.0320(5) Uani 1 1 d . . . . .
H54 H 0.440136 0.104985 0.813423 0.038 Uiso 1 1 calc R . . . .
C55 C 0.3128(4) 0.4565(3) 0.9077(2) 0.0688(11) Uani 1 1 d D U . . .
C56 C 0.5852(3) 0.2086(3) 0.92439(16) 0.0447(7) Uani 1 1 d D U . . .
B1 B 0.2420(2) 0.1090(2) 0.72397(15) 0.0284(6) Uani 1 1 d . . . . .
F4 F 0.3717(4) -0.2370(6) 0.8703(3) 0.0928(15) Uani 0.670(5) 1 d D U P B 1
F5 F 0.2015(5) -0.2832(4) 0.8483(2) 0.0920(15) Uani 0.670(5) 1 d D U P B 1
F6 F 0.2645(6) -0.1318(3) 0.90553(19) 0.0788(13) Uani 0.670(5) 1 d D U P B 1
F10 F 0.2704(7) 0.4280(4) 0.5574(3) 0.0994(19) Uani 0.569(6) 1 d D U P C 1
F11 F 0.2335(7) 0.3055(6) 0.4674(2) 0.0744(16) Uani 0.569(6) 1 d D U P C 1
F12 F 0.1226(5) 0.3183(7) 0.5320(4) 0.0890(16) Uani 0.569(6) 1 d D U P C 1
F13 F -0.1243(7) 0.0862(7) 0.5202(3) 0.093(2) Uani 0.495(9) 1 d D U P D 1
F14 F -0.1062(7) -0.0677(7) 0.5311(4) 0.076(2) Uani 0.495(9) 1 d D U P D 1
F15 F -0.2477(5) -0.0072(9) 0.5550(5) 0.081(2) Uani 0.495(9) 1 d D U P D 1
F16 F -0.1075(8) 0.2432(6) 0.8405(6) 0.0656(18) Uani 0.480(9) 1 d D U P E 1
F17 F -0.2212(5) 0.0937(8) 0.8014(4) 0.087(2) Uani 0.480(9) 1 d D U P E 1
F18 F -0.0643(7) 0.1015(7) 0.8675(4) 0.0667(16) Uani 0.480(9) 1 d D U P E 1
F19 F 0.2290(3) 0.4809(3) 0.86772(18) 0.0828(12) Uani 0.849(5) 1 d D U P F 1
F20 F 0.3973(4) 0.5419(2) 0.9173(2) 0.0895(12) Uani 0.849(5) 1 d D U P F 1
F21 F 0.2972(5) 0.4626(4) 0.9700(2) 0.0890(13) Uani 0.849(5) 1 d D U P F 1
F22 F 0.6619(4) 0.2153(6) 0.8877(3) 0.0846(14) Uani 0.663(7) 1 d D U P G 1
F23 F 0.6305(4) 0.2681(4) 0.9854(2) 0.0738(14) Uani 0.663(7) 1 d D U P G 1
F24 F 0.5729(4) 0.1120(3) 0.9353(4) 0.0868(17) Uani 0.663(7) 1 d D U P G 1
F4A F 0.3007(12) -0.2928(6) 0.8499(5) 0.087(2) Uani 0.330(5) 1 d D U P B 2
F5A F 0.2062(9) -0.1767(10) 0.8842(6) 0.087(2) Uani 0.330(5) 1 d D U P B 2
F6A F 0.3779(8) -0.1424(8) 0.8973(4) 0.083(2) Uani 0.330(5) 1 d D U P B 2
F10A F 0.1873(9) 0.3960(7) 0.5615(3) 0.0805(19) Uani 0.431(6) 1 d D U P C 2
F11A F 0.2760(8) 0.3537(8) 0.4833(5) 0.0816(19) Uani 0.431(6) 1 d D U P C 2
F12A F 0.1286(7) 0.2622(7) 0.4876(5) 0.101(2) Uani 0.431(6) 1 d D U P C 2
F13A F -0.1948(7) 0.1005(6) 0.5411(4) 0.094(2) Uani 0.505(9) 1 d D U P D 2
F14A F -0.0961(6) -0.0190(8) 0.5183(3) 0.0743(19) Uani 0.505(9) 1 d D U P D 2
F15A F -0.2349(6) -0.0497(6) 0.5635(4) 0.0646(17) Uani 0.505(9) 1 d D U P D 2
F16A F -0.0653(7) 0.2441(6) 0.8501(5) 0.0630(17) Uani 0.520(9) 1 d D U P E 2
F17A F -0.2223(5) 0.1663(7) 0.7908(3) 0.0817(18) Uani 0.520(9) 1 d D U P E 2
F18A F -0.1165(8) 0.0804(6) 0.8520(4) 0.0781(17) Uani 0.520(9) 1 d D U P E 2
F19A F 0.3322(19) 0.5334(12) 0.8773(10) 0.088(3) Uani 0.151(5) 1 d D U P F 2
F20A F 0.349(2) 0.4917(18) 0.9735(7) 0.083(3) Uani 0.151(5) 1 d D U P F 2
F21A F 0.2004(11) 0.4340(14) 0.9022(11) 0.087(3) Uani 0.151(5) 1 d D U P F 2
F22A F 0.6297(7) 0.1413(9) 0.8869(4) 0.072(2) Uani 0.337(7) 1 d D U P G 2
F23A F 0.6578(8) 0.2903(8) 0.9553(7) 0.088(3) Uani 0.337(7) 1 d D U P G 2
F24A F 0.5654(8) 0.1515(10) 0.9699(5) 0.0752(19) Uani 0.337(7) 1 d D U P G 2
Cl1A Cl -0.5050(14) -0.5400(14) 0.6990(10) 0.215(5) Uani 0.25 1 d D U P H -2
Cl2A Cl -0.4846(14) -0.4516(14) 0.5738(10) 0.214(5) Uani 0.25 1 d D U P H -2
C57A C -0.522(6) -0.442(3) 0.6527(19) 0.211(6) Uani 0.25 1 d D U P H -2
H57A H -0.479716 -0.374986 0.682535 0.253 Uiso 0.25 1 calc R U P H -2
H57B H -0.601367 -0.435090 0.644906 0.253 Uiso 0.25 1 calc R U P H -2
Cl1 Cl -0.4416(2) -0.4769(3) 0.6378(2) 0.1507(13) Uani 0.75 1 d D U P I -1
Cl2 Cl -0.5741(3) -0.5049(4) 0.7382(2) 0.1590(13) Uani 0.75 1 d D U P I -1
C57 C -0.5140(9) -0.4235(8) 0.6932(6) 0.114(2) Uani 0.75 1 d D U P I -1
H57C H -0.573314 -0.392658 0.667021 0.137 Uiso 0.75 1 calc R U P I -1
H57D H -0.463518 -0.364075 0.726729 0.137 Uiso 0.75 1 calc R U P I -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 S1 2.3966(7) . ?
Rh1 C17 2.141(3) . ?
Rh1 C18 2.173(3) . ?
Rh1 C21 2.148(3) . ?
Rh1 C22 2.160(3) . ?
Rh1 S2 2.345(16) . ?
Rh1 S2A 2.408(11) . ?
S1 C1 1.801(3) . ?
S1 C7 1.815(3) . ?
Si1 C2 1.893(3) . ?
Si1 C15 1.870(4) . ?
Si1 C16 1.871(4) . ?
Si1 C9 1.903(13) . ?
Si1 C9A 1.882(9) . ?
C1 C2 1.402(4) . ?
C1 C6 1.390(4) . ?
C2 C3 1.415(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(5) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17 1.0000 . ?
C17 C18 1.373(5) . ?
C17 C24 1.513(4) . ?
C18 H18 1.0000 . ?
C18 C19 1.519(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.497(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.529(7) . ?
C21 H21 1.0000 . ?
C21 C22 1.379(6) . ?
C22 H22 1.0000 . ?
C22 C23 1.513(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.508(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
S2 C8 1.783(12) . ?
S2 C14 1.823(11) . ?
C8 C9 1.43(2) . ?
C8 C13 1.38(2) . ?
C9 C10 1.43(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.40(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.345(18) . ?
C12 H12 0.9500 . ?
C12 C13 1.414(16) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
S2A C8A 1.801(8) . ?
S2A C14A 1.816(8) . ?
C8A C9A 1.362(15) . ?
C8A C13A 1.417(13) . ?
C9A C10A 1.388(17) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.390(12) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.357(11) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.376(12) . ?
C13A H13A 0.9500 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
F1 C31 1.304(5) . ?
F2 C31 1.314(5) . ?
F3 C31 1.316(4) . ?
F7 C39 1.327(5) . ?
F8 C39 1.341(5) . ?
F9 C39 1.327(5) . ?
C25 C26 1.397(4) . ?
C25 C30 1.399(4) . ?
C25 B1 1.641(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(4) . ?
C27 C28 1.384(4) . ?
C27 C31 1.497(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(4) . ?
C29 C30 1.390(4) . ?
C29 C32 1.499(4) . ?
C30 H30 0.9500 . ?
C32 F4 1.295(5) . ?
C32 F5 1.351(6) . ?
C32 F6 1.315(5) . ?
C32 F4A 1.260(8) . ?
C32 F5A 1.253(9) . ?
C32 F6A 1.386(8) . ?
C33 C34 1.397(4) . ?
C33 C38 1.395(4) . ?
C33 B1 1.638(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.387(4) . ?
C35 C36 1.379(5) . ?
C35 C40 1.494(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.385(4) . ?
C37 C38 1.392(4) . ?
C37 C39 1.489(5) . ?
C38 H38 0.9500 . ?
C40 F10 1.367(7) . ?
C40 F11 1.276(6) . ?
C40 F12 1.304(6) . ?
C40 F10A 1.251(6) . ?
C40 F11A 1.314(8) . ?
C40 F12A 1.414(8) . ?
C41 C42 1.406(4) . ?
C41 C46 1.395(4) . ?
C41 B1 1.639(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.389(4) . ?
C43 C44 1.380(4) . ?
C43 C47 1.499(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.378(5) . ?
C45 C46 1.391(5) . ?
C45 C48 1.493(4) . ?
C46 H46 0.9500 . ?
C47 F13 1.332(7) . ?
C47 F14 1.404(7) . ?
C47 F15 1.265(8) . ?
C47 F13A 1.356(7) . ?
C47 F14A 1.249(7) . ?
C47 F15A 1.369(7) . ?
C48 F16 1.282(9) . ?
C48 F17 1.334(7) . ?
C48 F18 1.423(7) . ?
C48 F16A 1.383(8) . ?
C48 F17A 1.371(7) . ?
C48 F18A 1.256(8) . ?
C49 C50 1.401(4) . ?
C49 C54 1.396(4) . ?
C49 B1 1.645(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.388(4) . ?
C51 C52 1.384(4) . ?
C51 C55 1.497(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.380(4) . ?
C53 C54 1.389(4) . ?
C53 C56 1.497(4) . ?
C54 H54 0.9500 . ?
C55 F19 1.297(5) . ?
C55 F20 1.385(6) . ?
C55 F21 1.302(6) . ?
C55 F19A 1.277(12) . ?
C55 F20A 1.301(13) . ?
C55 F21A 1.371(13) . ?
C56 F22 1.320(5) . ?
C56 F23 1.314(5) . ?
C56 F24 1.304(5) . ?
C56 F22A 1.304(7) . ?
C56 F23A 1.280(8) . ?
C56 F24A 1.316(8) . ?
Cl1A C57A 1.708(17) . ?
Cl2A C57A 1.735(17) . ?
C57A H57A 0.9900 . ?
C57A H57B 0.9900 . ?
Cl1 C57 1.683(9) . ?
Cl2 C57 1.700(10) . ?
C57 H57C 0.9900 . ?
C57 H57D 0.9900 . ?

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
S1 Rh1 S2A 83.3(2) . . ?
C17 Rh1 S1 91.65(9) . . ?
C17 Rh1 C18 37.12(14) . . ?
C17 Rh1 C21 95.98(14) . . ?
C17 Rh1 C22 80.87(13) . . ?
C17 Rh1 S2 160.3(3) . . ?
C17 Rh1 S2A 153.8(2) . . ?
C18 Rh1 S1 96.05(9) . . ?
C18 Rh1 S2 162.5(3) . . ?
C18 Rh1 S2A 168.9(2) . . ?
C21 Rh1 S1 162.20(13) . . ?
C21 Rh1 C18 80.74(15) . . ?
C21 Rh1 C22 37.35(17) . . ?
