# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_CyP2SiH2
_database_code_depnum_ccdc_archive 'CCDC 1444624'
_audit_update_record             
;
2015-12-28 deposited with the CCDC.
2016-01-26 downloaded from the CCDC.
;
_audit_creation_date             2015-12-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H54 P2 Si'
_chemical_formula_sum            'C36 H54 P2 Si'
_chemical_formula_weight         576.82
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.139(2)
_cell_length_b                   9.8506(13)
_cell_length_c                   22.244(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.736(7)
_cell_angle_gamma                90
_cell_volume                     3313.4(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14084
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.69
_cell_measurement_theta_min      3.04
_shelx_estimated_absorpt_T_max   0.938
_shelx_estimated_absorpt_T_min   0.899
_exptl_absorpt_coefficient_mu    0.190
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.34
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_number            3811
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.036
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 6.849
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_reflns_number_gt                2798
_reflns_number_total             3811

_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r13'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r13'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r13'
_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    'SIR2004 (Burla, et al., 2005)'
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3811
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0268P)²+4.1283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1169
_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
P1 P 0.55916(4) 0.18689(6) 0.13119(3) 0.02393(15) Uani 1 1 d . . . . .
Si1 Si 0.5000 0.01763(9) 0.2500 0.0267(2) Uani 1 2 d S T P . .
H1 H 0.5087(14) -0.068(2) 0.3008(10) 0.032(6) Uiso 1 1 d . . . . .
C1 C 0.60490(14) 0.1209(2) 0.25027(10) 0.0236(5) Uani 1 1 d . . . . .
C2 C 0.65938(15) 0.1229(2) 0.30327(10) 0.0293(5) Uani 1 1 d . . . . .
H2 H 0.6426 0.0723 0.3373 0.035 Uiso 1 1 calc R . . . .
C3 C 0.73685(16) 0.1972(3) 0.30676(11) 0.0343(6) Uani 1 1 d . . . . .
H3 H 0.7718 0.1997 0.3434 0.041 Uiso 1 1 calc R . . . .
C4 C 0.76372(15) 0.2676(3) 0.25726(11) 0.0340(6) Uani 1 1 d . . . . .
H4 H 0.8175 0.3176 0.2595 0.041 Uiso 1 1 calc R . . . .
C5 C 0.71198(15) 0.2650(3) 0.20443(11) 0.0309(5) Uani 1 1 d . . . . .
H5 H 0.7312 0.3127 0.1703 0.037 Uiso 1 1 calc R . . . .
C6 C 0.63174(14) 0.1938(2) 0.19992(9) 0.0239(5) Uani 1 1 d . . . . .
C7 C 0.53150(14) 0.3664(2) 0.11294(10) 0.0250(5) Uani 1 1 d . . . . .
H7 H 0.4867 0.3626 0.0785 0.030 Uiso 1 1 calc R . . . .
C8 C 0.48365(17) 0.4307(3) 0.16516(12) 0.0381(6) Uani 1 1 d . . . . .
H8A H 0.4347 0.3706 0.1763 0.046 Uiso 1 1 calc R . . . .
H8B H 0.5255 0.4390 0.2006 0.046 Uiso 1 1 calc R . . . .
C9 C 0.44659(17) 0.5706(3) 0.14880(13) 0.0434(7) Uani 1 1 d . . . . .
H9A H 0.3993 0.5611 0.1168 0.052 Uiso 1 1 calc R . . . .
H9B H 0.4201 0.6111 0.1845 0.052 Uiso 1 1 calc R . . . .
C10 C 0.51788(17) 0.6644(3) 0.12714(12) 0.0382(6) Uani 1 1 d . . . . .
H10A H 0.5608 0.6845 0.1609 0.046 Uiso 1 1 calc R . . . .
H10B H 0.4907 0.7512 0.1135 0.046 Uiso 1 1 calc R . . . .
C11 C 0.56625(17) 0.6011(2) 0.07559(11) 0.0355(6) Uani 1 1 d . . . . .
H11A H 0.6150 0.6618 0.0645 0.043 Uiso 1 1 calc R . . . .
H11B H 0.5249 0.5916 0.0400 0.043 Uiso 1 1 calc R . . . .
C12 C 0.60378(15) 0.4622(2) 0.09292(11) 0.0291(5) Uani 1 1 d . . . . .
H12A H 0.6493 0.4729 0.1260 0.035 Uiso 1 1 calc R . . . .
H12B H 0.6326 0.4223 0.0580 0.035 Uiso 1 1 calc R . . . .
C13 C 0.63896(14) 0.1376(2) 0.07417(9) 0.0229(5) Uani 1 1 d . . . . .
H13 H 0.6898 0.2025 0.0762 0.028 Uiso 1 1 calc R . . . .
C14 C 0.67335(17) -0.0057(2) 0.08805(11) 0.0329(6) Uani 1 1 d . . . . .
H14A H 0.7076 -0.0050 0.1271 0.039 Uiso 1 1 calc R . . . .
H14B H 0.6225 -0.0679 0.0918 0.039 Uiso 1 1 calc R . . . .
C15 C 0.73195(16) -0.0582(3) 0.03910(11) 0.0354(6) Uani 1 1 d . . . . .
H15A H 0.7858 -0.0013 0.0381 0.043 Uiso 1 1 calc R . . . .
H15B H 0.7506 -0.1523 0.0488 0.043 Uiso 1 1 calc R . . . .
C16 C 0.68369(16) -0.0557(3) -0.02235(11) 0.0340(6) Uani 1 1 d . . . . .
H16A H 0.7241 -0.0867 -0.0533 0.041 Uiso 1 1 calc R . . . .
H16B H 0.6328 -0.1188 -0.0225 0.041 Uiso 1 1 calc R . . . .
C17 C 0.65114(17) 0.0863(3) -0.03767(10) 0.0363(6) Uani 1 1 d . . . . .
H17A H 0.6162 0.0841 -0.0764 0.044 Uiso 1 1 calc R . . . .
H17B H 0.7026 0.1467 -0.0425 0.044 Uiso 1 1 calc R . . . .
C18 C 0.59395(16) 0.1433(3) 0.01121(10) 0.0307(6) Uani 1 1 d . . . . .
H18A H 0.5380 0.0914 0.0112 0.037 Uiso 1 1 calc R . . . .
H18B H 0.5790 0.2389 0.0014 0.037 Uiso 1 1 calc R . . . .


_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
P1 C6 1.841(2) . ?
P1 C7 1.858(2) . ?
P1 C13 1.857(2) . ?
Si1 H1 1.41(2) . ?
Si1 C1 1.886(2) 2_655 ?
Si1 C1 1.886(2) . ?
C1 C2 1.406(3) . ?
C1 C6 1.406(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.402(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.535(3) . ?
C7 C12 1.528(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.525(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.517(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.523(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.524(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.531(3) . ?
C13 C18 1.529(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.527(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.519(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.516(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.529(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 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
C6 P1 C7 105.41(10) . . ?
C6 P1 C13 101.24(10) . . ?
C13 P1 C7 104.29(10) . . ?
C1 Si1 H1 111.8(9) 2_655 . ?
C1 Si1 H1 105.9(9) . . ?
C1 Si1 C1 114.69(14) 2_655 . ?
C2 C1 Si1 118.04(16) . . ?
C6 C1 Si1 123.24(17) . . ?
C6 C1 C2 118.7(2) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.1(2) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.5(2) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.6(2) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 P1 117.32(17) . . ?
C5 C6 P1 123.94(17) . . ?
C5 C6 C1 118.7(2) . . ?
P1 C7 H7 105.6 . . ?
C8 C7 P1 109.71(16) . . ?
C8 C7 H7 105.6 . . ?
C12 C7 P1 119.65(15) . . ?
C12 C7 H7 105.6 . . ?
C12 C7 C8 109.65(19) . . ?
C7 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 C7 112.0(2) . . ?
C9 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
C8 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 C8 111.5(2) . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C9 C10 C11 111.4(2) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C10 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
C10 C11 C12 111.4(2) . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C7 C12 H12A 109.3 . . ?
C7 C12 H12B 109.3 . . ?
C11 C12 C7 111.40(19) . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
P1 C13 H13 109.1 . . ?
C14 C13 P1 109.23(15) . . ?
C14 C13 H13 109.1 . . ?
C18 C13 P1 109.87(15) . . ?
C18 C13 H13 109.1 . . ?
C18 C13 C14 110.56(19) . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 C13 111.85(19) . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C14 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 C14 111.4(2) . . ?
C16 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 C15 110.8(2) . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
C16 C17 C18 111.6(2) . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C13 C18 H18A 108.9 . . ?
C13 C18 H18B 108.9 . . ?
C17 C18 C13 113.27(19) . . ?
C17 C18 H18A 108.9 . . ?
C17 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?

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
P1 C7 C8 C9 -171.06(17) . . . . ?
P1 C7 C12 C11 175.65(16) . . . . ?
P1 C13 C14 C15 174.04(17) . . . . ?
P1 C13 C18 C17 -172.33(17) . . . . ?
Si1 C1 C2 C3 -179.55(18) . . . . ?
Si1 C1 C6 P1 0.4(3) . . . . ?
Si1 C1 C6 C5 -178.60(17) . . . . ?
C1 Si1 C1 C2 108.82(18) 2_655 . . . ?
C1 Si1 C1 C6 -72.26(17) 2_655 . . . ?
C1 C2 C3 C4 -2.1(4) . . . . ?
C2 C1 C6 P1 179.31(17) . . . . ?
C2 C1 C6 C5 0.3(3) . . . . ?
C2 C3 C4 C5 0.9(4) . . . . ?
C3 C4 C5 C6 0.9(4) . . . . ?
C4 C5 C6 P1 179.58(19) . . . . ?
C4 C5 C6 C1 -1.5(4) . . . . ?
C6 P1 C7 C8 -60.36(18) . . . . ?
C6 P1 C7 C12 67.58(19) . . . . ?
C6 P1 C13 C14 65.68(17) . . . . ?
C6 P1 C13 C18 -172.89(16) . . . . ?
C6 C1 C2 C3 1.5(3) . . . . ?
C7 P1 C6 C1 123.05(17) . . . . ?
C7 P1 C6 C5 -58.0(2) . . . . ?
C7 P1 C13 C14 174.96(16) . . . . ?
C7 P1 C13 C18 -63.62(18) . . . . ?
C7 C8 C9 C10 -55.0(3) . . . . ?
C8 C7 C12 C11 -56.4(3) . . . . ?
C8 C9 C10 C11 54.0(3) . . . . ?
C9 C10 C11 C12 -55.0(3) . . . . ?
C10 C11 C12 C7 56.7(3) . . . . ?
C12 C7 C8 C9 55.6(3) . . . . ?
C13 P1 C6 C1 -128.55(17) . . . . ?
C13 P1 C6 C5 50.4(2) . . . . ?
C13 P1 C7 C8 -166.55(16) . . . . ?
C13 P1 C7 C12 -38.6(2) . . . . ?
C13 C14 C15 C16 -56.5(3) . . . . ?
C14 C13 C18 C17 -51.7(3) . . . . ?
C14 C15 C16 C17 56.9(3) . . . . ?
C15 C16 C17 C18 -54.9(3) . . . . ?
C16 C17 C18 C13 53.2(3) . . . . ?
C18 C13 C14 C15 53.0(3) . . . . ?