C21 Rh1 S2 92.8(3) . . ?
C21 Rh1 S2A 96.4(2) . . ?
C22 Rh1 S1 160.45(12) . . ?
C22 Rh1 C18 88.85(13) . . ?
C22 Rh1 S2 95.8(4) . . ?
C22 Rh1 S2A 95.4(2) . . ?
S2 Rh1 S1 85.1(3) . . ?
C1 S1 Rh1 108.93(10) . . ?
C1 S1 C7 101.53(14) . . ?
C7 S1 Rh1 114.59(10) . . ?
C2 Si1 C9 114.0(11) . . ?
C15 Si1 C2 107.14(18) . . ?
C15 Si1 C16 109.1(3) . . ?
C15 Si1 C9 112.5(9) . . ?
C15 Si1 C9A 106.6(6) . . ?
C16 Si1 C2 108.17(19) . . ?
C16 Si1 C9 105.8(13) . . ?
C16 Si1 C9A 108.4(9) . . ?
C9A Si1 C2 117.2(8) . . ?
C2 C1 S1 119.0(2) . . ?
C6 C1 S1 118.6(2) . . ?
C6 C1 C2 122.4(3) . . ?
C1 C2 Si1 130.7(2) . . ?
C1 C2 C3 115.6(3) . . ?
C3 C2 Si1 113.7(2) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.4(3) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.7(3) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 119.6(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
S1 C7 H7A 109.5 . . ?
S1 C7 H7B 109.5 . . ?
S1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Rh1 C17 H17 113.5 . . ?
C18 C17 Rh1 72.70(19) . . ?
C18 C17 H17 113.5 . . ?
C18 C17 C24 126.4(3) . . ?
C24 C17 Rh1 109.5(2) . . ?
C24 C17 H17 113.5 . . ?
Rh1 C18 H18 114.1 . . ?
C17 C18 Rh1 70.18(18) . . ?
C17 C18 H18 114.1 . . ?
C17 C18 C19 123.5(3) . . ?
C19 C18 Rh1 113.3(3) . . ?
C19 C18 H18 114.1 . . ?
C18 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 C18 112.2(3) . . ?
C20 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C19 C20 H20A 108.7 . . ?
C19 C20 H20B 108.7 . . ?
C19 C20 C21 114.1(3) . . ?
H20A C20 H20B 107.6 . . ?
C21 C20 H20A 108.7 . . ?
C21 C20 H20B 108.7 . . ?
Rh1 C21 H21 114.0 . . ?
C20 C21 Rh1 109.5(3) . . ?
C20 C21 H21 114.0 . . ?
C22 C21 Rh1 71.8(2) . . ?
C22 C21 C20 125.4(4) . . ?
C22 C21 H21 114.0 . . ?
Rh1 C22 H22 114.2 . . ?
C21 C22 Rh1 70.82(19) . . ?
C21 C22 H22 114.2 . . ?
C21 C22 C23 123.1(4) . . ?
C23 C22 Rh1 112.9(2) . . ?
C23 C22 H22 114.2 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C24 C23 C22 112.2(3) . . ?
C24 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C17 C24 H24A 108.9 . . ?
C17 C24 H24B 108.9 . . ?
C23 C24 C17 113.2(3) . . ?
C23 C24 H24A 108.9 . . ?
C23 C24 H24B 108.9 . . ?
H24A C24 H24B 107.8 . . ?
C8 S2 Rh1 95.5(8) . . ?
C8 S2 C14 104.5(9) . . ?
C14 S2 Rh1 117.3(8) . . ?
C9 C8 S2 117.1(14) . . ?
C13 C8 S2 118.8(12) . . ?
C13 C8 C9 123.5(12) . . ?
C8 C9 Si1 125.1(16) . . ?
C10 C9 Si1 120.7(16) . . ?
C10 C9 C8 113.5(12) . . ?
C9 C10 H10 118.3 . . ?
C11 C10 C9 123.3(13) . . ?
C11 C10 H10 118.3 . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.8(13) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 121.0(12) . . ?
C13 C12 H12 119.5 . . ?
C8 C13 C12 118.9(12) . . ?
C8 C13 H13 120.5 . . ?
C12 C13 H13 120.6 . . ?
S2 C14 H14A 109.5 . . ?
S2 C14 H14B 109.5 . . ?
S2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8A S2A Rh1 99.4(6) . . ?
C8A S2A C14A 101.4(6) . . ?
C14A S2A Rh1 117.6(5) . . ?
C9A C8A S2A 117.7(9) . . ?
C9A C8A C13A 121.4(8) . . ?
C13A C8A S2A 120.6(8) . . ?
C8A C9A Si1 124.2(11) . . ?
C8A C9A C10A 118.5(8) . . ?
C10A C9A Si1 117.2(9) . . ?
C9A C10A H10A 119.8 . . ?
C9A C10A C11A 120.4(8) . . ?
C11A C10A H10A 119.8 . . ?
C10A C11A H11A 119.7 . . ?
C12A C11A C10A 120.5(8) . . ?
C12A C11A H11A 119.7 . . ?
C11A C12A H12A 119.7 . . ?
C11A C12A C13A 120.6(8) . . ?
C13A C12A H12A 119.7 . . ?
C8A C13A H13A 120.8 . . ?
C12A C13A C8A 118.4(7) . . ?
C12A C13A H13A 120.8 . . ?
S2A C14A H14D 109.5 . . ?
S2A C14A H14E 109.5 . . ?
S2A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C26 C25 C30 115.9(2) . . ?
C26 C25 B1 122.0(2) . . ?
C30 C25 B1 121.8(2) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 C25 122.0(3) . . ?
C27 C26 H26 119.0 . . ?
C26 C27 C31 118.6(3) . . ?
C28 C27 C26 121.1(3) . . ?
C28 C27 C31 120.4(3) . . ?
C27 C28 H28 121.0 . . ?
C27 C28 C29 118.1(3) . . ?
C29 C28 H28 121.0 . . ?
C28 C29 C30 120.6(3) . . ?
C28 C29 C32 119.3(3) . . ?
C30 C29 C32 120.1(3) . . ?
C25 C30 H30 118.8 . . ?
C29 C30 C25 122.3(3) . . ?
C29 C30 H30 118.8 . . ?
F1 C31 F2 106.6(4) . . ?
F1 C31 F3 106.6(3) . . ?
F1 C31 C27 112.2(3) . . ?
F2 C31 F3 105.3(3) . . ?
F2 C31 C27 112.1(3) . . ?
F3 C31 C27 113.4(3) . . ?
F4 C32 C29 113.4(4) . . ?
F4 C32 F5 102.5(5) . . ?
F4 C32 F6 111.2(5) . . ?
F5 C32 C29 111.0(3) . . ?
F6 C32 C29 115.4(3) . . ?
F6 C32 F5 101.8(4) . . ?
F4A C32 C29 114.5(5) . . ?
F4A C32 F6A 100.9(7) . . ?
F5A C32 C29 112.4(5) . . ?
F5A C32 F4A 115.7(8) . . ?
F5A C32 F6A 104.0(8) . . ?
F6A C32 C29 107.5(4) . . ?
C34 C33 B1 123.4(2) . . ?
C38 C33 C34 115.8(3) . . ?
C38 C33 B1 120.7(2) . . ?
C33 C34 H34 119.0 . . ?
C35 C34 C33 122.1(3) . . ?
C35 C34 H34 119.0 . . ?
C34 C35 C40 119.5(3) . . ?
C36 C35 C34 121.3(3) . . ?
C36 C35 C40 119.2(3) . . ?
C35 C36 H36 121.1 . . ?
C35 C36 C37 117.7(3) . . ?
C37 C36 H36 121.1 . . ?
C36 C37 C38 121.0(3) . . ?
C36 C37 C39 120.3(3) . . ?
C38 C37 C39 118.8(3) . . ?
C33 C38 H38 119.0 . . ?
C37 C38 C33 122.1(3) . . ?
C37 C38 H38 119.0 . . ?
F7 C39 F8 106.4(3) . . ?
F7 C39 F9 106.7(4) . . ?
F7 C39 C37 114.0(3) . . ?
F8 C39 C37 111.6(3) . . ?
F9 C39 F8 104.9(3) . . ?
F9 C39 C37 112.6(3) . . ?
F10 C40 C35 109.5(4) . . ?
F11 C40 C35 114.4(4) . . ?
F11 C40 F10 107.3(5) . . ?
F11 C40 F12 107.2(5) . . ?
F12 C40 C35 114.5(4) . . ?
F12 C40 F10 103.2(5) . . ?
F10A C40 C35 117.5(4) . . ?
F10A C40 F11A 112.6(6) . . ?
F10A C40 F12A 99.3(7) . . ?
F11A C40 C35 115.4(5) . . ?
F11A C40 F12A 99.3(6) . . ?
F12A C40 C35 109.8(4) . . ?
C42 C41 B1 119.8(2) . . ?
C46 C41 C42 115.4(3) . . ?
C46 C41 B1 124.4(2) . . ?
C41 C42 H42 119.0 . . ?
C43 C42 C41 122.0(3) . . ?
C43 C42 H42 119.0 . . ?
C42 C43 C47 119.8(3) . . ?
C44 C43 C42 121.3(3) . . ?
C44 C43 C47 119.0(3) . . ?
C43 C44 H44 121.2 . . ?
C45 C44 C43 117.7(3) . . ?
C45 C44 H44 121.2 . . ?
C44 C45 C46 121.4(3) . . ?
C44 C45 C48 119.4(3) . . ?
C46 C45 C48 119.2(3) . . ?
C41 C46 H46 118.9 . . ?
C45 C46 C41 122.2(3) . . ?
C45 C46 H46 118.9 . . ?
F13 C47 C43 113.0(4) . . ?
F13 C47 F14 98.9(5) . . ?
F14 C47 C43 109.1(4) . . ?
F15 C47 C43 118.0(5) . . ?
F15 C47 F13 110.6(6) . . ?
F15 C47 F14 105.2(6) . . ?
F13A C47 C43 109.9(4) . . ?
F13A C47 F15A 100.4(5) . . ?
F14A C47 C43 116.7(4) . . ?
F14A C47 F13A 110.3(6) . . ?
F14A C47 F15A 108.8(6) . . ?
F15A C47 C43 109.5(4) . . ?
F16 C48 C45 117.5(6) . . ?
F16 C48 F17 112.3(6) . . ?
F16 C48 F18 102.2(6) . . ?
F17 C48 C45 113.6(4) . . ?
F17 C48 F18 100.6(5) . . ?
F18 C48 C45 108.4(4) . . ?
F16A C48 C45 108.0(5) . . ?
F17A C48 C45 111.3(4) . . ?
F17A C48 F16A 99.9(5) . . ?
F18A C48 C45 116.2(5) . . ?
F18A C48 F16A 108.6(6) . . ?
F18A C48 F17A 111.4(5) . . ?
C50 C49 B1 122.8(2) . . ?
C54 C49 C50 115.5(2) . . ?
C54 C49 B1 121.5(2) . . ?
C49 C50 H50 118.9 . . ?
C51 C50 C49 122.1(3) . . ?
C51 C50 H50 118.9 . . ?
C50 C51 C55 120.7(3) . . ?
C52 C51 C50 121.1(3) . . ?
C52 C51 C55 118.2(3) . . ?
C51 C52 H52 121.1 . . ?
C53 C52 C51 117.9(3) . . ?
C53 C52 H52 121.1 . . ?
C52 C53 C54 121.0(3) . . ?
C52 C53 C56 119.7(3) . . ?
C54 C53 C56 119.3(3) . . ?
C49 C54 H54 118.8 . . ?
C53 C54 C49 122.5(3) . . ?
C53 C54 H54 118.8 . . ?
F19 C55 C51 114.8(3) . . ?
F19 C55 F20 104.6(4) . . ?
F19 C55 F21 111.0(5) . . ?
F20 C55 C51 110.5(4) . . ?
F21 C55 C51 113.6(4) . . ?
F21 C55 F20 101.0(4) . . ?
F19A C55 C51 115.7(10) . . ?
F19A C55 F20A 107.9(13) . . ?
F19A C55 F21A 108.2(12) . . ?
F20A C55 C51 114.9(11) . . ?
F20A C55 F21A 101.9(13) . . ?
F21A C55 C51 107.0(7) . . ?
F22 C56 C53 110.9(3) . . ?
F23 C56 C53 115.1(3) . . ?
F23 C56 F22 105.9(4) . . ?
F24 C56 C53 113.3(3) . . ?