####################################################################### 
# 
# 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_TfO1-Ph
_database_code_depnum_ccdc_archive 'CCDC 1444625'
_audit_update_record             
;
2015-12-28 deposited with the CCDC.
2016-01-26 downloaded from the CCDC.
;
_audit_creation_date             2015-12-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H36 F3 O3 P2 Rh S Si'
_chemical_formula_sum            'C44 H36 F3 O3 P2 Rh S Si'
_chemical_formula_weight         894.73
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.9558(12)
_cell_length_b                   16.9365(18)
_cell_length_c                   20.550(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.203(7)
_cell_angle_gamma                90
_cell_volume                     3790.8(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    29080
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.59
_cell_measurement_theta_min      3.04
_shelx_estimated_absorpt_T_max   0.948
_shelx_estimated_absorpt_T_min   0.838
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08

_diffrn_reflns_av_R_equivalents  0.0919
_diffrn_reflns_av_unetI/netI     0.0707
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35554
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         3.047
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 6.849
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075

_reflns_number_gt                5862
_reflns_number_total             7747
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r13'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r13'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r13'
_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    'SIR2004 (Burla, et al., 2005)'
_refine_diff_density_max         0.688
_refine_diff_density_min         -0.627
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         7747
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0516
_refine_ls_restrained_S_all      1.051
_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)+(0.0443P)²+0.4525P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1067
_refine_special_details          
;
The triflate unit suffered from disorder about two positions, so the triflates
were refined using SAME restraints.
;

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.76131(3) 0.18933(2) 0.23089(2) 0.02184(10) Uani 1 1 d . . . . .
P1 P 0.93334(8) 0.12666(6) 0.19799(5) 0.0228(2) Uani 1 1 d . . . . .
P2 P 0.62731(9) 0.11837(6) 0.28990(5) 0.0227(2) Uani 1 1 d . . . . .
Si1 Si 0.66576(9) 0.12169(6) 0.14614(5) 0.0236(2) Uani 1 1 d . . . . .
O1 O 0.5829(2) 0.17318(17) 0.07969(14) 0.0368(7) Uani 1 1 d . . . . .
C1 C 0.7708(3) 0.0552(2) 0.10490(18) 0.0261(9) Uani 1 1 d . . . . .
C2 C 0.7356(4) 0.0030(3) 0.0532(2) 0.0362(10) Uani 1 1 d . . . . .
H2 H 0.6528 0.0025 0.0338 0.043 Uiso 1 1 calc R . . . .
C3 C 0.8197(4) -0.0477(3) 0.0300(2) 0.0394(11) Uani 1 1 d . . . . .
H3 H 0.7948 -0.0827 -0.0051 0.047 Uiso 1 1 calc R . . . .
C4 C 0.9404(4) -0.0476(2) 0.0581(2) 0.0380(11) Uani 1 1 d . . . . .
H4 H 0.9979 -0.0828 0.0423 0.046 Uiso 1 1 calc R . . . .
C5 C 0.9779(4) 0.0033(2) 0.10875(19) 0.0305(9) Uani 1 1 d . . . . .
H5 H 1.0612 0.0038 0.1272 0.037 Uiso 1 1 calc R . . . .
C6 C 0.8928(3) 0.0542(2) 0.13290(18) 0.0253(8) Uani 1 1 d . . . . .
C7 C 0.5318(3) 0.0625(2) 0.16900(19) 0.0251(8) Uani 1 1 d . . . . .
C8 C 0.4476(4) 0.0231(2) 0.1244(2) 0.0324(10) Uani 1 1 d . . . . .
H8 H 0.4545 0.0270 0.0788 0.039 Uiso 1 1 calc R . . . .
C9 C 0.3541(4) -0.0216(2) 0.1461(2) 0.0351(10) Uani 1 1 d . . . . .
H9 H 0.2986 -0.0493 0.1155 0.042 Uiso 1 1 calc R . . . .
C10 C 0.3417(4) -0.0260(2) 0.2122(2) 0.0371(11) Uani 1 1 d . . . . .
H10 H 0.2773 -0.0565 0.2270 0.045 Uiso 1 1 calc R . . . .
C11 C 0.4231(3) 0.0141(2) 0.2568(2) 0.0316(9) Uani 1 1 d . . . . .
H11 H 0.4132 0.0117 0.3021 0.038 Uiso 1 1 calc R . . . .
C12 C 0.5191(3) 0.0581(2) 0.23611(19) 0.0251(9) Uani 1 1 d . . . . .
C13 C 1.0471(3) 0.1870(2) 0.15872(18) 0.0246(8) Uani 1 1 d . . . . .
C14 C 1.0063(4) 0.2539(3) 0.1246(2) 0.0383(11) Uani 1 1 d . . . . .
H14 H 0.9227 0.2692 0.1237 0.046 Uiso 1 1 calc R . . . .
C15 C 1.0851(4) 0.2989(3) 0.0917(2) 0.0465(12) Uani 1 1 d . . . . .
H15 H 1.0556 0.3451 0.0690 0.056 Uiso 1 1 calc R . . . .
C16 C 1.2059(4) 0.2770(3) 0.0919(2) 0.0394(11) Uani 1 1 d . . . . .
H16 H 1.2605 0.3082 0.0698 0.047 Uiso 1 1 calc R . . . .
C17 C 1.2470(4) 0.2094(3) 0.1245(2) 0.0352(10) Uani 1 1 d . . . . .
H17 H 1.3299 0.1932 0.1238 0.042 Uiso 1 1 calc R . . . .
C18 C 1.1691(3) 0.1649(2) 0.1581(2) 0.0314(10) Uani 1 1 d . . . . .
H18 H 1.1990 0.1189 0.1810 0.038 Uiso 1 1 calc R . . . .
C19 C 1.0345(3) 0.0720(2) 0.25937(18) 0.0250(8) Uani 1 1 d . . . . .
C20 C 1.0253(4) -0.0094(2) 0.26786(19) 0.0302(9) Uani 1 1 d . . . . .
H20 H 0.9700 -0.0391 0.2386 0.036 Uiso 1 1 calc R . . . .
C21 C 1.0958(4) -0.0476(3) 0.3185(2) 0.0365(10) Uani 1 1 d . . . . .
H21 H 1.0887 -0.1032 0.3233 0.044 Uiso 1 1 calc R . . . .
C22 C 1.1762(4) -0.0057(3) 0.3619(2) 0.0373(11) Uani 1 1 d . . . . .
H22 H 1.2235 -0.0320 0.3968 0.045 Uiso 1 1 calc R . . . .
C23 C 1.1871(4) 0.0752(2) 0.35392(19) 0.0316(9) Uani 1 1 d . . . . .
H23 H 1.2429 0.1047 0.3831 0.038 Uiso 1 1 calc R . . . .
C24 C 1.1163(3) 0.1130(2) 0.30332(18) 0.0274(9) Uani 1 1 d . . . . .
H24 H 1.1239 0.1685 0.2985 0.033 Uiso 1 1 calc R . . . .
C25 C 0.5177(3) 0.1802(2) 0.3284(2) 0.0276(9) Uani 1 1 d . . . . .
C26 C 0.4215(3) 0.2148(2) 0.2893(2) 0.0323(10) Uani 1 1 d . . . . .
H26 H 0.4110 0.2028 0.2438 0.039 Uiso 1 1 calc R . . . .
C27 C 0.3404(4) 0.2662(2) 0.3142(3) 0.0473(13) Uani 1 1 d . . . . .
H27 H 0.2763 0.2900 0.2861 0.057 Uiso 1 1 calc R . . . .
C28 C 0.3534(5) 0.2825(3) 0.3803(3) 0.0541(14) Uani 1 1 d . . . . .
H28 H 0.2975 0.3171 0.3982 0.065 Uiso 1 1 calc R . . . .
C29 C 0.4477(5) 0.2485(3) 0.4204(3) 0.0496(13) Uani 1 1 d . . . . .
H29 H 0.4559 0.2593 0.4661 0.059 Uiso 1 1 calc R . . . .
C30 C 0.5310(4) 0.1985(2) 0.3948(2) 0.0378(10) Uani 1 1 d . . . . .
H30 H 0.5972 0.1767 0.4228 0.045 Uiso 1 1 calc R . . . .
C31 C 0.6860(4) 0.0544(2) 0.35859(18) 0.0281(9) Uani 1 1 d . . . . .
C32 C 0.6111(5) 0.0154(3) 0.3992(2) 0.0587(15) Uani 1 1 d . . . . .
H32 H 0.5244 0.0205 0.3915 0.070 Uiso 1 1 calc R . . . .
C33 C 0.6634(5) -0.0309(3) 0.4509(2) 0.0572(14) Uani 1 1 d . . . . .
H33 H 0.6120 -0.0582 0.4778 0.069 Uiso 1 1 calc R . . . .
C34 C 0.7881(5) -0.0374(3) 0.4632(2) 0.0517(13) Uani 1 1 d . . . . .
H34 H 0.8233 -0.0696 0.4982 0.062 Uiso 1 1 calc R . . . .
C35 C 0.8617(5) 0.0025(4) 0.4252(2) 0.0622(16) Uani 1 1 d . . . . .
H35 H 0.9484 -0.0009 0.4345 0.075 Uiso 1 1 calc R . . . .
C36 C 0.8110(4) 0.0482(3) 0.3729(2) 0.0428(12) Uani 1 1 d . . . . .
H36 H 0.8636 0.0755 0.3467 0.051 Uiso 1 1 calc R . . . .
C37 C 0.6572(4) 0.3004(2) 0.2287(2) 0.0323(10) Uani 1 1 d . . . . .
H37 H 0.5706 0.3043 0.2080 0.039 Uiso 1 1 calc R . . . .
C38 C 0.7569(4) 0.3117(2) 0.1934(2) 0.0347(10) Uani 1 1 d . . . . .
H38 H 0.7471 0.3241 0.1456 0.042 Uiso 1 1 calc R . . . .
C39 C 0.8589(4) 0.3486(3) 0.2413(2) 0.0427(12) Uani 1 1 d . . . . .
H39 H 0.9283 0.3751 0.2221 0.051 Uiso 1 1 calc R . . . .
C40 C 0.7829(4) 0.3992(3) 0.2839(3) 0.0514(14) Uani 1 1 d . . . . .
H40A H 0.7392 0.4429 0.2593 0.062 Uiso 1 1 calc R . . . .
H40B H 0.8316 0.4196 0.3237 0.062 Uiso 1 1 calc R . . . .
C41 C 0.6967(4) 0.3308(2) 0.2985(2) 0.0374(11) Uani 1 1 d . . . . .
H41 H 0.6303 0.3427 0.3268 0.045 Uiso 1 1 calc R . . . .
C42 C 0.7935(4) 0.2690(2) 0.3237(2) 0.0361(10) Uani 1 1 d . . . . .
H42 H 0.8014 0.2477 0.3694 0.043 Uiso 1 1 calc R . . . .
C43 C 0.8911(4) 0.2798(3) 0.2888(2) 0.0379(11) Uani 1 1 d . . . . .
H43 H 0.9773 0.2668 0.3066 0.046 Uiso 1 1 calc R . . . .
S1A S 0.62465(17) 0.20520(13) 0.01456(10) 0.0317(7) Uani 0.567(4) 1 d D . P A 1
F1A F 0.5167(12) 0.3139(6) -0.0567(4) 0.060(3) Uani 0.567(4) 1 d D . P A 1
F2A F 0.3929(8) 0.2359(7) -0.0114(5) 0.051(3) Uani 0.567(4) 1 d D . P A 1
F3A F 0.4922(8) 0.3245(6) 0.0452(4) 0.053(2) Uani 0.567(4) 1 d D . P A 1
O2A O 0.7304(12) 0.261(2) 0.0281(15) 0.051(5) Uani 0.567(4) 1 d D . P A 1
O3A O 0.6114(8) 0.1484(5) -0.0362(4) 0.052(2) Uani 0.567(4) 1 d D . P A 1
C44A C 0.4984(6) 0.2743(5) -0.0028(4) 0.0352(19) Uani 0.567(4) 1 d D . P A 1
S1B S 0.5952(2) 0.24838(17) 0.04514(13) 0.0316(10) Uani 0.433(4) 1 d D . P A 2
F1B F 0.5125(17) 0.2816(8) -0.0734(6) 0.077(5) Uani 0.433(4) 1 d D . P A 2
F2B F 0.3918(11) 0.2072(10) -0.0263(8) 0.057(4) Uani 0.433(4) 1 d D . P A 2
F3B F 0.5541(9) 0.1586(7) -0.0567(5) 0.073(3) Uani 0.433(4) 1 d D . P A 2
O2B O 0.7232(14) 0.247(3) 0.0266(17) 0.045(8) Uani 0.433(4) 1 d D . P A 2
O3B O 0.5307(12) 0.3128(9) 0.0695(7) 0.056(4) Uani 0.433(4) 1 d D . P A 2
C44B C 0.5086(9) 0.2208(7) -0.0320(5) 0.045(3) Uani 0.433(4) 1 d D . P A 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 P1 2.3262(10) . ?
Rh1 P2 2.3356(10) . ?
Rh1 Si1 2.2467(11) . ?
Rh1 C37 2.198(4) . ?
Rh1 C38 2.209(4) . ?
Rh1 C42 2.333(4) . ?
Rh1 C43 2.328(4) . ?
P1 C6 1.834(4) . ?
P1 C13 1.862(4) . ?
P1 C19 1.837(4) . ?
P2 C12 1.841(4) . ?
P2 C25 1.835(4) . ?
P2 C31 1.840(4) . ?
Si1 O1 1.783(3) . ?
Si1 C1 1.876(4) . ?
Si1 C7 1.878(4) . ?
O1 S1A 1.558(3) . ?
O1 S1B 1.471(4) . ?
C1 C2 1.405(5) . ?
C1 C6 1.398(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.399(5) . ?
C7 C8 1.398(5) . ?
C7 C12 1.403(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.392(5) . ?
C13 C14 1.381(5) . ?
C13 C18 1.389(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.381(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.374(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.394(5) . ?
C19 C24 1.389(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.387(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.380(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.385(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.385(5) . ?
C25 C30 1.392(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.382(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.379(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.376(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.397(6) . ?
C31 C36 1.373(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.367(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.361(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.391(6) . ?
C36 H36 0.9500 . ?
C37 H37 1.0000 . ?
C37 C38 1.388(5) . ?
C37 C41 1.541(6) . ?
C38 H38 1.0000 . ?
C38 C39 1.540(6) . ?
C39 H39 1.0000 . ?
C39 C40 1.533(6) . ?
C39 C43 1.537(7) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.544(6) . ?
C41 H41 1.0000 . ?
C41 C42 1.539(6) . ?
C42 H42 1.0000 . ?
C42 C43 1.363(6) . ?
C43 H43 1.0000 . ?
S1A O2A 1.50(2) . ?
S1A O3A 1.414(8) . ?
S1A C44A 1.818(8) . ?
F1A C44A 1.329(10) . ?
F2A C44A 1.322(9) . ?
F3A C44A 1.309(11) . ?
S1B O2B 1.49(2) . ?
S1B O3B 1.420(13) . ?
S1B C44B 1.818(9) . ?
F1B C44B 1.339(12) . ?
F2B C44B 1.317(12) . ?
F3B C44B 1.293(13) . ?

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
P1 Rh1 P2 119.38(4) . . ?
P1 Rh1 C42 116.50(11) . . ?
P1 Rh1 C43 88.84(11) . . ?
Si1 Rh1 P1 82.32(4) . . ?
Si1 Rh1 P2 82.74(4) . . ?
Si1 Rh1 C42 161.03(11) . . ?
Si1 Rh1 C43 159.99(12) . . ?
C37 Rh1 P1 145.04(11) . . ?
C37 Rh1 P2 95.57(11) . . ?
C37 Rh1 Si1 102.91(12) . . ?
C37 Rh1 C38 36.71(14) . . ?
C37 Rh1 C42 63.48(16) . . ?
C37 Rh1 C43 74.57(16) . . ?
C38 Rh1 P1 108.34(11) . . ?
C38 Rh1 P2 132.24(11) . . ?
C38 Rh1 Si1 102.54(12) . . ?
C38 Rh1 C42 74.82(16) . . ?
C38 Rh1 C43 63.28(16) . . ?
C42 Rh1 P2 85.47(11) . . ?
C43 Rh1 P2 117.16(11) . . ?
C43 Rh1 C42 34.00(14) . . ?
C6 P1 Rh1 112.18(12) . . ?
C6 P1 C13 99.90(17) . . ?
C6 P1 C19 104.09(17) . . ?
C13 P1 Rh1 118.48(12) . . ?
C19 P1 Rh1 118.55(12) . . ?
C19 P1 C13 101.08(17) . . ?
C12 P2 Rh1 111.96(13) . . ?
C25 P2 Rh1 114.04(12) . . ?
C25 P2 C12 99.58(17) . . ?
C25 P2 C31 101.32(18) . . ?
C31 P2 Rh1 120.94(13) . . ?
C31 P2 C12 106.45(18) . . ?
O1 Si1 Rh1 120.01(11) . . ?
O1 Si1 C1 103.51(16) . . ?
O1 Si1 C7 96.08(15) . . ?
C1 Si1 Rh1 113.51(12) . . ?
C1 Si1 C7 109.06(17) . . ?
C7 Si1 Rh1 112.92(13) . . ?
S1A O1 Si1 130.98(19) . . ?
S1B O1 Si1 136.7(2) . . ?
C2 C1 Si1 126.0(3) . . ?
C6 C1 Si1 115.3(3) . . ?
C6 C1 C2 118.4(4) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.9(4) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.9(4) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(4) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 P1 115.9(3) . . ?
C1 C6 C5 120.4(4) . . ?
C5 C6 P1 123.6(3) . . ?
C8 C7 Si1 124.7(3) . . ?
C8 C7 C12 119.4(4) . . ?
C12 C7 Si1 116.0(3) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.5(4) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(4) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(4) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.8(4) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 P2 115.8(3) . . ?
C11 C12 P2 124.9(3) . . ?
C11 C12 C7 119.2(3) . . ?
C14 C13 P1 118.4(3) . . ?
C14 C13 C18 118.4(4) . . ?
C18 C13 P1 123.1(3) . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.0(4) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(4) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.4 . . ?
C15 C16 C17 119.3(4) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.7(4) . . ?
C18 C17 H17 119.7 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.4(4) . . ?
C17 C18 H18 119.8 . . ?
C20 C19 P1 122.6(3) . . ?
C24 C19 P1 119.5(3) . . ?
C24 C19 C20 117.6(4) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.3 . . ?
C21 C22 C23 119.3(4) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.7(4) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 119.1 . . ?
C23 C24 C19 121.8(4) . . ?
C23 C24 H24 119.1 . . ?
C26 C25 P2 118.9(3) . . ?
C26 C25 C30 117.9(4) . . ?
C30 C25 P2 123.1(3) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 C25 122.0(4) . . ?
C27 C26 H26 119.0 . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.3(5) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.9(4) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.6(5) . . ?
C30 C29 H29 119.7 . . ?
C25 C30 H30 119.9 . . ?
C29 C30 C25 120.3(4) . . ?
C29 C30 H30 119.9 . . ?
C32 C31 P2 123.8(3) . . ?
C36 C31 P2 117.8(3) . . ?
C36 C31 C32 118.2(4) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.1(5) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.8 . . ?
C34 C33 C32 120.4(5) . . ?
C34 C33 H33 119.8 . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.8(4) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.5(5) . . ?
C36 C35 H35 119.7 . . ?
C31 C36 C35 120.9(4) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
Rh1 C37 H37 122.2 . . ?
C38 C37 Rh1 72.1(2) . . ?
C38 C37 H37 122.2 . . ?
C38 C37 C41 106.5(4) . . ?
C41 C37 Rh1 100.0(3) . . ?
C41 C37 H37 122.2 . . ?
Rh1 C38 H38 122.4 . . ?
C37 C38 Rh1 71.2(2) . . ?
C37 C38 H38 122.4 . . ?
C37 C38 C39 106.2(4) . . ?
C39 C38 Rh1 99.8(3) . . ?
C39 C38 H38 122.4 . . ?
C38 C39 H39 117.3 . . ?
C40 C39 C38 101.0(3) . . ?
C40 C39 H39 117.3 . . ?
C40 C39 C43 99.3(4) . . ?
C43 C39 C38 101.5(3) . . ?
C43 C39 H39 117.3 . . ?
C39 C40 H40A 112.9 . . ?
C39 C40 H40B 112.9 . . ?
C39 C40 C41 94.2(3) . . ?
H40A C40 H40B 110.3 . . ?
C41 C40 H40A 112.9 . . ?
C41 C40 H40B 112.9 . . ?
C37 C41 C40 100.7(4) . . ?
C37 C41 H41 117.4 . . ?
C40 C41 H41 117.4 . . ?
C42 C41 C37 101.6(3) . . ?
C42 C41 C40 99.3(3) . . ?
C42 C41 H41 117.4 . . ?
Rh1 C42 H42 123.3 . . ?
C41 C42 Rh1 94.6(3) . . ?
C41 C42 H42 123.3 . . ?
C43 C42 Rh1 72.8(2) . . ?
C43 C42 C41 106.4(4) . . ?
C43 C42 H42 123.3 . . ?
Rh1 C43 H43 122.8 . . ?
C39 C43 Rh1 95.1(3) . . ?
C39 C43 H43 122.8 . . ?
C42 C43 Rh1 73.2(2) . . ?
C42 C43 C39 107.3(4) . . ?
C42 C43 H43 122.8 . . ?
O1 S1A C44A 96.0(3) . . ?
O2A S1A O1 110.7(11) . . ?
O2A S1A C44A 100.7(14) . . ?
O3A S1A O1 112.3(4) . . ?
O3A S1A O2A 125.6(15) . . ?
O3A S1A C44A 106.2(4) . . ?
F1A C44A S1A 108.0(7) . . ?
F2A C44A S1A 110.2(7) . . ?
F2A C44A F1A 110.2(8) . . ?
F3A C44A S1A 111.7(6) . . ?
F3A C44A F1A 109.0(8) . . ?
F3A C44A F2A 107.7(8) . . ?
O1 S1B O2B 104.4(17) . . ?
O1 S1B C44B 97.6(4) . . ?
O2B S1B C44B 101.0(15) . . ?
O3B S1B O1 114.8(8) . . ?
O3B S1B O2B 128(2) . . ?
O3B S1B C44B 105.8(6) . . ?
F1B C44B S1B 107.9(8) . . ?
F2B C44B S1B 112.9(9) . . ?
F2B C44B F1B 106.8(13) . . ?
F3B C44B S1B 111.4(8) . . ?
F3B C44B F1B 109.7(12) . . ?
F3B C44B F2B 108.1(11) . . ?