F24 C56 F22 106.5(5) . . ?
F24 C56 F23 104.4(4) . . ?
F22A C56 C53 115.8(4) . . ?
F22A C56 F24A 98.6(7) . . ?
F23A C56 C53 112.3(5) . . ?
F23A C56 F22A 110.1(7) . . ?
F23A C56 F24A 108.4(7) . . ?
F24A C56 C53 110.6(5) . . ?
C25 B1 C49 111.1(2) . . ?
C33 B1 C25 111.7(2) . . ?
C33 B1 C41 111.9(2) . . ?
C33 B1 C49 104.8(2) . . ?
C41 B1 C25 103.6(2) . . ?
C41 B1 C49 113.8(2) . . ?
Cl1A C57A Cl2A 121(2) . . ?
Cl1A C57A H57A 107.2 . . ?
Cl1A C57A H57B 107.2 . . ?
Cl2A C57A H57A 107.2 . . ?
Cl2A C57A H57B 107.2 . . ?
H57A C57A H57B 106.8 . . ?
Cl1 C57 Cl2 117.6(6) . . ?
Cl1 C57 H57C 107.9 . . ?
Cl1 C57 H57D 107.9 . . ?
Cl2 C57 H57C 107.9 . . ?
Cl2 C57 H57D 107.9 . . ?
H57C C57 H57D 107.2 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 S1 C1 C2 98.6(2) . . . . ?
Rh1 S1 C1 C6 -82.3(2) . . . . ?
Rh1 C17 C18 C19 -105.4(3) . . . . ?
Rh1 C17 C24 C23 37.3(4) . . . . ?
Rh1 C18 C19 C20 11.6(4) . . . . ?
Rh1 C21 C22 C23 -105.4(3) . . . . ?
Rh1 C22 C23 C24 12.4(5) . . . . ?
Rh1 S2 C8 C9 103.5(19) . . . . ?
Rh1 S2 C8 C13 -68.1(15) . . . . ?
Rh1 S2A C8A C9A 107.1(13) . . . . ?
Rh1 S2A C8A C13A -66.9(10) . . . . ?
S1 C1 C2 Si1 -0.6(4) . . . . ?
S1 C1 C2 C3 177.2(2) . . . . ?
S1 C1 C6 C5 -176.3(3) . . . . ?
Si1 C2 C3 C4 178.1(3) . . . . ?
Si1 C9 C10 C11 172(2) . . . . ?
Si1 C9A C10A C11A 176.5(13) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
C2 Si1 C9A C8A -58(2) . . . . ?
C2 Si1 C9A C10A 123.0(15) . . . . ?
C2 C1 C6 C5 2.8(5) . . . . ?
C2 C3 C4 C5 1.2(6) . . . . ?
C3 C4 C5 C6 -0.3(6) . . . . ?
C4 C5 C6 C1 -1.6(5) . . . . ?
C6 C1 C2 Si1 -179.7(3) . . . . ?
C6 C1 C2 C3 -1.8(5) . . . . ?
C7 S1 C1 C2 -140.1(2) . . . . ?
C7 S1 C1 C6 38.9(3) . . . . ?
C15 Si1 C2 C1 106.6(3) . . . . ?
C15 Si1 C2 C3 -71.2(3) . . . . ?
C15 Si1 C9A C8A -177.8(17) . . . . ?
C15 Si1 C9A C10A 3(2) . . . . ?
C16 Si1 C2 C1 -135.9(3) . . . . ?
C16 Si1 C2 C3 46.3(3) . . . . ?
C16 Si1 C9A C8A 65(2) . . . . ?
C16 Si1 C9A C10A -114.3(16) . . . . ?
C17 C18 C19 C20 92.5(5) . . . . ?
C18 C17 C24 C23 -45.3(5) . . . . ?
C18 C19 C20 C21 -31.2(5) . . . . ?
C19 C20 C21 Rh1 35.6(5) . . . . ?
C19 C20 C21 C22 -45.6(6) . . . . ?
C20 C21 C22 Rh1 101.4(4) . . . . ?
C20 C21 C22 C23 -4.0(6) . . . . ?
C21 C22 C23 C24 93.7(5) . . . . ?
C22 C23 C24 C17 -32.8(5) . . . . ?
C24 C17 C18 Rh1 101.8(3) . . . . ?
C24 C17 C18 C19 -3.5(6) . . . . ?
S2 C8 C9 Si1 17(3) . . . . ?
S2 C8 C9 C10 -173(2) . . . . ?
S2 C8 C13 C12 172.4(13) . . . . ?
C8 C9 C10 C11 1(4) . . . . ?
C9 Si1 C2 C1 -18.5(12) . . . . ?
C9 Si1 C2 C3 163.7(12) . . . . ?
C9 C8 C13 C12 1(3) . . . . ?
C9 C10 C11 C12 -1(3) . . . . ?
C10 C11 C12 C13 1(2) . . . . ?
C11 C12 C13 C8 -1(2) . . . . ?
C13 C8 C9 Si1 -172(2) . . . . ?
C13 C8 C9 C10 -2(4) . . . . ?
C14 S2 C8 C9 -136(2) . . . . ?
C14 S2 C8 C13 52.0(16) . . . . ?
S2A C8A C9A Si1 10(2) . . . . ?
S2A C8A C9A C10A -171.3(16) . . . . ?
S2A C8A C13A C12A 173.1(9) . . . . ?
C8A C9A C10A C11A -3(3) . . . . ?
C9A Si1 C2 C1 -13.0(8) . . . . ?
C9A Si1 C2 C3 169.2(8) . . . . ?
C9A C8A C13A C12A -0.8(18) . . . . ?
C9A C10A C11A C12A 0.6(19) . . . . ?
C10A C11A C12A C13A 1.3(14) . . . . ?
C11A C12A C13A C8A -1.3(14) . . . . ?
C13A C8A C9A Si1 -176.4(15) . . . . ?
C13A C8A C9A C10A 3(3) . . . . ?
C14A S2A C8A C9A -132.0(14) . . . . ?
C14A S2A C8A C13A 53.9(11) . . . . ?
C25 C26 C27 C28 -0.7(4) . . . . ?
C25 C26 C27 C31 178.1(3) . . . . ?
C26 C25 C30 C29 2.3(4) . . . . ?
C26 C25 B1 C33 -34.3(3) . . . . ?
C26 C25 B1 C41 86.4(3) . . . . ?
C26 C25 B1 C49 -151.0(2) . . . . ?
C26 C27 C28 C29 1.8(4) . . . . ?
C26 C27 C31 F1 66.1(4) . . . . ?
C26 C27 C31 F2 -53.9(4) . . . . ?
C26 C27 C31 F3 -173.0(3) . . . . ?
C27 C28 C29 C30 -0.8(4) . . . . ?
C27 C28 C29 C32 178.5(3) . . . . ?
C28 C27 C31 F1 -115.1(4) . . . . ?
C28 C27 C31 F2 124.8(4) . . . . ?
C28 C27 C31 F3 5.8(5) . . . . ?
C28 C29 C30 C25 -1.3(4) . . . . ?
C28 C29 C32 F4 62.8(6) . . . . ?
C28 C29 C32 F5 -52.0(5) . . . . ?
C28 C29 C32 F6 -167.2(4) . . . . ?
C28 C29 C32 F4A 10.3(9) . . . . ?
C28 C29 C32 F5A -124.5(8) . . . . ?
C28 C29 C32 F6A 121.5(6) . . . . ?
C30 C25 C26 C27 -1.3(4) . . . . ?
C30 C25 B1 C33 152.5(2) . . . . ?
C30 C25 B1 C41 -86.8(3) . . . . ?
C30 C25 B1 C49 35.8(3) . . . . ?
C30 C29 C32 F4 -117.9(5) . . . . ?
C30 C29 C32 F5 127.3(4) . . . . ?
C30 C29 C32 F6 12.1(6) . . . . ?
C30 C29 C32 F4A -170.4(8) . . . . ?
C30 C29 C32 F5A 54.8(8) . . . . ?
C30 C29 C32 F6A -59.2(6) . . . . ?
C31 C27 C28 C29 -177.0(3) . . . . ?
C32 C29 C30 C25 179.4(3) . . . . ?
C33 C34 C35 C36 -1.2(5) . . . . ?
C33 C34 C35 C40 177.3(3) . . . . ?
C34 C33 C38 C37 -0.9(4) . . . . ?
C34 C33 B1 C25 141.7(3) . . . . ?
C34 C33 B1 C41 26.0(3) . . . . ?
C34 C33 B1 C49 -97.8(3) . . . . ?
C34 C35 C36 C37 -0.1(5) . . . . ?
C34 C35 C40 F10 97.5(6) . . . . ?
C34 C35 C40 F11 -142.0(5) . . . . ?
C34 C35 C40 F12 -17.8(7) . . . . ?
C34 C35 C40 F10A 44.5(8) . . . . ?
C34 C35 C40 F11A -178.9(6) . . . . ?
C34 C35 C40 F12A -67.8(6) . . . . ?
C35 C36 C37 C38 0.9(5) . . . . ?
C35 C36 C37 C39 -178.5(3) . . . . ?
C36 C35 C40 F10 -83.9(6) . . . . ?
C36 C35 C40 F11 36.5(7) . . . . ?
C36 C35 C40 F12 160.8(5) . . . . ?
C36 C35 C40 F10A -136.9(7) . . . . ?
C36 C35 C40 F11A -0.3(8) . . . . ?
C36 C35 C40 F12A 110.8(6) . . . . ?
C36 C37 C38 C33 -0.3(5) . . . . ?
C36 C37 C39 F7 -9.8(5) . . . . ?
C36 C37 C39 F8 110.8(4) . . . . ?
C36 C37 C39 F9 -131.5(4) . . . . ?
C38 C33 C34 C35 1.7(4) . . . . ?
C38 C33 B1 C25 -42.3(3) . . . . ?
C38 C33 B1 C41 -158.0(2) . . . . ?
C38 C33 B1 C49 78.2(3) . . . . ?
C38 C37 C39 F7 170.9(3) . . . . ?
C38 C37 C39 F8 -68.6(4) . . . . ?
C38 C37 C39 F9 49.2(5) . . . . ?
C39 C37 C38 C33 179.0(3) . . . . ?
C40 C35 C36 C37 -178.6(3) . . . . ?
C41 C42 C43 C44 -0.5(5) . . . . ?
C41 C42 C43 C47 179.6(3) . . . . ?
C42 C41 C46 C45 -2.6(4) . . . . ?
C42 C41 B1 C25 -79.1(3) . . . . ?
C42 C41 B1 C33 41.5(3) . . . . ?
C42 C41 B1 C49 160.1(2) . . . . ?
C42 C43 C44 C45 -1.4(5) . . . . ?
C42 C43 C47 F13 -63.3(6) . . . . ?
C42 C43 C47 F14 45.6(6) . . . . ?
C42 C43 C47 F15 165.5(7) . . . . ?
C42 C43 C47 F13A -113.8(6) . . . . ?
C42 C43 C47 F14A 12.7(7) . . . . ?
C42 C43 C47 F15A 136.9(5) . . . . ?
C43 C44 C45 C46 1.2(5) . . . . ?
C43 C44 C45 C48 -178.6(3) . . . . ?
C44 C43 C47 F13 116.8(6) . . . . ?
C44 C43 C47 F14 -134.3(5) . . . . ?
C44 C43 C47 F15 -14.4(8) . . . . ?
C44 C43 C47 F13A 66.3(6) . . . . ?
C44 C43 C47 F14A -167.2(6) . . . . ?
C44 C43 C47 F15A -43.1(6) . . . . ?
C44 C45 C46 C41 0.8(5) . . . . ?
C44 C45 C48 F16 -107.5(7) . . . . ?
C44 C45 C48 F17 26.6(7) . . . . ?
C44 C45 C48 F18 137.4(5) . . . . ?
C44 C45 C48 F16A -129.2(5) . . . . ?
C44 C45 C48 F17A -20.5(6) . . . . ?
C44 C45 C48 F18A 108.5(6) . . . . ?
C46 C41 C42 C43 2.4(4) . . . . ?
C46 C41 B1 C25 94.2(3) . . . . ?
C46 C41 B1 C33 -145.2(3) . . . . ?
C46 C41 B1 C49 -26.6(4) . . . . ?
C46 C45 C48 F16 72.7(7) . . . . ?
C46 C45 C48 F17 -153.2(6) . . . . ?
C46 C45 C48 F18 -42.4(6) . . . . ?
C46 C45 C48 F16A 50.9(6) . . . . ?