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 P1 C6 C1 10.0(3) . . . . ?
Rh1 P1 C6 C5 -173.8(3) . . . . ?
Rh1 P1 C13 C14 -28.3(4) . . . . ?
Rh1 P1 C13 C18 156.6(3) . . . . ?
Rh1 P1 C19 C20 96.7(3) . . . . ?
Rh1 P1 C19 C24 -77.4(3) . . . . ?
Rh1 P2 C12 C7 0.3(3) . . . . ?
Rh1 P2 C12 C11 -175.1(3) . . . . ?
Rh1 P2 C25 C26 73.0(3) . . . . ?
Rh1 P2 C25 C30 -102.6(3) . . . . ?
Rh1 P2 C31 C32 174.6(3) . . . . ?
Rh1 P2 C31 C36 -1.6(4) . . . . ?
Rh1 Si1 O1 S1A 90.5(3) . . . . ?
Rh1 Si1 O1 S1B 34.4(4) . . . . ?
Rh1 Si1 C1 C2 176.3(3) . . . . ?
Rh1 Si1 C1 C6 1.9(3) . . . . ?
Rh1 Si1 C7 C8 171.7(3) . . . . ?
Rh1 Si1 C7 C12 -9.1(3) . . . . ?
Rh1 C37 C38 C39 -95.1(3) . . . . ?
Rh1 C37 C41 C40 107.2(3) . . . . ?
Rh1 C37 C41 C42 5.3(3) . . . . ?
Rh1 C38 C39 C40 -107.1(3) . . . . ?
Rh1 C38 C39 C43 -5.1(3) . . . . ?
Rh1 C42 C43 C39 90.2(3) . . . . ?
P1 C13 C14 C15 -176.8(4) . . . . ?
P1 C13 C18 C17 175.6(3) . . . . ?
P1 C19 C20 C21 -174.2(3) . . . . ?
P1 C19 C24 C23 174.5(3) . . . . ?
P2 C25 C26 C27 -175.6(3) . . . . ?
P2 C25 C30 C29 177.2(3) . . . . ?
P2 C31 C32 C33 -178.9(4) . . . . ?
P2 C31 C36 C35 178.3(4) . . . . ?
Si1 O1 S1A O2A -57.1(16) . . . . ?
Si1 O1 S1A O3A 88.8(4) . . . . ?
Si1 O1 S1A C44A -160.9(3) . . . . ?
Si1 O1 S1B O2B 52.3(18) . . . . ?
Si1 O1 S1B O3B -92.9(7) . . . . ?
Si1 O1 S1B C44B 155.8(4) . . . . ?
Si1 C1 C2 C3 -174.8(3) . . . . ?
Si1 C1 C6 P1 -7.5(4) . . . . ?
Si1 C1 C6 C5 176.2(3) . . . . ?
Si1 C7 C8 C9 177.6(3) . . . . ?
Si1 C7 C12 P2 5.4(4) . . . . ?
Si1 C7 C12 C11 -179.0(3) . . . . ?
O1 Si1 C1 C2 -52.0(4) . . . . ?
O1 Si1 C1 C6 133.6(3) . . . . ?
O1 Si1 C7 C8 45.4(3) . . . . ?
O1 Si1 C7 C12 -135.3(3) . . . . ?
O1 S1A C44A F1A 176.8(6) . . . . ?
O1 S1A C44A F2A -62.8(7) . . . . ?
O1 S1A C44A F3A 56.9(7) . . . . ?
O1 S1B C44B F1B -177.3(11) . . . . ?
O1 S1B C44B F2B 65.0(11) . . . . ?
O1 S1B C44B F3B -56.9(9) . . . . ?
C1 Si1 O1 S1A -37.3(3) . . . . ?
C1 Si1 O1 S1B -93.3(3) . . . . ?
C1 Si1 C7 C8 -61.2(4) . . . . ?
C1 Si1 C7 C12 118.1(3) . . . . ?
C1 C2 C3 C4 0.2(7) . . . . ?
C2 C1 C6 P1 177.7(3) . . . . ?
C2 C1 C6 C5 1.3(6) . . . . ?
C2 C3 C4 C5 -0.5(7) . . . . ?
C3 C4 C5 C6 1.3(6) . . . . ?
C4 C5 C6 P1 -177.7(3) . . . . ?
C4 C5 C6 C1 -1.7(6) . . . . ?
C6 P1 C13 C14 93.8(3) . . . . ?
C6 P1 C13 C18 -81.4(4) . . . . ?
C6 P1 C19 C20 -28.8(4) . . . . ?
C6 P1 C19 C24 157.2(3) . . . . ?
C6 C1 C2 C3 -0.6(6) . . . . ?
C7 Si1 O1 S1A -148.6(3) . . . . ?
C7 Si1 O1 S1B 155.4(3) . . . . ?
C7 Si1 C1 C2 49.5(4) . . . . ?
C7 Si1 C1 C6 -124.9(3) . . . . ?
C7 C8 C9 C10 1.6(6) . . . . ?
C8 C7 C12 P2 -175.4(3) . . . . ?
C8 C7 C12 C11 0.3(5) . . . . ?
C8 C9 C10 C11 -0.3(6) . . . . ?
C9 C10 C11 C12 -1.1(6) . . . . ?
C10 C11 C12 P2 176.3(3) . . . . ?
C10 C11 C12 C7 1.0(6) . . . . ?
C12 P2 C25 C26 -46.4(3) . . . . ?
C12 P2 C25 C30 138.0(3) . . . . ?
C12 P2 C31 C32 -56.2(4) . . . . ?
C12 P2 C31 C36 127.5(3) . . . . ?
C12 C7 C8 C9 -1.6(6) . . . . ?
C13 P1 C6 C1 -116.5(3) . . . . ?
C13 P1 C6 C5 59.7(4) . . . . ?
C13 P1 C19 C20 -132.1(3) . . . . ?
C13 P1 C19 C24 53.9(3) . . . . ?
C13 C14 C15 C16 0.8(7) . . . . ?
C14 C13 C18 C17 0.5(6) . . . . ?
C14 C15 C16 C17 0.8(7) . . . . ?
C15 C16 C17 C18 -1.7(7) . . . . ?
C16 C17 C18 C13 1.1(6) . . . . ?
C18 C13 C14 C15 -1.4(6) . . . . ?
C19 P1 C6 C1 139.3(3) . . . . ?
C19 P1 C6 C5 -44.4(4) . . . . ?
C19 P1 C13 C14 -159.6(3) . . . . ?
C19 P1 C13 C18 25.2(4) . . . . ?
C19 C20 C21 C22 0.4(6) . . . . ?
C20 C19 C24 C23 0.2(6) . . . . ?
C20 C21 C22 C23 -0.8(6) . . . . ?
C21 C22 C23 C24 0.9(6) . . . . ?
C22 C23 C24 C19 -0.6(6) . . . . ?
C24 C19 C20 C21 -0.1(6) . . . . ?
C25 P2 C12 C7 121.2(3) . . . . ?
C25 P2 C12 C11 -54.2(4) . . . . ?
C25 P2 C31 C32 47.4(4) . . . . ?
C25 P2 C31 C36 -128.8(3) . . . . ?
C25 C26 C27 C28 -1.5(6) . . . . ?
C26 C25 C30 C29 1.5(6) . . . . ?
C26 C27 C28 C29 1.0(7) . . . . ?
C27 C28 C29 C30 0.8(7) . . . . ?
C28 C29 C30 C25 -2.0(7) . . . . ?
C30 C25 C26 C27 0.2(6) . . . . ?
C31 P2 C12 C7 -133.9(3) . . . . ?
C31 P2 C12 C11 50.7(4) . . . . ?
C31 P2 C25 C26 -155.5(3) . . . . ?
C31 P2 C25 C30 28.9(4) . . . . ?
C31 C32 C33 C34 1.3(8) . . . . ?
C32 C31 C36 C35 1.8(7) . . . . ?
C32 C33 C34 C35 0.8(8) . . . . ?
C33 C34 C35 C36 -1.6(8) . . . . ?
C34 C35 C36 C31 0.3(8) . . . . ?
C36 C31 C32 C33 -2.6(7) . . . . ?
C37 C38 C39 C40 -34.0(4) . . . . ?
C37 C38 C39 C43 68.0(4) . . . . ?
C37 C41 C42 Rh1 -5.0(3) . . . . ?
C37 C41 C42 C43 68.5(4) . . . . ?
C38 C37 C41 C40 33.1(4) . . . . ?
C38 C37 C41 C42 -68.8(4) . . . . ?
C38 C39 C40 C41 51.4(4) . . . . ?
C38 C39 C43 Rh1 4.8(3) . . . . ?
C38 C39 C43 C42 -69.1(4) . . . . ?
C39 C40 C41 C37 -51.0(4) . . . . ?
C39 C40 C41 C42 52.7(4) . . . . ?
C40 C39 C43 Rh1 108.1(3) . . . . ?
C40 C39 C43 C42 34.2(4) . . . . ?
C40 C41 C42 Rh1 -108.0(3) . . . . ?
C40 C41 C42 C43 -34.5(4) . . . . ?
C41 C37 C38 Rh1 95.5(3) . . . . ?
C41 C37 C38 C39 0.4(4) . . . . ?
C41 C42 C43 Rh1 -89.8(3) . . . . ?
C41 C42 C43 C39 0.4(4) . . . . ?
C43 C39 C40 C41 -52.3(4) . . . . ?
O2A S1A C44A F1A 64.4(14) . . . . ?
O2A S1A C44A F2A -175.2(14) . . . . ?
O2A S1A C44A F3A -55.5(14) . . . . ?
O3A S1A C44A F1A -67.8(7) . . . . ?
O3A S1A C44A F2A 52.6(8) . . . . ?
O3A S1A C44A F3A 172.3(7) . . . . ?
O2B S1B C44B F1B -71(2) . . . . ?
O2B S1B C44B F2B 171(2) . . . . ?
O2B S1B C44B F3B 49(2) . . . . ?
O3B S1B C44B F1B 64.2(14) . . . . ?
O3B S1B C44B F2B -53.5(14) . . . . ?
O3B S1B C44B F3B -175.4(11) . . . . ?