C46 C45 C48 F17A 159.7(5) . . . . ?
C46 C45 C48 F18A -71.3(7) . . . . ?
C47 C43 C44 C45 178.5(3) . . . . ?
C48 C45 C46 C41 -179.4(3) . . . . ?
C49 C50 C51 C52 1.1(6) . . . . ?
C49 C50 C51 C55 -177.9(4) . . . . ?
C50 C49 C54 C53 2.2(4) . . . . ?
C50 C49 B1 C25 -152.6(3) . . . . ?
C50 C49 B1 C33 86.6(3) . . . . ?
C50 C49 B1 C41 -36.1(4) . . . . ?
C50 C51 C52 C53 0.3(5) . . . . ?
C50 C51 C55 F19 -10.7(7) . . . . ?
C50 C51 C55 F20 -128.7(4) . . . . ?
C50 C51 C55 F21 118.5(5) . . . . ?
C50 C51 C55 F19A -80.7(12) . . . . ?
C50 C51 C55 F20A 152.3(14) . . . . ?
C50 C51 C55 F21A 40.0(12) . . . . ?
C51 C52 C53 C54 -0.4(5) . . . . ?
C51 C52 C53 C56 -179.2(3) . . . . ?
C52 C51 C55 F19 170.3(4) . . . . ?
C52 C51 C55 F20 52.3(5) . . . . ?
C52 C51 C55 F21 -60.5(6) . . . . ?
C52 C51 C55 F19A 100.3(12) . . . . ?
C52 C51 C55 F20A -26.7(14) . . . . ?
C52 C51 C55 F21A -139.0(11) . . . . ?
C52 C53 C54 C49 -0.9(5) . . . . ?
C52 C53 C56 F22 -109.4(5) . . . . ?
C52 C53 C56 F23 10.9(6) . . . . ?
C52 C53 C56 F24 130.9(5) . . . . ?
C52 C53 C56 F22A -157.4(7) . . . . ?
C52 C53 C56 F23A -29.8(9) . . . . ?
C52 C53 C56 F24A 91.5(7) . . . . ?
C54 C49 C50 C51 -2.3(5) . . . . ?
C54 C49 B1 C25 33.6(4) . . . . ?
C54 C49 B1 C33 -87.3(3) . . . . ?
C54 C49 B1 C41 150.1(3) . . . . ?
C54 C53 C56 F22 71.8(5) . . . . ?
C54 C53 C56 F23 -167.9(4) . . . . ?
C54 C53 C56 F24 -47.9(6) . . . . ?
C54 C53 C56 F22A 23.8(8) . . . . ?
C54 C53 C56 F23A 151.4(8) . . . . ?
C54 C53 C56 F24A -87.3(7) . . . . ?
C55 C51 C52 C53 179.3(4) . . . . ?
C56 C53 C54 C49 177.8(3) . . . . ?
B1 C25 C26 C27 -174.9(2) . . . . ?
B1 C25 C30 C29 175.9(3) . . . . ?
B1 C33 C34 C35 177.9(3) . . . . ?
B1 C33 C38 C37 -177.2(3) . . . . ?
B1 C41 C42 C43 176.3(3) . . . . ?
B1 C41 C46 C45 -176.1(3) . . . . ?
B1 C49 C50 C51 -176.5(3) . . . . ?
B1 C49 C54 C53 176.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.726
_oxdiff_exptl_absorpt_empirical_full_min 0.731
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_172amm18re
_database_code_depnum_ccdc_archive 'CCDC 1969937'
loop_
_audit_author_name
_audit_author_address
'Antonio Martinez-Martinez'
;University of Huelva
Spain
;
_audit_update_record             
;
2019-12-04 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_audit_creation_date             2019-12-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H26 N2 Rh S2 Si, C32 H12 B F24'
_chemical_formula_sum            'C52 H38 B F24 N2 Rh S2 Si'
_chemical_formula_weight         1352.77
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C54 H66 Ir S2 N2 B1 F24'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.0258(4)
_cell_length_b                   14.6748(5)
_cell_length_c                   16.5971(6)
_cell_angle_alpha                64.937(3)
_cell_angle_beta                 82.448(3)
_cell_angle_gamma                74.530(3)
_cell_volume                     2769.10(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15479
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      75.8160
_cell_measurement_theta_min      2.9370
_shelx_estimated_absorpt_T_max   0.715
_shelx_estimated_absorpt_T_min   0.533
_exptl_absorpt_coefficient_mu    4.496
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68254
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34308
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.970
_diffrn_reflns_theta_min         2.940
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     44.00  91.00   1.00    1.50    --    0.00  57.00-150.00   47
  2  ω     11.00  40.00   1.00    1.50    --    0.00 -99.00-150.00   29
  3  ω    -93.00 -36.00   1.00    1.50    --    0.00-178.00 -60.00   57
  4  ω    -29.00  35.00   1.00    1.50    --    0.00  57.00-150.00   64
  5  ω    -97.00 -68.00   1.00    6.00    --  -59.95  77.00-150.00   29
  6  ω    -23.00  18.00   1.00    6.00    --  -59.95  77.00-150.00   41
  7  ω    -56.00  10.00   1.00    6.00    --  -59.95  45.00-150.00   66
  8  ω   -159.00  24.00   1.00    6.00    --  -59.95  15.00 120.00  183
  9  ω    105.00 133.00   1.00    6.00    --   59.95 125.00-120.00   28
 10  ω    103.00 135.00   1.00    6.00    --   59.95 125.00  60.00   32
 11  ω    110.00 150.00   1.00    6.00    --   59.95 125.00 120.00   40
 12  ω     94.00 152.00   1.00    6.00    --   59.95 125.00  30.00   58
 13  ω    112.00 151.00   1.00    6.00    --   59.95 125.00-180.00   39
 14  ω     44.00 118.00   1.00    6.00    --   59.95-125.00-120.00   74
 15  ω     71.00 112.00   1.00    9.00    --  119.91-111.00 -60.00   41
 16  ω    100.00 126.00   1.00    9.00    --  119.91 111.00  60.00   26
 17  ω     63.00  89.00   1.00    9.00    --  119.91-111.00   0.00   26
 18  ω     29.00  81.00   1.00    9.00    --  119.91 -37.00 120.00   52
 19  ω     25.00 177.00   1.00    9.00    --  119.91   0.00  60.00  152
 20  ω     30.00 102.00   1.00    9.00    --  119.91 -50.00-180.00   72
 21  ω     50.00  87.00   1.00    9.00    --  119.91 -25.00  30.00   37
 22  ω     34.00  92.00   1.00    9.00    --  119.91 -37.00 -30.00   58
 23  ω     29.00 112.00   1.00    9.00    --  119.91-111.00-180.00   83
 24  ω     41.00  66.00   1.00    9.00    --  119.91 -25.00-180.00   25
 25  ω     64.00  98.00   1.00    9.00    --  119.91-111.00-120.00   34
 26  ω     67.00  93.00   1.00    9.00    --  119.91 -50.00  60.00   26
 27  ω     66.00  91.00   1.00    9.00    --  119.91 -50.00 120.00   25
 28  ω     99.00 177.00   1.00    9.00    --  119.91  63.00  60.00   78
 29  ω     30.00  92.00   1.00    9.00    --  119.91 -37.00 -90.00   62
 30  ω     86.00 112.00   1.00    9.00    --  119.91-111.00  30.00   26
 31  ω     66.00 104.00   1.00    9.00    --  119.91-111.00 120.00   38
 32  ω    143.00 176.00   1.00    9.00    --  119.91 111.00  60.00   33
 33  ω     43.00 151.00   1.00    9.00    --  119.91 -77.00 -30.00  108
 34  ω    -95.00 -63.00   1.00    1.50    --    0.00 -66.00  49.00   32
 35  ω    -54.00  33.00   1.00    1.50    --    0.00 -66.00  49.00   87
 36  ω      5.00  51.00   1.00    1.50    --    0.00 -99.00  90.00   46
 37  ω    -40.00  -8.00   1.00    1.50    --   22.00 122.00 174.71   32
 38  ω     -1.00  26.00   1.00    6.00    --   46.00  94.00 -25.50   27
 39  ω      2.00  27.00   1.00    6.00    --   50.00  92.00 107.04   25
 40  ω      3.00  31.00   1.00    6.00    --   50.00  90.00 -83.83   28
 41  ω   -140.00  43.00   1.00    6.00    --  -59.95 -15.00 -60.00  183
 42  ω     16.00  41.00   1.00    6.00    --   59.95  81.00 118.98   25
 43  ω     16.00  41.00   1.00    6.00    --   59.95  81.00 -24.55   25
 44  ω     17.00  43.00   1.00    6.00    --   59.95  82.00-136.99   26
 45  ω     18.00  43.00   1.00    6.00    --   62.00  82.00  28.62   25
 46  ω     18.00  43.00   1.00    6.00    --   62.00  80.00  64.85   25
 47  ω     18.00  43.00   1.00    6.00    --   62.00  80.00 -69.98   25
 48  ω     19.00  45.00   1.00    6.00    --   62.00  82.00-179.93   26
 49  ω     18.00  43.00   1.00    6.00    --   62.00  80.00 156.87   25
 50  ω     30.00  89.00   1.00    6.00    --   74.00  64.00-158.84   59
 51  ω     30.00  65.00   1.00    6.00    --   74.00  77.00 -20.29   35
 52  ω     35.00  65.00   1.00    6.00    --   78.00  75.00-120.24   30
 53  ω     34.00  81.00   1.00    6.00    --   78.00  77.00 -70.05   47
 54  ω     40.00  67.00   1.00    6.00    --   82.00  67.00  88.33   27
 55  ω     43.00  69.00   1.00    6.00    --   86.00  71.00  52.90   26
 56  ω     42.00  68.00   1.00    6.00    --   86.00  77.00  94.93   26
 57  ω     51.00  78.00   1.00    9.00    --   94.00  74.00   5.11   27
 58  ω     52.00  77.00   1.00    9.00    --   94.00  62.00 143.15   25
 59  ω     51.00  78.00   1.00    9.00    --   94.00  74.00  97.91   27
 60  ω     55.00  91.00   1.00    9.00    --   98.00  70.00-110.55   36
 61  ω     60.00  95.00   1.00    9.00    --  102.00  66.00 143.17   35
 62  ω     59.00  93.00   1.00    9.00    --  102.00  76.00-149.63   34
 63  ω     71.00  97.00   1.00    9.00    --  114.00  69.00 -41.42   26
 64  ω     76.00 111.00   1.00    9.00    --  119.91  77.00  30.00   35
 65  ω     76.00 123.00   1.00    9.00    --  119.91  63.00 -60.00   47
 66  ω     77.00 102.00   1.00    9.00    --  119.91  63.00 -90.00   25
 67  ω     76.00 146.00   1.00    9.00    --  119.91  77.00 150.00   70
 68  ω     76.00 110.00   1.00    9.00    --  119.91  77.00 -90.00   34
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0926613000
_diffrn_orient_matrix_UB_12      0.0964147000
_diffrn_orient_matrix_UB_13      -0.0350729000
_diffrn_orient_matrix_UB_21      0.0227939000
_diffrn_orient_matrix_UB_22      0.0348752000
_diffrn_orient_matrix_UB_23      0.0699576000
_diffrn_orient_matrix_UB_31      0.0772034000
_diffrn_orient_matrix_UB_32      0.0608638000
_diffrn_orient_matrix_UB_33      -0.0661867000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10301
_reflns_number_total             11318
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     69.95
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.626
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     940
_refine_ls_number_reflns         11318
_refine_ls_number_restraints     950
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0899P)²+4.9989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1536
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F17-F16 \\sim F17-F18 \\sim F17A-F16A \\sim F17A-F18A \\sim F16A-F18A \\sim
F16-F18
 with sigma of 0.04
 F4-F6 \\sim F4-F5 \\sim F4A-F6A \\sim F4A-F5A \\sim F6A-F5A \\sim F6-F5
 with sigma of 0.04
 C52-F17 \\sim C52-F17A \\sim C52-F16A \\sim C52-F16 \\sim C52-F18A \\sim
C52-F18
 with sigma of 0.02
 C28-F4 \\sim C28-F4A \\sim C28-F6A \\sim C28-F6 \\sim C28-F5 \\sim C28-F5A
 with sigma of 0.02
 F11A-F12A \\sim F11A-F10A \\sim F11-F12 \\sim F11-F10 \\sim F12-F10 \\sim
F12A-F10A
 with sigma of 0.04
 C36-F11A \\sim C36-F11 \\sim C36-F12 \\sim C36-F12A \\sim C36-F10A \\sim
C36-F10
 with sigma of 0.02
 S2A-C14A \\sim S2-C14
 with sigma of 0.02
 Rh1-S2A \\sim Rh1-S2
 with sigma of 0.02
 S2A-C8A \\sim S2-C8
 with sigma of 0.02
 C9A-C8A \\sim C9-C8 \\sim C13-C8 \\sim C13A-C8A \\sim C13A-C12A \\sim C13-C12
\\sim C12A-C11A \\sim C12-
 C11 \\sim C11-C10 \\sim C11A-C10A \\sim C10A-C9A \\sim C10-C9
 with sigma of 0.02
 Si1-C9 \\sim Si1-C9A
 with sigma of 0.02
 F22-F24 \\sim F22-F23 \\sim F22A-F24A \\sim F22A-F23A \\sim F24A-F23A \\sim
F24-F23
 with sigma of 0.04
 C44-F22 \\sim C44-F22A \\sim C44-F24A \\sim C44-F24 \\sim C44-F23 \\sim
C44-F23A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C52 \\sim F16 \\sim F17 \\sim F18 \\sim F16A \\sim F17A \\sim F18A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C28 \\sim F4 \\sim F5 \\sim F6 \\sim F4A \\sim F5A \\sim F6A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C36 \\sim F10 \\sim F11 \\sim F12 \\sim F10A \\sim F11A \\sim F12A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
S2 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim
S2A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01
C44 \\sim F22 \\sim F23 \\sim F24 \\sim F22A \\sim F23A \\sim F24A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 C52, F16, F17, F18, F16A, F17A, F18A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C28, F4, F5, F6, F4A, F5A, F6A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C36, F10, F11, F12, F10A, F11A, F12A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 S2, C8, C9, C10, C11, C12, C13, C14, S2A, C8A, C9A, C10A, C11A, C12A, C13A,
 C14A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C44, F22, F23, F24, F22A, F23A, F24A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F16A)=Sof(F17A)=Sof(F18A)=1-FVAR(1)
 Sof(F16)=Sof(F17)=Sof(F18)=FVAR(1)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(2)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(2)
 Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(3)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(3)
 Sof(S2A)=Sof(C8A)=Sof(C9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=
 Sof(H12A)=Sof(C13A)=Sof(H13A)=Sof(C14A)=Sof(H14D)=Sof(H14F)=Sof(H14E)=1-FVAR(4)
 Sof(S2)=Sof(C8)=Sof(C9)=Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=
 Sof(C13)=Sof(H13)=Sof(C14)=Sof(H14B)=Sof(H14C)=Sof(H14A)=FVAR(4)
 Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(5)
 Sof(F22)=Sof(F23)=Sof(F24)=FVAR(5)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 C10A(H10A), C11A(H11A), C12A(H12A), C13A(H13A), C22(H22), C24(H24), C26(H26),
 C30(H30), C32(H32), C34(H34), C38(H38), C40(H40), C42(H42), C46(H46), C48(H48),
  C50(H50)
6.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C14(H14B,H14C,H14A), C14A(H14D,H14F,H14E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.53004(2) 0.09269(2) 0.22410(2) 0.02989(10) Uani 1 1 d D . . . .
S1 S 0.67531(7) -0.01909(7) 0.19796(6) 0.0387(2) Uani 1 1 d . . . . .
Si1 Si 0.55228(9) 0.20842(8) 0.08347(6) 0.0357(2) Uani 1 1 d D . . . .
N1 N 0.3923(3) 0.1967(3) 0.2413(2) 0.0420(7) Uani 1 1 d . . . . .
N2 N 0.5132(3) -0.0247(3) 0.3614(2) 0.0452(8) Uani 1 1 d . . . . .
C1 C 0.7342(3) 0.0487(4) 0.0928(3) 0.0458(10) Uani 1 1 d . . . . .
C2 C 0.6829(4) 0.1462(4) 0.0415(3) 0.0497(11) Uani 1 1 d . . . . .
C3 C 0.7279(5) 0.1931(5) -0.0430(3) 0.0707(16) Uani 1 1 d . . . . .
H3 H 0.696096 0.261773 -0.082123 0.085 Uiso 1 1 calc R . . . .
C4 C 0.8222(5) 0.1357(6) -0.0689(4) 0.0688(16) Uani 1 1 d . . . . .
H4 H 0.852813 0.167492 -0.126124 0.083 Uiso 1 1 calc R . . . .
C5 C 0.8693(5) 0.0394(6) -0.0167(5) 0.0824(19) Uani 1 1 d . . . . .
H5 H 0.931444 0.003319 -0.037140 0.099 Uiso 1 1 calc R . . . .
C6 C 0.8284(4) -0.0073(5) 0.0660(5) 0.0703(16) Uani 1 1 d . . . . .
H6 H 0.861897 -0.075545 0.104764 0.084 Uiso 1 1 calc R . . . .
C7 C 0.7832(4) -0.0625(5) 0.2745(4) 0.0671(14) Uani 1 1 d . . . . .
H7A H 0.809814 -0.003062 0.267691 0.101 Uiso 1 1 calc GR . . . .
H7B H 0.841071 -0.112957 0.261301 0.101 Uiso 1 1 calc GR . . . .
H7C H 0.757012 -0.094789 0.335664 0.101 Uiso 1 1 calc GR . . . .
C15 C 0.5569(5) 0.3413(4) 0.0653(4) 0.0615(13) Uani 1 1 d . . . . .
H15A H 0.492465 0.372186 0.091157 0.092 Uiso 1 1 calc GR . . . .
H15B H 0.560856 0.383770 0.001355 0.092 Uiso 1 1 calc GR . . . .
H15C H 0.619792 0.338050 0.093906 0.092 Uiso 1 1 calc GR . . . .
C16 C 0.6270(3) 0.1547(3) 0.2678(3) 0.0416(8) Uani 1 1 d . . . . .
H16A H 0.652096 0.106185 0.327522 0.062 Uiso 1 1 calc GR . . . .
H16B H 0.586026 0.220487 0.269475 0.062 Uiso 1 1 calc GR . . . .
H16C H 0.688222 0.166685 0.226844 0.062 Uiso 1 1 calc GR . . . .
C17 C 0.3142(4) 0.2501(3) 0.2462(3) 0.0410(8) Uani 1 1 d . . . . .
C18 C 0.2124(4) 0.3196(3) 0.2524(3) 0.0506(10) Uani 1 1 d . . . . .
H18A H 0.216366 0.391445 0.216114 0.076 Uiso 1 1 calc GR . . . .
H18B H 0.197101 0.309797 0.314527 0.076 Uiso 1 1 calc GR . . . .
H18C H 0.155632 0.303977 0.230630 0.076 Uiso 1 1 calc GR . . . .
C19 C 0.5090(4) -0.0856(3) 0.4314(3) 0.0458(9) Uani 1 1 d . . . . .
C20 C 0.5045(5) -0.1629(4) 0.5219(3) 0.0586(12) Uani 1 1 d . . . . .
H20A H 0.443058 -0.192538 0.528976 0.088 Uiso 1 1 calc GR . . . .
H20B H 0.497238 -0.130391 0.563802 0.088 Uiso 1 1 calc GR . . . .
H20C H 0.570011 -0.217837 0.533818 0.088 Uiso 1 1 calc GR . . . .
S2 S 0.40459(14) 0.04356(19) 0.16240(13) 0.0333(4) Uani 0.778(7) 1 d D U P A 1
C8 C 0.3840(4) 0.1438(4) 0.0490(4) 0.0358(10) Uani 0.778(7) 1 d D U P A 1
C9 C 0.4479(5) 0.2173(4) 0.0132(4) 0.0381(12) Uani 0.778(7) 1 d D U P A 1
C10 C 0.4282(7) 0.2918(6) -0.0752(4) 0.0515(15) Uani 0.778(7) 1 d D U P A 1
H10 H 0.468513 0.342989 -0.100714 0.062 Uiso 0.778(7) 1 calc R . P A 1
C11 C 0.3487(9) 0.2915(9) -0.1269(6) 0.066(2) Uani 0.778(7) 1 d D U P A 1
H11 H 0.338409 0.340131 -0.186972 0.079 Uiso 0.778(7) 1 calc R . P A 1
C12 C 0.2881(7) 0.2207(6) -0.0891(5) 0.0589(17) Uani 0.778(7) 1 d D U P A 1
H12 H 0.234436 0.220972 -0.122881 0.071 Uiso 0.778(7) 1 calc R . P A 1
C13 C 0.3039(5) 0.1469(5) -0.0004(5) 0.0486(14) Uani 0.778(7) 1 d D U P A 1
H13 H 0.259607 0.099263 0.025682 0.058 Uiso 0.778(7) 1 calc R . P A 1
C14 C 0.4615(5) -0.0699(4) 0.1398(4) 0.0451(12) Uani 0.778(7) 1 d D U P A 1
H14B H 0.410245 -0.079573 0.107613 0.068 Uiso 0.778(7) 1 calc GR . P A 1
H14C H 0.478484 -0.130777 0.196043 0.068 Uiso 0.778(7) 1 calc GR . P A 1
H14A H 0.526771 -0.060968 0.103496 0.068 Uiso 0.778(7) 1 calc GR . P A 1
S2A S 0.4276(5) -0.0063(8) 0.1877(5) 0.0368(13) Uani 0.222(7) 1 d D U P A 2
C8A C 0.3848(17) 0.1013(17) 0.0759(13) 0.055(3) Uani 0.222(7) 1 d D U P A 2
C9A C 0.438(2) 0.188(2) 0.0347(16) 0.056(3) Uani 0.222(7) 1 d D U P A 2
C10A C 0.418(3) 0.270(2) -0.0528(18) 0.057(3) Uani 0.222(7) 1 d D U P A 2
H10A H 0.458268 0.320749 -0.074109 0.068 Uiso 0.222(7) 1 calc R . P A 2
C11A C 0.339(3) 0.277(3) -0.109(2) 0.060(3) Uani 0.222(7) 1 d D U P A 2
H11A H 0.325062 0.326961 -0.168564 0.072 Uiso 0.222(7) 1 calc R . P A 2
C12A C 0.284(3) 0.198(2) -0.0615(19) 0.059(3) Uani 0.222(7) 1 d D U P A 2
H12A H 0.222831 0.203008 -0.090108 0.071 Uiso 0.222(7) 1 calc R . P A 2
C13A C 0.305(2) 0.111(2) 0.0219(18) 0.060(3) Uani 0.222(7) 1 d D U P A 2
H13A H 0.264400 0.060240 0.040939 0.072 Uiso 0.222(7) 1 calc R . P A 2
C14A C 0.5253(14) -0.1088(13) 0.1671(12) 0.038(3) Uani 0.222(7) 1 d D U P A 2
H14D H 0.564732 -0.078730 0.111549 0.056 Uiso 0.222(7) 1 calc GR . P A 2
H14F H 0.488858 -0.156652 0.162192 0.056 Uiso 0.222(7) 1 calc GR . P A 2
H14E H 0.575012 -0.146487 0.216442 0.056 Uiso 0.222(7) 1 calc GR . P A 2
F1 F 0.5884(3) 0.6200(3) 0.4869(2) 0.0809(10) Uani 1 1 d . . . . .
F2 F 0.6293(3) 0.7221(2) 0.3633(2) 0.0780(9) Uani 1 1 d . . . . .
F3 F 0.4672(3) 0.7204(4) 0.3912(4) 0.128(2) Uani 1 1 d . . . . .
F7 F 1.2189(2) 0.2865(3) 0.4852(2) 0.0685(8) Uani 1 1 d . . . . .
F8 F 1.0899(3) 0.3004(4) 0.5742(2) 0.0904(12) Uani 1 1 d . . . . .
F9 F 1.1723(3) 0.4193(3) 0.5157(3) 0.0876(12) Uani 1 1 d . . . . .
F13 F 1.1295(3) 0.1431(3) 0.1970(3) 0.0861(11) Uani 1 1 d . . . . .
F14 F 1.0107(4) 0.0637(3) 0.2207(4) 0.127(2) Uani 1 1 d . . . . .
F15 F 1.0588(4) 0.1460(4) 0.0883(3) 0.1111(16) Uani 1 1 d . . . . .
F19 F 0.8469(4) -0.1135(2) 0.5892(2) 0.0995(15) Uani 1 1 d . . . . .
F20 F 0.7155(3) -0.0428(3) 0.5013(3) 0.0929(12) Uani 1 1 d . . . . .