####################################################################### 
# 
# 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_TfO1-Cy
_database_code_depnum_ccdc_archive 'CCDC 1444626'
_audit_update_record             
;
2015-12-28 deposited with the CCDC.
2016-01-26 downloaded from the CCDC.
;
_audit_creation_date             2015-12-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H60 F3 O3 P2 Rh S Si'
_chemical_formula_sum            'C44 H60 F3 O3 P2 Rh S Si'
_chemical_formula_weight         918.92
_chemical_absolute_configuration ?
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   11.5434(5)
_cell_length_b                   17.6337(7)
_cell_length_c                   20.4488(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4162.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1069
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      23.3021
_cell_measurement_theta_min      2.0310
_shelx_estimated_absorpt_T_max   0.953
_shelx_estimated_absorpt_T_min   0.803
_exptl_absorpt_coefficient_mu    0.620
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.45
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
Krause, L.; Herbst-Irmer, R.; Sheldrick, G. M.; Stalke, D. (2015). J. Appl.
Cryst. 48, 3-10.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.371
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.078
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            74846
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         2.901
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 QUEST diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_source_type              'Siemens KFFMo2K-90'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.800
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                7374
_reflns_number_total             8519
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SIR2004 (Burla, et al., 2005)'
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.085
_refine_ls_abs_structure_details 
;
 Flack x determined using 2896 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.138(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         8519
_refine_ls_number_restraints     382
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0384
_refine_ls_restrained_S_all      1.047
_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)+(0.0285P)²+2.0805P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0724
_refine_special_details          
;
the following SHELXL restraints were applied during structure refinement:
RIGU to all carbon atoms
DELU to all carbon atoms
ISOR to C18, C23, and C43
;

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.50869(3) 0.33324(2) 0.74541(2) 0.00564(9) Uani 1 1 d . . . . .
S1 S 0.09729(10) 0.33771(8) 0.71616(6) 0.0120(3) Uani 1 1 d . . . . .
P1 P 0.53641(12) 0.39169(8) 0.84841(6) 0.0072(3) Uani 1 1 d . . . . .
P2 P 0.52502(12) 0.39948(8) 0.64603(6) 0.0062(3) Uani 1 1 d . . . . .
Si1 Si 0.33936(9) 0.39606(6) 0.75028(8) 0.0068(2) Uani 1 1 d . . . . .
F1 F 0.0263(3) 0.25332(19) 0.81279(15) 0.0348(9) Uani 1 1 d . . . . .
F2 F -0.0618(3) 0.2352(2) 0.72169(17) 0.0413(10) Uani 1 1 d . . . . .
F3 F 0.1095(3) 0.19170(16) 0.73585(17) 0.0329(9) Uani 1 1 d . . . . .
O1 O 0.2135(2) 0.33615(17) 0.75018(17) 0.0138(6) Uani 1 1 d . . . . .
O2 O 0.0231(3) 0.39550(19) 0.74063(19) 0.0232(9) Uani 1 1 d . . . . .
O3 O 0.1068(3) 0.3272(2) 0.64771(16) 0.0211(9) Uani 1 1 d . . . . .
C1 C 0.3157(5) 0.4493(3) 0.8292(2) 0.0081(11) Uani 1 1 d . U . . .
C2 C 0.2150(5) 0.4876(3) 0.8478(2) 0.0129(11) Uani 1 1 d . U . . .
H2 H 0.1478 0.4844 0.8211 0.015 Uiso 1 1 calc R . . . .
C3 C 0.2119(5) 0.5302(3) 0.9047(2) 0.0148(12) Uani 1 1 d . U . . .
H3 H 0.1427 0.5556 0.9169 0.018 Uiso 1 1 calc R . . . .
C4 C 0.3098(5) 0.5359(3) 0.9439(2) 0.0144(12) Uani 1 1 d . U . . .
H4 H 0.3084 0.5668 0.9819 0.017 Uiso 1 1 calc R . . . .
C5 C 0.4087(5) 0.4967(3) 0.9276(2) 0.0116(11) Uani 1 1 d . U . . .
H5 H 0.4747 0.4995 0.9552 0.014 Uiso 1 1 calc R . . . .
C6 C 0.4128(5) 0.4528(3) 0.8706(2) 0.0069(11) Uani 1 1 d . U . . .
C7 C 0.3147(5) 0.4633(3) 0.6796(2) 0.0086(11) Uani 1 1 d . U . . .
C8 C 0.2192(4) 0.5106(3) 0.6702(2) 0.0096(11) Uani 1 1 d . U . . .
H8 H 0.1569 0.5091 0.7006 0.011 Uiso 1 1 calc R . . . .
C9 C 0.2135(5) 0.5598(3) 0.6172(3) 0.0132(12) Uani 1 1 d . U . . .
H9 H 0.1475 0.5912 0.6114 0.016 Uiso 1 1 calc R . . . .
C10 C 0.3035(5) 0.5630(3) 0.5732(2) 0.0127(11) Uani 1 1 d . U . . .
H10 H 0.2997 0.5971 0.5372 0.015 Uiso 1 1 calc R . . . .
C11 C 0.3994(5) 0.5170(3) 0.5809(2) 0.0115(11) Uani 1 1 d . U . . .
H11 H 0.4609 0.5191 0.5501 0.014 Uiso 1 1 calc R . . . .
C12 C 0.4058(5) 0.4670(3) 0.6342(2) 0.0076(11) Uani 1 1 d . U . . .
C13 C 0.5298(4) 0.3193(3) 0.9161(2) 0.0095(12) Uani 1 1 d . U . . .
H13 H 0.5724 0.2739 0.8995 0.011 Uiso 1 1 calc R . . . .
C14 C 0.5856(5) 0.3390(3) 0.9820(2) 0.0141(11) Uani 1 1 d . U . . .
H14A H 0.5426 0.3810 1.0029 0.017 Uiso 1 1 calc R . . . .
H14B H 0.6666 0.3557 0.9750 0.017 Uiso 1 1 calc R . . . .
C15 C 0.5840(5) 0.2690(3) 1.0270(3) 0.0182(12) Uani 1 1 d . U . . .
H15A H 0.6342 0.2292 1.0079 0.022 Uiso 1 1 calc R . . . .
H15B H 0.6167 0.2831 1.0700 0.022 Uiso 1 1 calc R . . . .
C16 C 0.4631(5) 0.2370(3) 1.0367(2) 0.0195(13) Uani 1 1 d . U . . .
H16A H 0.4160 0.2734 1.0622 0.023 Uiso 1 1 calc R . . . .
H16B H 0.4680 0.1892 1.0620 0.023 Uiso 1 1 calc R . . . .
C17 C 0.4047(5) 0.2218(3) 0.9711(3) 0.0189(13) Uani 1 1 d . U . . .
H17A H 0.4460 0.1804 0.9482 0.023 Uiso 1 1 calc R . . . .
H17B H 0.3238 0.2053 0.9786 0.023 Uiso 1 1 calc R . . . .
C18 C 0.4054(5) 0.2927(3) 0.9287(3) 0.0129(12) Uani 1 1 d . U . . .
H18A H 0.3614 0.3335 0.9508 0.016 Uiso 1 1 calc R . . . .
H18B H 0.3669 0.2817 0.8864 0.016 Uiso 1 1 calc R . . . .
C19 C 0.6634(5) 0.4503(3) 0.8737(2) 0.0085(12) Uani 1 1 d . U . . .
H19 H 0.6599 0.4549 0.9224 0.010 Uiso 1 1 calc R . . . .
C20 C 0.6609(5) 0.5314(3) 0.8463(3) 0.0120(12) Uani 1 1 d . U . . .
H20A H 0.6600 0.5296 0.7979 0.014 Uiso 1 1 calc R . . . .
H20B H 0.5894 0.5573 0.8610 0.014 Uiso 1 1 calc R . . . .
C21 C 0.7667(5) 0.5759(3) 0.8694(3) 0.0143(13) Uani 1 1 d . U . . .
H21A H 0.7664 0.6268 0.8489 0.017 Uiso 1 1 calc R . . . .
H21B H 0.7626 0.5828 0.9174 0.017 Uiso 1 1 calc R . . . .
C22 C 0.8781(5) 0.5354(3) 0.8521(3) 0.0160(12) Uani 1 1 d . U . . .
H22A H 0.8850 0.5321 0.8039 0.019 Uiso 1 1 calc R . . . .
H22B H 0.9447 0.5651 0.8686 0.019 Uiso 1 1 calc R . . . .
C23 C 0.8824(5) 0.4566(3) 0.8808(3) 0.0148(12) Uani 1 1 d . U . . .
H23A H 0.8821 0.4596 0.9291 0.018 Uiso 1 1 calc R . . . .
H23B H 0.9547 0.4309 0.8670 0.018 Uiso 1 1 calc R . . . .
C24 C 0.7773(4) 0.4108(3) 0.8574(2) 0.0101(11) Uani 1 1 d . U . . .
H24A H 0.7826 0.4034 0.8095 0.012 Uiso 1 1 calc R . . . .
H24B H 0.7784 0.3602 0.8783 0.012 Uiso 1 1 calc R . . . .
C25 C 0.5035(4) 0.3337(3) 0.57479(19) 0.0096(9) Uani 1 1 d . U . . .
H25 H 0.5450 0.2858 0.5864 0.011 Uiso 1 1 calc R . . . .
C26 C 0.3753(4) 0.3120(3) 0.5669(2) 0.0116(12) Uani 1 1 d . U . . .
H26A H 0.3426 0.2983 0.6101 0.014 Uiso 1 1 calc R . . . .
H26B H 0.3314 0.3560 0.5499 0.014 Uiso 1 1 calc R . . . .
C27 C 0.3623(5) 0.2448(3) 0.5198(2) 0.0157(12) Uani 1 1 d . U . . .
H27A H 0.4039 0.2002 0.5375 0.019 Uiso 1 1 calc R . . . .
H27B H 0.2794 0.2313 0.5155 0.019 Uiso 1 1 calc R . . . .
C28 C 0.4116(5) 0.2653(3) 0.4526(2) 0.0170(12) Uani 1 1 d . U . . .
H28A H 0.4079 0.2205 0.4236 0.020 Uiso 1 1 calc R . . . .
H28B H 0.3641 0.3060 0.4328 0.020 Uiso 1 1 calc R . . . .
C29 C 0.5365(4) 0.2919(3) 0.4584(2) 0.0138(12) Uani 1 1 d . U . . .
H29A H 0.5641 0.3088 0.4149 0.017 Uiso 1 1 calc R . . . .
H29B H 0.5856 0.2488 0.4724 0.017 Uiso 1 1 calc R . . . .
C30 C 0.5503(5) 0.3575(3) 0.5076(2) 0.0121(12) Uani 1 1 d . U . . .
H30A H 0.6331 0.3713 0.5115 0.015 Uiso 1 1 calc R . . . .
H30B H 0.5074 0.4025 0.4918 0.015 Uiso 1 1 calc R . . . .
C31 C 0.6522(4) 0.4568(3) 0.6191(2) 0.0068(11) Uani 1 1 d . U . . .
H31 H 0.6379 0.4722 0.5728 0.008 Uiso 1 1 calc R . . . .
C32 C 0.7656(4) 0.4119(3) 0.6202(3) 0.0127(12) Uani 1 1 d . U . . .
H32A H 0.7828 0.3960 0.6656 0.015 Uiso 1 1 calc R . . . .
H32B H 0.7570 0.3657 0.5932 0.015 Uiso 1 1 calc R . . . .
C33 C 0.8656(5) 0.4594(3) 0.5941(3) 0.0162(12) Uani 1 1 d . U . . .
H33A H 0.9382 0.4296 0.5967 0.019 Uiso 1 1 calc R . . . .
H33B H 0.8514 0.4716 0.5475 0.019 Uiso 1 1 calc R . . . .
C34 C 0.8799(5) 0.5327(3) 0.6325(3) 0.0199(13) Uani 1 1 d . U . . .
H34A H 0.9416 0.5638 0.6124 0.024 Uiso 1 1 calc R . . . .
H34B H 0.9035 0.5208 0.6779 0.024 Uiso 1 1 calc R . . . .
C35 C 0.7670(5) 0.5774(3) 0.6335(3) 0.0190(14) Uani 1 1 d . U . . .
H35A H 0.7490 0.5950 0.5886 0.023 Uiso 1 1 calc R . . . .
H35B H 0.7764 0.6226 0.6616 0.023 Uiso 1 1 calc R . . . .
C36 C 0.6666(5) 0.5294(3) 0.6590(3) 0.0190(14) Uani 1 1 d . U . . .
H36A H 0.5941 0.5593 0.6569 0.023 Uiso 1 1 calc R . . . .
H36B H 0.6809 0.5162 0.7053 0.023 Uiso 1 1 calc R . . . .
C37 C 0.4571(5) 0.2193(3) 0.7764(2) 0.0095(11) Uani 1 1 d . U . . .
H37 H 0.3863 0.2103 0.8036 0.011 Uiso 1 1 calc R . . . .
C38 C 0.4521(5) 0.2232(3) 0.7079(2) 0.0113(12) Uani 1 1 d . U . . .
H38 H 0.3782 0.2167 0.6831 0.014 Uiso 1 1 calc R . . . .
C39 C 0.5680(4) 0.1886(3) 0.6845(3) 0.0118(11) Uani 1 1 d . U . . .
H39 H 0.5722 0.1718 0.6379 0.014 Uiso 1 1 calc R . . . .
C40 C 0.5901(4) 0.1280(3) 0.7372(2) 0.0134(11) Uani 1 1 d . U . . .
H40A H 0.5315 0.0870 0.7370 0.016 Uiso 1 1 calc R . . . .
H40B H 0.6692 0.1064 0.7351 0.016 Uiso 1 1 calc R . . . .
C41 C 0.5742(4) 0.1839(3) 0.7938(2) 0.0122(12) Uani 1 1 d . U . . .
H41 H 0.5832 0.1633 0.8391 0.015 Uiso 1 1 calc R . . . .
C42 C 0.6588(4) 0.2468(3) 0.7727(2) 0.0110(12) Uani 1 1 d . U . . .
H42 H 0.7291 0.2613 0.7984 0.013 Uiso 1 1 calc R . . . .
C43 C 0.6534(5) 0.2500(3) 0.7062(2) 0.0118(12) Uani 1 1 d . U . . .
H43 H 0.7197 0.2673 0.6785 0.014 Uiso 1 1 calc R . . . .
C44 C 0.0397(4) 0.2491(3) 0.7491(3) 0.0183(10) Uani 1 1 d . U . . .