F21 F 0.8716(4) -0.0520(2) 0.4504(2) 0.0898(12) Uani 1 1 d . . . . .
C21 C 0.6987(3) 0.4364(3) 0.3363(2) 0.0285(6) Uani 1 1 d . . . . .
C22 C 0.6795(3) 0.5144(3) 0.3674(2) 0.0331(7) Uani 1 1 d . . . . .
H22 H 0.737498 0.525017 0.388872 0.040 Uiso 1 1 calc R . . . .
C23 C 0.5781(3) 0.5771(3) 0.3680(3) 0.0381(8) Uani 1 1 d . . . . .
C24 C 0.4913(3) 0.5649(3) 0.3372(3) 0.0391(8) Uani 1 1 d . . . . .
H24 H 0.422330 0.607851 0.337245 0.047 Uiso 1 1 calc R . . . .
C25 C 0.5082(3) 0.4879(3) 0.3063(3) 0.0337(7) Uani 1 1 d . . . . .
C26 C 0.6088(3) 0.4250(3) 0.3061(2) 0.0310(7) Uani 1 1 d . . . . .
H26 H 0.617288 0.372542 0.284895 0.037 Uiso 1 1 calc R . . . .
C27 C 0.5642(3) 0.6596(4) 0.4023(4) 0.0531(11) Uani 1 1 d . . . . .
C28 C 0.4163(3) 0.4724(3) 0.2722(3) 0.0448(8) Uani 1 1 d D U . . .
C29 C 0.9104(3) 0.4054(3) 0.3491(2) 0.0297(7) Uani 1 1 d . . . . .
C30 C 0.9835(3) 0.3591(3) 0.4181(2) 0.0329(7) Uani 1 1 d . . . . .
H30 H 0.980705 0.292889 0.463347 0.039 Uiso 1 1 calc R . . . .
C31 C 1.0603(3) 0.4074(3) 0.4221(3) 0.0372(8) Uani 1 1 d . . . . .
C32 C 1.0698(3) 0.5014(3) 0.3564(3) 0.0410(9) Uani 1 1 d . . . . .
H32 H 1.121898 0.534422 0.359400 0.049 Uiso 1 1 calc R . . . .
C33 C 1.0011(3) 0.5467(3) 0.2856(3) 0.0406(8) Uani 1 1 d . . . . .
C34 C 0.9233(3) 0.5001(3) 0.2826(2) 0.0351(7) Uani 1 1 d . . . . .
H34 H 0.876778 0.533651 0.233596 0.042 Uiso 1 1 calc R . . . .
C35 C 1.1351(3) 0.3537(4) 0.4987(3) 0.0514(11) Uani 1 1 d . . . . .
C36 C 1.0127(4) 0.6466(4) 0.2125(4) 0.0641(11) Uani 1 1 d D U . . .
C37 C 0.8076(3) 0.2509(3) 0.4307(2) 0.0304(7) Uani 1 1 d . . . . .
C38 C 0.8101(3) 0.1535(3) 0.4342(2) 0.0348(7) Uani 1 1 d . . . . .
H38 H 0.814268 0.145075 0.380117 0.042 Uiso 1 1 calc R . . . .
C39 C 0.8068(3) 0.0678(3) 0.5150(3) 0.0406(8) Uani 1 1 d . . . . .
C40 C 0.8010(3) 0.0770(3) 0.5953(3) 0.0420(9) Uani 1 1 d . . . . .
H40 H 0.799664 0.019042 0.650283 0.050 Uiso 1 1 calc R . . . .
C41 C 0.7973(3) 0.1732(3) 0.5929(2) 0.0374(8) Uani 1 1 d . . . . .
C42 C 0.7984(3) 0.2581(3) 0.5131(2) 0.0338(7) Uani 1 1 d . . . . .
H42 H 0.792616 0.323539 0.514072 0.041 Uiso 1 1 calc R . . . .
C43 C 0.8102(4) -0.0344(3) 0.5149(3) 0.0530(11) Uani 1 1 d . . . . .
C44 C 0.7999(4) 0.1836(3) 0.6791(3) 0.0509(9) Uani 1 1 d D U . . .
C45 C 0.8432(3) 0.3385(3) 0.2484(2) 0.0298(7) Uani 1 1 d . . . . .
C46 C 0.9226(3) 0.2544(3) 0.2444(2) 0.0338(7) Uani 1 1 d . . . . .
H46 H 0.955947 0.202905 0.297774 0.041 Uiso 1 1 calc R . . . .
C47 C 0.9540(3) 0.2439(3) 0.1645(3) 0.0426(9) Uani 1 1 d . . . . .
C48 C 0.9113(4) 0.3185(4) 0.0846(3) 0.0499(10) Uani 1 1 d . . . . .
H48 H 0.933910 0.311913 0.030135 0.060 Uiso 1 1 calc R . . . .
C49 C 0.8343(4) 0.4033(4) 0.0867(3) 0.0474(10) Uani 1 1 d . . . . .
C50 C 0.8011(3) 0.4127(3) 0.1661(2) 0.0368(8) Uani 1 1 d . . . . .
H50 H 0.747780 0.471819 0.164910 0.044 Uiso 1 1 calc R . . . .
C51 C 1.0374(4) 0.1504(4) 0.1661(4) 0.0614(13) Uani 1 1 d . . . . .
C52 C 0.7934(5) 0.4886(4) 0.0002(3) 0.0741(13) Uani 1 1 d D U . . .
B1 B 0.8145(3) 0.3557(3) 0.3405(3) 0.0283(7) Uani 1 1 d . . . . .
F4 F 0.4152(5) 0.3732(4) 0.3046(5) 0.0646(15) Uani 0.623(9) 1 d D U P B 1
F5 F 0.4173(6) 0.5069(7) 0.1847(4) 0.0729(16) Uani 0.623(9) 1 d D U P B 1
F6 F 0.3226(4) 0.5152(6) 0.2988(6) 0.0734(16) Uani 0.623(9) 1 d D U P B 1
F10 F 1.1184(3) 0.6451(4) 0.1857(4) 0.0903(19) Uani 0.697(7) 1 d D U P C 1
F11 F 0.9777(6) 0.7285(3) 0.2255(4) 0.0781(15) Uani 0.697(7) 1 d D U P C 1
F12 F 0.9670(5) 0.6670(8) 0.1353(4) 0.0697(16) Uani 0.697(7) 1 d D U P C 1
F16 F 0.7916(7) 0.4532(6) -0.0610(4) 0.0899(19) Uani 0.704(10) 1 d D U P D 1
F17 F 0.8380(7) 0.5670(5) -0.0272(4) 0.101(2) Uani 0.704(10) 1 d D U P D 1
F18 F 0.6882(5) 0.5344(5) 0.0080(4) 0.0867(18) Uani 0.704(10) 1 d D U P D 1
F22 F 0.7709(6) 0.1085(5) 0.7493(3) 0.0688(16) Uani 0.681(11) 1 d D U P E 1
F23 F 0.9046(4) 0.1681(5) 0.6987(4) 0.0557(13) Uani 0.681(11) 1 d D U P E 1
F24 F 0.7535(7) 0.2746(5) 0.6785(6) 0.0680(19) Uani 0.681(11) 1 d D U P E 1
F4A F 0.3734(9) 0.3977(10) 0.3290(7) 0.076(3) Uani 0.377(9) 1 d D U P B 2
F5A F 0.4411(8) 0.4505(11) 0.2006(7) 0.067(2) Uani 0.377(9) 1 d D U P B 2
F6A F 0.3349(7) 0.5548(7) 0.2465(9) 0.065(2) Uani 0.377(9) 1 d D U P B 2
F10A F 1.0712(10) 0.6903(9) 0.2400(8) 0.080(2) Uani 0.303(7) 1 d D U P C 2
F11A F 0.9153(10) 0.7183(8) 0.2288(8) 0.072(2) Uani 0.303(7) 1 d D U P C 2
F12A F 1.0019(13) 0.6617(19) 0.1335(10) 0.071(3) Uani 0.303(7) 1 d D U P C 2
F16A F 0.8803(10) 0.5176(14) -0.0536(9) 0.094(3) Uani 0.296(10) 1 d D U P D 2
F17A F 0.7284(16) 0.5704(11) 0.0042(10) 0.096(3) Uani 0.296(10) 1 d D U P D 2
F18A F 0.7450(14) 0.4697(14) -0.0536(11) 0.087(3) Uani 0.296(10) 1 d D U P D 2
F22A F 0.7151(11) 0.1583(12) 0.7314(7) 0.070(2) Uani 0.319(11) 1 d D U P E 2
F23A F 0.8837(11) 0.1405(12) 0.7257(9) 0.073(3) Uani 0.319(11) 1 d D U P E 2
F24A F 0.7788(14) 0.2857(9) 0.6622(12) 0.053(2) Uani 0.319(11) 1 d D U P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh1 S1 2.2783(9) . ?
Rh1 Si1 2.2676(10) . ?
Rh1 N1 2.099(3) . ?
Rh1 N2 2.225(3) . ?
Rh1 C16 2.088(4) . ?
Rh1 S2 2.4357(14) . ?
Rh1 S2A 2.499(5) . ?
S1 C1 1.791(4) . ?
S1 C7 1.817(5) . ?
Si1 C2 1.901(5) . ?
Si1 C15 1.860(5) . ?
Si1 C9 1.849(5) . ?
Si1 C9A 1.925(17) . ?
N1 C17 1.123(5) . ?
N2 C19 1.132(6) . ?
C1 C2 1.351(7) . ?
C1 C6 1.417(7) . ?
C2 C3 1.403(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.421(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.328(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.358(9) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.462(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.454(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
S2 C8 1.832(6) . ?
S2 C14 1.806(5) . ?
C8 C9 1.419(6) . ?
C8 C13 1.389(7) . ?
C9 C10 1.415(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.431(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.360(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.413(8) . ?
C13 H13 0.9500 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 H14A 0.9800 . ?
S2A C8A 1.888(17) . ?
S2A C14A 1.817(15) . ?
C8A C9A 1.478(14) . ?
C8A C13A 1.402(14) . ?
C9A C10A 1.441(14) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.435(15) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.415(15) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.423(14) . ?
C13A H13A 0.9500 . ?
C14A H14D 0.9800 . ?
C14A H14F 0.9800 . ?
C14A H14E 0.9800 . ?
F1 C27 1.317(6) . ?
F2 C27 1.321(6) . ?
F3 C27 1.321(5) . ?
F7 C35 1.329(5) . ?
F8 C35 1.322(6) . ?
F9 C35 1.326(6) . ?
F13 C51 1.327(7) . ?
F14 C51 1.318(7) . ?
F15 C51 1.311(6) . ?
F19 C43 1.320(5) . ?
F20 C43 1.329(6) . ?
F21 C43 1.322(6) . ?
C21 C22 1.397(5) . ?
C21 C26 1.406(5) . ?
C21 B1 1.640(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.396(5) . ?
C23 C24 1.382(5) . ?
C23 C27 1.504(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.384(5) . ?
C25 C26 1.388(5) . ?
C25 C28 1.496(5) . ?
C26 H26 0.9500 . ?
C28 F4 1.325(6) . ?
C28 F5 1.319(7) . ?
C28 F6 1.328(6) . ?
C28 F4A 1.309(9) . ?
C28 F5A 1.336(9) . ?
C28 F6A 1.329(8) . ?
C29 C30 1.401(5) . ?
C29 C34 1.397(5) . ?
C29 B1 1.653(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.395(5) . ?
C31 C32 1.374(6) . ?
C31 C35 1.501(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.386(6) . ?
C33 C34 1.382(5) . ?
C33 C36 1.485(6) . ?
C34 H34 0.9500 . ?
C36 F10 1.388(6) . ?
C36 F11 1.266(7) . ?
C36 F12 1.367(8) . ?
C36 F10A 1.341(9) . ?
C36 F11A 1.493(11) . ?
C36 F12A 1.255(12) . ?
C37 C38 1.396(5) . ?
C37 C42 1.404(5) . ?
C37 B1 1.644(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.403(5) . ?
C39 C40 1.386(6) . ?
C39 C43 1.489(6) . ?
C40 H40 0.9500 . ?
C40 C41 1.384(6) . ?
C41 C42 1.384(5) . ?
C41 C44 1.507(5) . ?
C42 H42 0.9500 . ?
C44 F22 1.317(6) . ?
C44 F23 1.381(6) . ?
C44 F24 1.307(8) . ?