_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 P1 2.3665(13) . ?
Rh1 P2 2.3515(13) . ?
Rh1 Si1 2.2490(11) . ?
Rh1 C37 2.190(5) . ?
Rh1 C38 2.186(5) . ?
Rh1 C42 2.374(5) . ?
Rh1 C43 2.364(5) . ?
S1 O1 1.511(3) . ?
S1 O2 1.422(3) . ?
S1 O3 1.416(3) . ?
S1 C44 1.827(5) . ?
P1 C6 1.845(5) . ?
P1 C13 1.885(5) . ?
P1 C19 1.866(5) . ?
P2 C12 1.836(5) . ?
P2 C25 1.878(4) . ?
P2 C31 1.866(5) . ?
Si1 O1 1.796(3) . ?
Si1 C1 1.887(5) . ?
Si1 C7 1.891(5) . ?
F1 C44 1.313(7) . ?
F2 C44 1.322(5) . ?
F3 C44 1.322(5) . ?
C1 C2 1.397(7) . ?
C1 C6 1.406(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.375(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.399(7) . ?
C7 C8 1.396(7) . ?
C7 C12 1.404(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.376(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.404(7) . ?
C13 H13 1.0000 . ?
C13 C14 1.534(6) . ?
C13 C18 1.532(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.538(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.518(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.526(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.522(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19 1.0000 . ?
C19 C20 1.535(7) . ?
C19 C24 1.525(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.528(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.514(8) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.510(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.534(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25 1.0000 . ?
C25 C26 1.538(7) . ?
C25 C30 1.534(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.535(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.531(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.521(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.541(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31 1.0000 . ?
C31 C32 1.529(7) . ?
C31 C36 1.527(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.523(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.522(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.523(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.527(8) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37 1.0000 . ?
C37 C38 1.404(6) . ?
C37 C41 1.531(7) . ?
C38 H38 1.0000 . ?
C38 C39 1.546(7) . ?
C39 H39 1.0000 . ?
C39 C40 1.537(7) . ?
C39 C43 1.530(7) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.531(7) . ?
C41 H41 1.0000 . ?
C41 C42 1.540(7) . ?
C42 H42 1.0000 . ?
C42 C43 1.361(7) . ?
C43 H43 1.0000 . ?

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
P1 Rh1 C42 88.38(13) . . ?
P2 Rh1 P1 122.81(4) . . ?
P2 Rh1 C42 117.61(12) . . ?
P2 Rh1 C43 87.64(13) . . ?
Si1 Rh1 P1 82.16(5) . . ?
Si1 Rh1 P2 82.14(5) . . ?
Si1 Rh1 C42 160.08(13) . . ?
Si1 Rh1 C43 159.25(13) . . ?
C37 Rh1 P1 100.28(13) . . ?
C37 Rh1 P2 136.73(13) . . ?
C37 Rh1 Si1 101.69(15) . . ?
C37 Rh1 C42 62.71(19) . . ?
C37 Rh1 C43 73.78(19) . . ?
C38 Rh1 P1 137.66(14) . . ?
C38 Rh1 P2 99.30(14) . . ?
C38 Rh1 Si1 101.13(14) . . ?
C38 Rh1 C37 37.44(17) . . ?
C38 Rh1 C42 74.38(19) . . ?
C38 Rh1 C43 62.7(2) . . ?
C43 Rh1 P1 118.46(13) . . ?
C43 Rh1 C42 33.40(17) . . ?
O1 S1 C44 97.9(2) . . ?
O2 S1 O1 112.7(2) . . ?
O2 S1 C44 105.3(2) . . ?
O3 S1 O1 112.6(2) . . ?
O3 S1 O2 119.2(2) . . ?
O3 S1 C44 106.3(3) . . ?
C6 P1 Rh1 111.66(17) . . ?
C6 P1 C13 100.5(2) . . ?
C6 P1 C19 102.4(2) . . ?
C13 P1 Rh1 110.69(16) . . ?
C19 P1 Rh1 126.42(17) . . ?
C19 P1 C13 101.8(2) . . ?
C12 P2 Rh1 112.08(17) . . ?
C12 P2 C25 101.5(2) . . ?
C12 P2 C31 101.5(2) . . ?
C25 P2 Rh1 110.67(15) . . ?
C31 P2 Rh1 125.95(17) . . ?
C31 P2 C25 102.1(2) . . ?
O1 Si1 Rh1 114.40(11) . . ?
O1 Si1 C1 100.2(2) . . ?
O1 Si1 C7 104.3(2) . . ?
C1 Si1 Rh1 114.12(18) . . ?
C1 Si1 C7 108.6(2) . . ?
C7 Si1 Rh1 113.95(18) . . ?
S1 O1 Si1 135.0(2) . . ?
C2 C1 Si1 126.4(4) . . ?
C2 C1 C6 118.5(5) . . ?
C6 C1 Si1 115.0(4) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.8(5) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.2(5) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.9(5) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.5(5) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 P1 116.2(4) . . ?
C5 C6 P1 123.7(4) . . ?
C5 C6 C1 119.9(5) . . ?
C8 C7 Si1 126.8(4) . . ?
C8 C7 C12 118.2(5) . . ?
C12 C7 Si1 115.0(4) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.2(5) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(5) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(5) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(5) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 P2 116.4(4) . . ?
C11 C12 P2 123.3(4) . . ?
C11 C12 C7 120.2(5) . . ?
P1 C13 H13 105.8 . . ?
C14 C13 P1 118.4(4) . . ?
C14 C13 H13 105.8 . . ?
C18 C13 P1 111.6(3) . . ?
C18 C13 H13 105.8 . . ?
C18 C13 C14 108.4(4) . . ?
C13 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C13 C14 C15 109.8(4) . . ?
H14A C14 H14B 108.2 . . ?
C15 C14 H14A 109.7 . . ?
C15 C14 H14B 109.7 . . ?
C14 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 C14 112.8(4) . . ?
C16 C15 H15A 109.0 . . ?
C16 C15 H15B 109.0 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 C17 110.8(4) . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 C16 110.8(5) . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C17 C18 C13 110.6(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
P1 C19 H19 106.8 . . ?
C20 C19 P1 113.6(4) . . ?
C20 C19 H19 106.8 . . ?
C24 C19 P1 111.3(4) . . ?
C24 C19 H19 106.8 . . ?
C24 C19 C20 111.2(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
C21 C20 C19 110.5(4) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C20 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C22 C21 C20 111.3(4) . . ?
C22 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C21 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 C21 111.8(5) . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C22 C23 H23A 109.7 . . ?
C22 C23 H23B 109.7 . . ?
C22 C23 C24 109.7(5) . . ?
H23A C23 H23B 108.2 . . ?
C24 C23 H23A 109.7 . . ?
C24 C23 H23B 109.7 . . ?
C19 C24 C23 111.9(4) . . ?
C19 C24 H24A 109.2 . . ?
C19 C24 H24B 109.2 . . ?
C23 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
P2 C25 H25 106.0 . . ?
C26 C25 P2 111.2(3) . . ?
C26 C25 H25 106.0 . . ?
C30 C25 P2 118.6(3) . . ?
C30 C25 H25 106.0 . . ?
C30 C25 C26 108.3(4) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 C25 110.6(4) . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C26 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
H27A C27 H27B 108.2 . . ?
C28 C27 C26 110.1(4) . . ?
C28 C27 H27A 109.6 . . ?
C28 C27 H27B 109.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
C29 C28 C27 110.9(4) . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C28 C29 H29A 109.1 . . ?
C28 C29 H29B 109.1 . . ?
C28 C29 C30 112.3(4) . . ?
H29A C29 H29B 107.9 . . ?
C30 C29 H29A 109.1 . . ?
C30 C29 H29B 109.1 . . ?
C25 C30 C29 110.1(4) . . ?
C25 C30 H30A 109.6 . . ?
C25 C30 H30B 109.6 . . ?
C29 C30 H30A 109.6 . . ?
C29 C30 H30B 109.6 . . ?
H30A C30 H30B 108.2 . . ?
P2 C31 H31 107.2 . . ?
C32 C31 P2 112.9(4) . . ?
C32 C31 H31 107.2 . . ?
C36 C31 P2 112.5(4) . . ?
C36 C31 H31 107.2 . . ?
C36 C31 C32 109.5(5) . . ?
C31 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C33 C32 C31 111.1(4) . . ?
C33 C32 H32A 109.4 . . ?
C33 C32 H32B 109.4 . . ?
C32 C33 H33A 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?
C34 C33 C32 111.5(5) . . ?
C34 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 C35 110.7(5) . . ?
H34A C34 H34B 108.1 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C34 C35 H35A 109.3 . . ?
C34 C35 H35B 109.3 . . ?
C34 C35 C36 111.5(5) . . ?
H35A C35 H35B 108.0 . . ?
C36 C35 H35A 109.3 . . ?
C36 C35 H35B 109.3 . . ?
C31 C36 H36A 109.4 . . ?
C31 C36 H36B 109.4 . . ?
C35 C36 C31 111.4(5) . . ?
C35 C36 H36A 109.4 . . ?
C35 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
Rh1 C37 H37 121.9 . . ?
C38 C37 Rh1 71.1(3) . . ?
C38 C37 H37 121.9 . . ?
C38 C37 C41 106.7(5) . . ?
C41 C37 Rh1 101.6(3) . . ?
C41 C37 H37 121.9 . . ?
Rh1 C38 H38 122.4 . . ?
C37 C38 Rh1 71.4(3) . . ?
C37 C38 H38 122.4 . . ?
C37 C38 C39 104.7(5) . . ?
C39 C38 Rh1 101.6(3) . . ?
C39 C38 H38 122.4 . . ?
C38 C39 H39 117.0 . . ?
C40 C39 C38 101.6(4) . . ?
C40 C39 H39 117.0 . . ?
C43 C39 C38 100.8(4) . . ?
C43 C39 H39 117.0 . . ?
C43 C39 C40 100.5(4) . . ?
C39 C40 H40A 113.0 . . ?
C39 C40 H40B 113.0 . . ?
H40A C40 H40B 110.4 . . ?
C41 C40 C39 93.6(3) . . ?
C41 C40 H40A 113.0 . . ?
C41 C40 H40B 113.0 . . ?
C37 C41 C40 101.1(4) . . ?
C37 C41 H41 117.0 . . ?
C37 C41 C42 101.6(4) . . ?
C40 C41 H41 117.0 . . ?
C40 C41 C42 100.1(4) . . ?
C42 C41 H41 117.0 . . ?
Rh1 C42 H42 123.5 . . ?
C41 C42 Rh1 93.8(3) . . ?
C41 C42 H42 123.5 . . ?
C43 C42 Rh1 72.9(3) . . ?
C43 C42 C41 106.3(5) . . ?
C43 C42 H42 123.5 . . ?
Rh1 C43 H43 123.0 . . ?
C39 C43 Rh1 94.7(3) . . ?
C39 C43 H43 123.0 . . ?
C42 C43 Rh1 73.7(3) . . ?
C42 C43 C39 106.8(5) . . ?
C42 C43 H43 123.0 . . ?
F1 C44 S1 111.1(3) . . ?
F1 C44 F2 109.0(4) . . ?
F1 C44 F3 108.6(5) . . ?
F2 C44 S1 108.9(4) . . ?
F3 C44 S1 110.9(3) . . ?
F3 C44 F2 108.2(4) . . ?