C44 F22A 1.344(9) . ?
C44 F23A 1.276(11) . ?
C44 F24A 1.357(12) . ?
C45 C46 1.403(5) . ?
C45 C50 1.403(5) . ?
C45 B1 1.633(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.396(5) . ?
C47 C48 1.380(6) . ?
C47 C51 1.498(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.386(6) . ?
C49 C50 1.384(6) . ?
C49 C52 1.495(6) . ?
C50 H50 0.9500 . ?
C52 F16 1.328(8) . ?
C52 F17 1.309(8) . ?
C52 F18 1.372(8) . ?
C52 F16A 1.389(11) . ?
C52 F17A 1.294(11) . ?
C52 F18A 1.312(12) . ?

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
S1 Rh1 S2 94.46(5) . . ?
S1 Rh1 S2A 84.11(17) . . ?
Si1 Rh1 S1 87.58(4) . . ?
Si1 Rh1 S2 86.53(6) . . ?
Si1 Rh1 S2A 97.83(18) . . ?
N1 Rh1 S1 176.59(9) . . ?
N1 Rh1 Si1 90.37(10) . . ?
N1 Rh1 N2 91.60(13) . . ?
N1 Rh1 S2 82.69(10) . . ?
N1 Rh1 S2A 93.5(2) . . ?
N2 Rh1 S1 90.45(10) . . ?
N2 Rh1 Si1 178.03(10) . . ?
N2 Rh1 S2 93.67(11) . . ?
N2 Rh1 S2A 82.0(2) . . ?
C16 Rh1 S1 90.91(12) . . ?
C16 Rh1 Si1 88.50(12) . . ?
C16 Rh1 N1 91.76(15) . . ?
C16 Rh1 N2 91.49(15) . . ?
C16 Rh1 S2 172.52(13) . . ?
C16 Rh1 S2A 171.8(3) . . ?
C1 S1 Rh1 108.50(16) . . ?
C1 S1 C7 102.7(2) . . ?
C7 S1 Rh1 114.1(2) . . ?
C2 Si1 Rh1 105.07(15) . . ?
C2 Si1 C9A 107.6(10) . . ?
C15 Si1 Rh1 118.87(19) . . ?
C15 Si1 C2 108.6(2) . . ?
C15 Si1 C9A 119.9(8) . . ?
C9 Si1 Rh1 108.77(17) . . ?
C9 Si1 C2 105.7(2) . . ?
C9 Si1 C15 109.0(2) . . ?
C9A Si1 Rh1 95.2(7) . . ?
C17 N1 Rh1 174.1(3) . . ?
C19 N2 Rh1 177.2(4) . . ?
C2 C1 S1 118.7(3) . . ?
C2 C1 C6 124.1(5) . . ?
C6 C1 S1 117.0(4) . . ?
C1 C2 Si1 119.4(3) . . ?
C1 C2 C3 116.6(5) . . ?
C3 C2 Si1 123.9(5) . . ?
C2 C3 H3 120.7 . . ?
C2 C3 C4 118.6(6) . . ?
C4 C3 H3 120.7 . . ?
C3 C4 H4 118.6 . . ?
C5 C4 C3 122.8(5) . . ?
C5 C4 H4 118.6 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(6) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 121.0 . . ?
C5 C6 C1 118.1(7) . . ?
C5 C6 H6 121.0 . . ?
S1 C7 H7A 109.5 . . ?
S1 C7 H7B 109.5 . . ?
S1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Rh1 C16 H16A 109.5 . . ?
Rh1 C16 H16B 109.5 . . ?
Rh1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 C18 179.8(5) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 C20 179.1(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C8 S2 Rh1 104.15(17) . . ?
C14 S2 Rh1 113.8(2) . . ?
C14 S2 C8 100.6(3) . . ?
C9 C8 S2 120.4(4) . . ?
C13 C8 S2 118.5(4) . . ?
C13 C8 C9 121.0(5) . . ?
C8 C9 Si1 118.4(4) . . ?
C10 C9 Si1 124.4(5) . . ?
C10 C9 C8 117.2(5) . . ?
C9 C10 H10 119.3 . . ?
C9 C10 C11 121.3(6) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 H11 120.4 . . ?
C12 C11 C10 119.3(7) . . ?
C12 C11 H11 120.4 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.9(7) . . ?
C13 C12 H12 119.6 . . ?
C8 C13 C12 120.2(6) . . ?
C8 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
S2 C14 H14B 109.5 . . ?
S2 C14 H14C 109.5 . . ?
S2 C14 H14A 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H14B C14 H14A 109.5 . . ?
H14C C14 H14A 109.5 . . ?
C8A S2A Rh1 94.1(7) . . ?
C14A S2A Rh1 106.5(6) . . ?
C14A S2A C8A 107.4(10) . . ?
C9A C8A S2A 120.5(14) . . ?
C13A C8A S2A 127.7(16) . . ?
C13A C8A C9A 111.8(17) . . ?
C8A C9A Si1 127.0(14) . . ?
C10A C9A Si1 107.8(18) . . ?
C10A C9A C8A 125.1(19) . . ?
C9A C10A H10A 118.6 . . ?
C11A C10A C9A 123(2) . . ?
C11A C10A H10A 118.6 . . ?
C10A C11A H11A 125.8 . . ?
C12A C11A C10A 108(3) . . ?
C12A C11A H11A 125.8 . . ?
C11A C12A H12A 114.3 . . ?
C11A C12A C13A 131(3) . . ?
C13A C12A H12A 114.3 . . ?
C8A C13A C12A 120(2) . . ?
C8A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
S2A C14A H14D 109.5 . . ?
S2A C14A H14F 109.5 . . ?
S2A C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14F C14A H14E 109.5 . . ?
C22 C21 C26 115.5(3) . . ?
C22 C21 B1 123.9(3) . . ?
C26 C21 B1 120.4(3) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 C21 122.2(3) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 C27 119.0(3) . . ?
C24 C23 C22 121.1(3) . . ?
C24 C23 C27 119.9(3) . . ?
C23 C24 H24 121.1 . . ?
C23 C24 C25 117.8(3) . . ?
C25 C24 H24 121.1 . . ?
C24 C25 C26 121.3(3) . . ?
C24 C25 C28 119.4(3) . . ?
C26 C25 C28 119.3(3) . . ?
C21 C26 H26 118.9 . . ?
C25 C26 C21 122.1(3) . . ?
C25 C26 H26 118.9 . . ?
F1 C27 F2 103.1(4) . . ?
F1 C27 F3 109.1(5) . . ?
F1 C27 C23 111.8(4) . . ?
F2 C27 F3 105.6(5) . . ?
F2 C27 C23 113.3(4) . . ?
F3 C27 C23 113.3(4) . . ?
F4 C28 C25 111.4(4) . . ?
F4 C28 F6 103.3(5) . . ?
F5 C28 C25 113.1(4) . . ?
F5 C28 F4 107.0(5) . . ?
F5 C28 F6 108.7(5) . . ?
F6 C28 C25 112.8(4) . . ?
F4A C28 C25 115.2(6) . . ?
F4A C28 F5A 104.7(8) . . ?
F4A C28 F6A 104.1(7) . . ?
F5A C28 C25 113.5(5) . . ?
F6A C28 C25 114.1(5) . . ?
F6A C28 F5A 104.1(7) . . ?
C30 C29 B1 125.1(3) . . ?
C34 C29 C30 115.7(3) . . ?
C34 C29 B1 119.2(3) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 C29 121.8(3) . . ?
C31 C30 H30 119.1 . . ?
C30 C31 C35 118.8(4) . . ?
C32 C31 C30 121.1(3) . . ?
C32 C31 C35 120.1(4) . . ?
C31 C32 H32 121.0 . . ?
C31 C32 C33 118.1(3) . . ?
C33 C32 H32 121.0 . . ?
C32 C33 C36 118.7(4) . . ?
C34 C33 C32 120.9(4) . . ?
C34 C33 C36 120.4(4) . . ?
C29 C34 H34 118.8 . . ?
C33 C34 C29 122.4(3) . . ?
C33 C34 H34 118.8 . . ?
F7 C35 C31 112.6(4) . . ?
F8 C35 F7 105.8(4) . . ?
F8 C35 F9 105.3(4) . . ?
F8 C35 C31 113.1(4) . . ?
F9 C35 F7 106.9(4) . . ?
F9 C35 C31 112.5(4) . . ?
C33 C36 F11A 100.5(6) . . ?
F10 C36 C33 111.6(4) . . ?
F11 C36 C33 118.4(5) . . ?
F11 C36 F10 105.5(5) . . ?
F11 C36 F12 104.7(6) . . ?
F12 C36 C33 113.3(5) . . ?
F12 C36 F10 101.7(5) . . ?
F10A C36 C33 109.6(6) . . ?
F10A C36 F11A 88.4(8) . . ?
F12A C36 C33 119.4(12) . . ?
F12A C36 F10A 126.3(11) . . ?
F12A C36 F11A 102.4(10) . . ?
C38 C37 C42 115.6(3) . . ?
C38 C37 B1 126.5(3) . . ?
C42 C37 B1 117.8(3) . . ?
C37 C38 H38 118.9 . . ?
C37 C38 C39 122.2(3) . . ?
C39 C38 H38 118.9 . . ?
C38 C39 C43 119.9(4) . . ?
C40 C39 C38 120.6(4) . . ?
C40 C39 C43 119.5(4) . . ?
C39 C40 H40 121.0 . . ?
C41 C40 C39 118.0(4) . . ?
C41 C40 H40 121.0 . . ?
C40 C41 C42 121.3(3) . . ?
C40 C41 C44 119.1(3) . . ?
C42 C41 C44 119.5(4) . . ?
C37 C42 H42 118.9 . . ?
C41 C42 C37 122.3(3) . . ?
C41 C42 H42 118.9 . . ?
F19 C43 F20 107.4(4) . . ?
F19 C43 F21 105.5(5) . . ?
F19 C43 C39 113.4(4) . . ?
F20 C43 C39 112.7(4) . . ?
F21 C43 F20 103.9(4) . . ?
F21 C43 C39 113.2(4) . . ?
F22 C44 C41 113.9(4) . . ?
F22 C44 F23 100.6(4) . . ?
F23 C44 C41 108.8(4) . . ?
F24 C44 C41 115.7(6) . . ?
F24 C44 F22 111.8(5) . . ?
F24 C44 F23 104.5(6) . . ?
F22A C44 C41 111.1(6) . . ?
F22A C44 F24A 99.7(8) . . ?
F23A C44 C41 120.0(8) . . ?
F23A C44 F22A 109.1(8) . . ?
F23A C44 F24A 106.2(12) . . ?
F24A C44 C41 108.8(9) . . ?
C46 C45 C50 115.2(3) . . ?
C46 C45 B1 121.7(3) . . ?
C50 C45 B1 122.6(3) . . ?
C45 C46 H46 119.0 . . ?
C47 C46 C45 122.0(3) . . ?
C47 C46 H46 119.0 . . ?
C46 C47 C51 118.8(4) . . ?
C48 C47 C46 121.3(4) . . ?
C48 C47 C51 119.9(4) . . ?
C47 C48 H48 121.2 . . ?
C47 C48 C49 117.6(4) . . ?
C49 C48 H48 121.2 . . ?
C48 C49 C52 118.2(4) . . ?
C50 C49 C48 121.2(4) . . ?
C50 C49 C52 120.5(4) . . ?
C45 C50 H50 118.7 . . ?
C49 C50 C45 122.6(4) . . ?
C49 C50 H50 118.7 . . ?
F13 C51 C47 112.9(4) . . ?
F14 C51 F13 103.6(5) . . ?
F14 C51 C47 111.9(4) . . ?
F15 C51 F13 106.4(5) . . ?
F15 C51 F14 107.2(5) . . ?
F15 C51 C47 114.1(5) . . ?
F16 C52 C49 111.9(5) . . ?
F16 C52 F18 102.6(6) . . ?
F17 C52 C49 114.0(5) . . ?
F17 C52 F16 114.1(6) . . ?
F17 C52 F18 102.0(6) . . ?
F18 C52 C49 111.2(5) . . ?
F16A C52 C49 108.1(7) . . ?
F17A C52 C49 116.5(8) . . ?
F17A C52 F16A 108.6(10) . . ?
F17A C52 F18A 102.4(10) . . ?
F18A C52 C49 119.9(9) . . ?
F18A C52 F16A 99.6(10) . . ?
C21 B1 C29 109.9(3) . . ?
C21 B1 C37 105.0(3) . . ?