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 P1 C6 C1 7.6(4) . . . . ?
Rh1 P1 C6 C5 -177.1(4) . . . . ?
Rh1 P1 C13 C14 159.2(3) . . . . ?
Rh1 P1 C13 C18 -73.9(4) . . . . ?
Rh1 P1 C19 C20 77.5(4) . . . . ?
Rh1 P1 C19 C24 -48.9(4) . . . . ?
Rh1 P2 C12 C7 -8.3(4) . . . . ?
Rh1 P2 C12 C11 175.7(4) . . . . ?
Rh1 P2 C25 C26 74.1(4) . . . . ?
Rh1 P2 C25 C30 -159.4(3) . . . . ?
Rh1 P2 C31 C32 54.9(4) . . . . ?
Rh1 P2 C31 C36 -69.6(4) . . . . ?
Rh1 Si1 O1 S1 -136.6(3) . . . . ?
Rh1 Si1 C1 C2 -174.2(4) . . . . ?
Rh1 Si1 C1 C6 9.2(4) . . . . ?
Rh1 Si1 C7 C8 -178.7(4) . . . . ?
Rh1 Si1 C7 C12 -1.5(4) . . . . ?
Rh1 C37 C38 C39 97.5(4) . . . . ?
Rh1 C37 C41 C40 -108.2(3) . . . . ?
Rh1 C37 C41 C42 -5.3(4) . . . . ?
Rh1 C38 C39 C40 107.0(3) . . . . ?
Rh1 C38 C39 C43 3.8(4) . . . . ?
Rh1 C42 C43 C39 -90.1(4) . . . . ?
P1 C13 C14 C15 -172.9(4) . . . . ?
P1 C13 C18 C17 166.4(4) . . . . ?
P1 C19 C20 C21 179.5(4) . . . . ?
P1 C19 C24 C23 -177.3(4) . . . . ?
P2 C25 C26 C27 -166.7(3) . . . . ?
P2 C25 C30 C29 173.3(4) . . . . ?
P2 C31 C32 C33 176.6(4) . . . . ?
P2 C31 C36 C35 -176.7(4) . . . . ?
Si1 C1 C2 C3 -174.3(4) . . . . ?
Si1 C1 C6 P1 -10.4(5) . . . . ?
Si1 C1 C6 C5 174.1(4) . . . . ?
Si1 C7 C8 C9 177.4(4) . . . . ?
Si1 C7 C12 P2 6.3(5) . . . . ?
Si1 C7 C12 C11 -177.7(4) . . . . ?
O1 S1 C44 F1 64.3(4) . . . . ?
O1 S1 C44 F2 -175.5(4) . . . . ?
O1 S1 C44 F3 -56.6(4) . . . . ?
O1 Si1 C1 C2 -51.5(5) . . . . ?
O1 Si1 C1 C6 131.9(4) . . . . ?
O1 Si1 C7 C8 55.9(5) . . . . ?
O1 Si1 C7 C12 -127.0(4) . . . . ?
O2 S1 O1 Si1 -71.4(4) . . . . ?
O2 S1 C44 F1 -51.9(4) . . . . ?
O2 S1 C44 F2 68.3(4) . . . . ?
O2 S1 C44 F3 -172.8(4) . . . . ?
O3 S1 O1 Si1 66.9(4) . . . . ?
O3 S1 C44 F1 -179.3(3) . . . . ?
O3 S1 C44 F2 -59.1(4) . . . . ?
O3 S1 C44 F3 59.8(4) . . . . ?
C1 Si1 O1 S1 100.9(3) . . . . ?
C1 Si1 C7 C8 -50.3(5) . . . . ?
C1 Si1 C7 C12 126.9(4) . . . . ?
C1 C2 C3 C4 0.5(8) . . . . ?
C2 C1 C6 P1 172.7(4) . . . . ?
C2 C1 C6 C5 -2.8(8) . . . . ?
C2 C3 C4 C5 -2.6(8) . . . . ?
C3 C4 C5 C6 1.9(8) . . . . ?
C4 C5 C6 P1 -174.4(4) . . . . ?
C4 C5 C6 C1 0.8(8) . . . . ?
C6 P1 C13 C14 -82.7(4) . . . . ?
C6 P1 C13 C18 44.3(4) . . . . ?
C6 P1 C19 C20 -51.7(4) . . . . ?
C6 P1 C19 C24 -178.2(4) . . . . ?
C6 C1 C2 C3 2.2(8) . . . . ?
C7 Si1 O1 S1 -11.5(4) . . . . ?
C7 Si1 C1 C2 57.5(5) . . . . ?
C7 Si1 C1 C6 -119.1(4) . . . . ?
C7 C8 C9 C10 -0.6(8) . . . . ?
C8 C7 C12 P2 -176.3(4) . . . . ?
C8 C7 C12 C11 -0.3(8) . . . . ?
C8 C9 C10 C11 0.7(8) . . . . ?
C9 C10 C11 C12 -0.5(8) . . . . ?
C10 C11 C12 P2 176.1(4) . . . . ?
C10 C11 C12 C7 0.4(8) . . . . ?
C12 P2 C25 C26 -45.0(4) . . . . ?
C12 P2 C25 C30 81.5(4) . . . . ?
C12 P2 C31 C32 -176.7(4) . . . . ?
C12 P2 C31 C36 58.8(4) . . . . ?
C12 C7 C8 C9 0.4(8) . . . . ?
C13 P1 C6 C1 -109.9(4) . . . . ?
C13 P1 C6 C5 65.5(5) . . . . ?
C13 P1 C19 C20 -155.4(4) . . . . ?
C13 P1 C19 C24 78.1(4) . . . . ?
C13 C14 C15 C16 -55.9(6) . . . . ?
C14 C13 C18 C17 -61.4(6) . . . . ?
C14 C15 C16 C17 53.1(6) . . . . ?
C15 C16 C17 C18 -54.2(6) . . . . ?
C16 C17 C18 C13 59.4(6) . . . . ?
C18 C13 C14 C15 58.7(6) . . . . ?
C19 P1 C6 C1 145.4(4) . . . . ?
C19 P1 C6 C5 -39.2(5) . . . . ?
C19 P1 C13 C14 22.5(4) . . . . ?
C19 P1 C13 C18 149.5(4) . . . . ?
C19 C20 C21 C22 55.2(6) . . . . ?
C20 C19 C24 C23 55.0(6) . . . . ?
C20 C21 C22 C23 -57.7(6) . . . . ?
C21 C22 C23 C24 57.0(6) . . . . ?
C22 C23 C24 C19 -55.9(6) . . . . ?
C24 C19 C20 C21 -53.9(6) . . . . ?
C25 P2 C12 C7 109.8(4) . . . . ?
C25 P2 C12 C11 -66.2(5) . . . . ?
C25 P2 C31 C32 -72.1(4) . . . . ?
C25 P2 C31 C36 163.4(4) . . . . ?
C25 C26 C27 C28 -59.6(6) . . . . ?
C26 C25 C30 C29 -58.8(5) . . . . ?
C26 C27 C28 C29 55.1(6) . . . . ?
C27 C28 C29 C30 -54.2(6) . . . . ?
C28 C29 C30 C25 56.5(6) . . . . ?
C30 C25 C26 C27 61.3(5) . . . . ?
C31 P2 C12 C7 -145.2(4) . . . . ?
C31 P2 C12 C11 38.9(5) . . . . ?
C31 P2 C25 C26 -149.6(4) . . . . ?
C31 P2 C25 C30 -23.1(5) . . . . ?
C31 C32 C33 C34 57.1(6) . . . . ?
C32 C31 C36 C35 56.9(6) . . . . ?
C32 C33 C34 C35 -55.0(6) . . . . ?
C33 C34 C35 C36 54.5(6) . . . . ?
C34 C35 C36 C31 -56.2(6) . . . . ?
C36 C31 C32 C33 -57.3(6) . . . . ?
C37 C38 C39 C40 33.4(5) . . . . ?
C37 C38 C39 C43 -69.8(5) . . . . ?
C37 C41 C42 Rh1 4.8(4) . . . . ?
C37 C41 C42 C43 -68.5(5) . . . . ?
C38 C37 C41 C40 -34.6(5) . . . . ?
C38 C37 C41 C42 68.3(5) . . . . ?
C38 C39 C40 C41 -51.8(4) . . . . ?
C38 C39 C43 Rh1 -3.5(4) . . . . ?
C38 C39 C43 C42 70.9(5) . . . . ?
C39 C40 C41 C37 51.9(4) . . . . ?
C39 C40 C41 C42 -52.2(4) . . . . ?
C40 C39 C43 Rh1 -107.6(3) . . . . ?
C40 C39 C43 C42 -33.2(6) . . . . ?
C40 C41 C42 Rh1 108.5(3) . . . . ?
C40 C41 C42 C43 35.2(5) . . . . ?
C41 C37 C38 Rh1 -96.8(4) . . . . ?
C41 C37 C38 C39 0.7(6) . . . . ?
C41 C42 C43 Rh1 88.9(4) . . . . ?
C41 C42 C43 C39 -1.1(6) . . . . ?
C43 C39 C40 C41 51.7(4) . . . . ?
C44 S1 O1 Si1 178.3(3) . . . . ?