C37 B1 C29 110.2(3) . . ?
C45 B1 C21 111.8(3) . . ?
C45 B1 C29 104.5(3) . . ?
C45 B1 C37 115.4(3) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 S1 C1 C2 -6.8(4) . . . . ?
Rh1 S1 C1 C6 177.9(3) . . . . ?
Rh1 Si1 C9 C8 -10.0(5) . . . . ?
Rh1 Si1 C9 C10 171.0(6) . . . . ?
Rh1 S2 C8 C9 8.6(5) . . . . ?
Rh1 S2 C8 C13 -170.6(4) . . . . ?
Rh1 S2A C8A C9A 15(2) . . . . ?
Rh1 S2A C8A C13A -165(2) . . . . ?
S1 C1 C2 Si1 1.1(5) . . . . ?
S1 C1 C2 C3 -175.2(3) . . . . ?
S1 C1 C6 C5 174.3(4) . . . . ?
Si1 C2 C3 C4 -175.6(4) . . . . ?
Si1 C9 C10 C11 177.5(8) . . . . ?
Si1 C9A C10A C11A 179(3) . . . . ?
C1 C2 C3 C4 0.5(7) . . . . ?
C2 Si1 C9 C8 102.4(5) . . . . ?
C2 Si1 C9 C10 -76.5(6) . . . . ?
C2 C1 C6 C5 -0.6(7) . . . . ?
C2 C3 C4 C5 0.2(8) . . . . ?
C3 C4 C5 C6 -1.2(9) . . . . ?
C4 C5 C6 C1 1.4(9) . . . . ?
C6 C1 C2 Si1 176.0(3) . . . . ?
C6 C1 C2 C3 -0.3(6) . . . . ?
C7 S1 C1 C2 -127.9(4) . . . . ?
C7 S1 C1 C6 56.8(4) . . . . ?
C15 Si1 C9 C8 -141.0(5) . . . . ?
C15 Si1 C9 C10 40.1(7) . . . . ?
S2 C8 C9 Si1 0.3(7) . . . . ?
S2 C8 C9 C10 179.3(5) . . . . ?
S2 C8 C13 C12 -177.7(6) . . . . ?
C8 C9 C10 C11 -1.4(12) . . . . ?
C9 C8 C13 C12 3.0(10) . . . . ?
C9 C10 C11 C12 2.7(15) . . . . ?
C10 C11 C12 C13 -1.0(16) . . . . ?
C11 C12 C13 C8 -1.8(13) . . . . ?
C13 C8 C9 Si1 179.6(5) . . . . ?
C13 C8 C9 C10 -1.4(9) . . . . ?
C14 S2 C8 C9 -109.4(5) . . . . ?
C14 S2 C8 C13 71.3(5) . . . . ?
S2A C8A C9A Si1 -1(4) . . . . ?
S2A C8A C9A C10A 175(3) . . . . ?
S2A C8A C13A C12A -179(2) . . . . ?
C8A C9A C10A C11A 2(5) . . . . ?
C9A C8A C13A C12A 0(4) . . . . ?
C9A C10A C11A C12A 4(5) . . . . ?
C10A C11A C12A C13A -9(6) . . . . ?
C11A C12A C13A C8A 8(6) . . . . ?
C13A C8A C9A Si1 180(2) . . . . ?
C13A C8A C9A C10A -4(4) . . . . ?
C14A S2A C8A C9A -93(2) . . . . ?
C14A S2A C8A C13A 86(3) . . . . ?
C21 C22 C23 C24 -0.2(6) . . . . ?
C21 C22 C23 C27 -179.7(4) . . . . ?
C22 C21 C26 C25 0.8(5) . . . . ?
C22 C21 B1 C29 -21.5(5) . . . . ?
C22 C21 B1 C37 97.0(4) . . . . ?
C22 C21 B1 C45 -137.2(3) . . . . ?
C22 C23 C24 C25 0.4(6) . . . . ?
C22 C23 C27 F1 -62.7(6) . . . . ?
C22 C23 C27 F2 53.3(6) . . . . ?
C22 C23 C27 F3 173.5(5) . . . . ?
C23 C24 C25 C26 0.0(6) . . . . ?
C23 C24 C25 C28 -179.9(4) . . . . ?
C24 C23 C27 F1 117.8(5) . . . . ?
C24 C23 C27 F2 -126.2(4) . . . . ?
C24 C23 C27 F3 -6.0(7) . . . . ?
C24 C25 C26 C21 -0.6(6) . . . . ?
C24 C25 C28 F4 -133.9(5) . . . . ?
C24 C25 C28 F5 105.5(6) . . . . ?
C24 C25 C28 F6 -18.3(7) . . . . ?
C24 C25 C28 F4A -98.4(9) . . . . ?
C24 C25 C28 F5A 140.9(7) . . . . ?
C24 C25 C28 F6A 21.9(9) . . . . ?
C26 C21 C22 C23 -0.4(5) . . . . ?
C26 C21 B1 C29 163.4(3) . . . . ?
C26 C21 B1 C37 -78.1(4) . . . . ?
C26 C21 B1 C45 47.8(4) . . . . ?
C26 C25 C28 F4 46.3(6) . . . . ?
C26 C25 C28 F5 -74.3(6) . . . . ?
C26 C25 C28 F6 161.9(6) . . . . ?
C26 C25 C28 F4A 81.8(9) . . . . ?
C26 C25 C28 F5A -38.9(8) . . . . ?
C26 C25 C28 F6A -157.9(7) . . . . ?
C27 C23 C24 C25 179.9(4) . . . . ?
C28 C25 C26 C21 179.2(3) . . . . ?
C29 C30 C31 C32 -2.4(6) . . . . ?
C29 C30 C31 C35 179.2(3) . . . . ?
C30 C29 C34 C33 -1.7(5) . . . . ?
C30 C29 B1 C21 122.2(3) . . . . ?
C30 C29 B1 C37 6.9(5) . . . . ?
C30 C29 B1 C45 -117.7(4) . . . . ?
C30 C31 C32 C33 -0.3(6) . . . . ?
C30 C31 C35 F7 84.7(5) . . . . ?
C30 C31 C35 F8 -35.2(6) . . . . ?
C30 C31 C35 F9 -154.3(4) . . . . ?
C31 C32 C33 C34 1.9(6) . . . . ?
C31 C32 C33 C36 -178.0(4) . . . . ?
C32 C31 C35 F7 -93.7(5) . . . . ?
C32 C31 C35 F8 146.4(4) . . . . ?
C32 C31 C35 F9 27.2(6) . . . . ?
C32 C33 C34 C29 -0.9(6) . . . . ?
C32 C33 C36 F10 46.0(6) . . . . ?
C32 C33 C36 F11 -76.7(7) . . . . ?
C32 C33 C36 F12 160.1(5) . . . . ?
C32 C33 C36 F10A -16.7(9) . . . . ?
C32 C33 C36 F11A -108.8(6) . . . . ?
C32 C33 C36 F12A 140.4(10) . . . . ?
C34 C29 C30 C31 3.3(5) . . . . ?
C34 C29 B1 C21 -59.1(4) . . . . ?
C34 C29 B1 C37 -174.4(3) . . . . ?
C34 C29 B1 C45 61.0(4) . . . . ?
C34 C33 C36 F10 -133.9(5) . . . . ?
C34 C33 C36 F11 103.3(6) . . . . ?
C34 C33 C36 F12 -19.9(7) . . . . ?
C34 C33 C36 F10A 163.3(8) . . . . ?
C34 C33 C36 F11A 71.3(7) . . . . ?
C34 C33 C36 F12A -39.6(11) . . . . ?
C35 C31 C32 C33 178.1(4) . . . . ?
C36 C33 C34 C29 179.0(4) . . . . ?
C37 C38 C39 C40 -0.2(6) . . . . ?
C37 C38 C39 C43 -179.7(4) . . . . ?
C38 C37 C42 C41 3.2(5) . . . . ?
C38 C37 B1 C21 114.8(4) . . . . ?
C38 C37 B1 C29 -126.9(4) . . . . ?
C38 C37 B1 C45 -8.8(5) . . . . ?
C38 C39 C40 C41 0.8(6) . . . . ?
C38 C39 C43 F19 155.5(5) . . . . ?
C38 C39 C43 F20 -82.2(6) . . . . ?
C38 C39 C43 F21 35.4(6) . . . . ?
C39 C40 C41 C42 0.6(6) . . . . ?
C39 C40 C41 C44 -175.2(4) . . . . ?
C40 C39 C43 F19 -24.0(7) . . . . ?
C40 C39 C43 F20 98.3(5) . . . . ?
C40 C39 C43 F21 -144.1(4) . . . . ?
C40 C41 C42 C37 -2.7(6) . . . . ?
C40 C41 C44 F22 -21.0(7) . . . . ?
C40 C41 C44 F23 90.2(5) . . . . ?
C40 C41 C44 F24 -152.5(6) . . . . ?
C40 C41 C44 F22A -61.9(9) . . . . ?
C40 C41 C44 F23A 67.0(10) . . . . ?
C40 C41 C44 F24A -170.6(9) . . . . ?
C42 C37 C38 C39 -1.8(5) . . . . ?
C42 C37 B1 C21 -65.3(4) . . . . ?
C42 C37 B1 C29 53.0(4) . . . . ?
C42 C37 B1 C45 171.1(3) . . . . ?
C42 C41 C44 F22 163.2(5) . . . . ?
C42 C41 C44 F23 -85.6(5) . . . . ?
C42 C41 C44 F24 31.6(7) . . . . ?
C42 C41 C44 F22A 122.3(8) . . . . ?
C42 C41 C44 F23A -108.8(10) . . . . ?
C42 C41 C44 F24A 13.6(10) . . . . ?
C43 C39 C40 C41 -179.7(4) . . . . ?
C44 C41 C42 C37 173.0(4) . . . . ?
C45 C46 C47 C48 2.7(6) . . . . ?
C45 C46 C47 C51 -178.5(4) . . . . ?
C46 C45 C50 C49 0.8(6) . . . . ?
C46 C45 B1 C21 -162.9(3) . . . . ?
C46 C45 B1 C29 78.2(4) . . . . ?
C46 C45 B1 C37 -43.0(4) . . . . ?
C46 C47 C48 C49 -1.3(7) . . . . ?
C46 C47 C51 F13 -60.6(6) . . . . ?
C46 C47 C51 F14 55.8(7) . . . . ?
C46 C47 C51 F15 177.8(5) . . . . ?
C47 C48 C49 C50 -0.2(7) . . . . ?
C47 C48 C49 C52 175.4(5) . . . . ?
C48 C47 C51 F13 118.3(5) . . . . ?
C48 C47 C51 F14 -125.3(6) . . . . ?
C48 C47 C51 F15 -3.4(7) . . . . ?
C48 C49 C50 C45 0.4(7) . . . . ?
C48 C49 C52 F16 33.0(8) . . . . ?
C48 C49 C52 F17 -98.3(8) . . . . ?
C48 C49 C52 F18 147.1(6) . . . . ?
C48 C49 C52 F16A -51.7(11) . . . . ?
C48 C49 C52 F17A -174.3(13) . . . . ?
C48 C49 C52 F18A 61.4(12) . . . . ?
C50 C45 C46 C47 -2.3(5) . . . . ?
C50 C45 B1 C21 25.6(5) . . . . ?
C50 C45 B1 C29 -93.2(4) . . . . ?
C50 C45 B1 C37 145.6(3) . . . . ?
C50 C49 C52 F16 -151.4(6) . . . . ?
C50 C49 C52 F17 77.2(8) . . . . ?
C50 C49 C52 F18 -37.3(7) . . . . ?
C50 C49 C52 F16A 123.9(11) . . . . ?
C50 C49 C52 F17A 1.3(14) . . . . ?
C50 C49 C52 F18A -123.1(11) . . . . ?
C51 C47 C48 C49 179.9(5) . . . . ?
C52 C49 C50 C45 -175.0(4) . . . . ?
B1 C21 C22 C23 -175.6(3) . . . . ?
B1 C21 C26 C25 176.2(3) . . . . ?
B1 C29 C30 C31 -178.0(3) . . . . ?
B1 C29 C34 C33 179.5(3) . . . . ?
B1 C37 C38 C39 178.1(3) . . . . ?
B1 C37 C42 C41 -176.7(3) . . . . ?
B1 C45 C46 C47 -174.3(3) . . . . ?
B1 C45 C50 C49 172.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.471
_oxdiff_exptl_absorpt_empirical_full_min 0.693