####################################################################### 
# 
# 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_2-Ph
_database_code_depnum_ccdc_archive 'CCDC 1444627'
_audit_update_record             
;
2015-12-28 deposited with the CCDC.
2016-01-26 downloaded from the CCDC.
;
_audit_creation_date             2015-12-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C74 H56 F6 O6 P4 Rh2 S2 Si2'
_chemical_formula_sum            'C74 H56 F6 O6 P4 Rh2 S2 Si2'
_chemical_formula_weight         1605.18
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   13.2957(14)
_cell_length_b                   13.9009(15)
_cell_length_c                   20.145(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.111(7)
_cell_angle_gamma                90
_cell_volume                     3694.6(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    30872
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      3.06
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.28
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36379
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.088
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 6.849
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073

_reflns_number_gt                6890
_reflns_number_total             8451
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r13'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r13'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r13'
_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    'SIR2004 (Burla, et al., 2005)'
_refine_diff_density_max         0.557
_refine_diff_density_min         -0.627
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.048
_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)+(0.0408P)²+3.5835P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0954
_refine_special_details          ?

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.95279(2) 0.93411(2) 0.57343(2) 0.01629(7) Uani 1 1 d . . . . .
S1 S 0.96833(6) 0.95325(6) 0.75063(4) 0.02870(18) Uani 1 1 d . . . . .
P1 P 1.07567(5) 0.81718(5) 0.57903(4) 0.02033(16) Uani 1 1 d . . . . .
P2 P 0.77961(5) 0.97152(6) 0.53995(4) 0.02154(16) Uani 1 1 d . . . . .
Si1 Si 0.96347(5) 0.92968(5) 0.46121(4) 0.01697(15) Uani 1 1 d . . . . .
F1 F 0.79600(19) 1.03787(18) 0.76362(12) 0.0618(7) Uani 1 1 d . . . . .
F2 F 0.8708(2) 0.9781(2) 0.85438(10) 0.0652(7) Uani 1 1 d . . . . .
F3 F 0.79479(18) 0.88551(19) 0.77905(12) 0.0637(7) Uani 1 1 d . . . . .
O1 O 0.92800(18) 0.93360(19) 0.68179(11) 0.0398(6) Uani 1 1 d . . . . .
O2 O 1.0189(2) 0.87325(19) 0.78531(12) 0.0471(6) Uani 1 1 d . . . . .
O3 O 1.0158(2) 1.04470(19) 0.76159(14) 0.0556(8) Uani 1 1 d . . . . .
C1 C 0.8307(2) 0.9077(2) 0.41795(14) 0.0221(6) Uani 1 1 d . . . . .
C2 C 0.8086(2) 0.8638(2) 0.35512(15) 0.0307(7) Uani 1 1 d . . . . .
H2 H 0.8622 0.8490 0.3298 0.037 Uiso 1 1 calc R . . . .
C3 C 0.7095(2) 0.8417(3) 0.32930(17) 0.0410(9) Uani 1 1 d . . . . .
H3 H 0.6960 0.8127 0.2864 0.049 Uiso 1 1 calc R . . . .
C4 C 0.6306(3) 0.8619(3) 0.36587(17) 0.0450(10) Uani 1 1 d . . . . .
H4 H 0.5631 0.8456 0.3484 0.054 Uiso 1 1 calc R . . . .
C5 C 0.6498(2) 0.9058(3) 0.42784(16) 0.0367(8) Uani 1 1 d . . . . .
H5 H 0.5954 0.9208 0.4525 0.044 Uiso 1 1 calc R . . . .
C6 C 0.7494(2) 0.9280(2) 0.45404(14) 0.0258(6) Uani 1 1 d . . . . .
C7 C 1.0492(2) 0.8289(2) 0.44141(13) 0.0194(6) Uani 1 1 d . . . . .
C8 C 1.0618(2) 0.7987(2) 0.37634(15) 0.0253(6) Uani 1 1 d . . . . .
H8 H 1.0270 0.8314 0.3389 0.030 Uiso 1 1 calc R . . . .
C9 C 1.1239(2) 0.7222(2) 0.36617(15) 0.0283(7) Uani 1 1 d . . . . .
H9 H 1.1302 0.7013 0.3220 0.034 Uiso 1 1 calc R . . . .
C10 C 1.1777(2) 0.6755(2) 0.42067(16) 0.0290(7) Uani 1 1 d . . . . .
H10 H 1.2207 0.6229 0.4135 0.035 Uiso 1 1 calc R . . . .
C11 C 1.1687(2) 0.7050(2) 0.48450(16) 0.0283(7) Uani 1 1 d . . . . .
H11 H 1.2064 0.6735 0.5214 0.034 Uiso 1 1 calc R . . . .
C12 C 1.1041(2) 0.7816(2) 0.49587(14) 0.0224(6) Uani 1 1 d . . . . .
C13 C 0.7046(2) 1.0806(2) 0.54673(16) 0.0280(7) Uani 1 1 d . . . . .
C14 C 0.7012(3) 1.1194(2) 0.60982(18) 0.0361(8) Uani 1 1 d . . . . .
H14 H 0.7427 1.0932 0.6472 0.043 Uiso 1 1 calc R . . . .
C15 C 0.6464(2) 1.1225(3) 0.49201(19) 0.0391(8) Uani 1 1 d . . . . .
H15 H 0.6490 1.0978 0.4483 0.047 Uiso 1 1 calc R . . . .
C16 C 0.7131(2) 0.8828(2) 0.58596(15) 0.0275(7) Uani 1 1 d . . . . .
C17 C 0.6314(3) 0.9042(3) 0.61983(19) 0.0463(10) Uani 1 1 d . . . . .
H17 H 0.6058 0.9680 0.6196 0.056 Uiso 1 1 calc R . . . .
C18 C 1.1914(2) 0.8182(2) 0.63845(14) 0.0251(6) Uani 1 1 d . . . . .
C19 C 1.2118(2) 0.8995(3) 0.67733(15) 0.0322(7) Uani 1 1 d . . . . .
H19 H 1.1673 0.9531 0.6710 0.039 Uiso 1 1 calc R . . . .
C20 C 1.2962(3) 0.9044(3) 0.72560(17) 0.0429(9) Uani 1 1 d . . . . .
H20 H 1.3096 0.9611 0.7515 0.052 Uiso 1 1 calc R . . . .
C21 C 1.3596(3) 0.8268(3) 0.73536(18) 0.0459(10) Uani 1 1 d . . . . .
H21 H 1.4171 0.8297 0.7683 0.055 Uiso 1 1 calc R . . . .
C22 C 1.3407(3) 0.7442(3) 0.69779(18) 0.0451(10) Uani 1 1 d . . . . .
H22 H 1.3855 0.6910 0.7047 0.054 Uiso 1 1 calc R . . . .
C23 C 1.2556(3) 0.7391(3) 0.64960(16) 0.0366(8) Uani 1 1 d . . . . .
H23 H 1.2415 0.6817 0.6245 0.044 Uiso 1 1 calc R . . . .
C24 C 1.0115(2) 0.7101(2) 0.60620(15) 0.0242(6) Uani 1 1 d . . . . .
C25 C 0.9686(2) 0.6413(2) 0.56045(16) 0.0323(7) Uani 1 1 d . . . . .
H25 H 0.9700 0.6505 0.5138 0.039 Uiso 1 1 calc R . . . .
C26 C 0.9241(3) 0.5594(3) 0.58347(18) 0.0412(9) Uani 1 1 d . . . . .
H26 H 0.8959 0.5124 0.5524 0.049 Uiso 1 1 calc R . . . .
C27 C 0.9202(3) 0.5455(3) 0.65103(18) 0.0419(9) Uani 1 1 d . . . . .
H27 H 0.8904 0.4888 0.6664 0.050 Uiso 1 1 calc R . . . .
C28 C 0.9600(3) 0.6147(3) 0.69616(17) 0.0408(8) Uani 1 1 d . . . . .
H28 H 0.9562 0.6061 0.7426 0.049 Uiso 1 1 calc R . . . .
C29 C 1.0054(3) 0.6963(2) 0.67420(15) 0.0331(7) Uani 1 1 d . . . . .
H29 H 1.0326 0.7434 0.7056 0.040 Uiso 1 1 calc R . . . .
C30 C 0.8508(3) 0.9638(3) 0.78853(17) 0.0395(8) Uani 1 1 d . . . . .
C31 C 0.6378(3) 1.1962(3) 0.6186(2) 0.0505(10) Uani 1 1 d . . . . .
H31 H 0.6347 1.2214 0.6622 0.061 Uiso 1 1 calc R . . . .
C32 C 0.5794(3) 1.2361(3) 0.5647(3) 0.0619(13) Uani 1 1 d . . . . .
H32 H 0.5354 1.2882 0.5709 0.074 Uiso 1 1 calc R . . . .
C33 C 0.5846(3) 1.2006(3) 0.5017(3) 0.0564(12) Uani 1 1 d . . . . .
H33 H 0.5456 1.2297 0.4644 0.068 Uiso 1 1 calc R . . . .
C34 C 0.7461(3) 0.7900(3) 0.5864(2) 0.0533(11) Uani 1 1 d . . . . .
H34 H 0.8017 0.7738 0.5631 0.064 Uiso 1 1 calc R . . . .
C35 C 0.7001(3) 0.7181(3) 0.6205(3) 0.0713(15) Uani 1 1 d . . . . .
H35 H 0.7240 0.6537 0.6201 0.086 Uiso 1 1 calc R . . . .
C36 C 0.6204(3) 0.7410(3) 0.6544(2) 0.0584(12) Uani 1 1 d . . . . .
H36 H 0.5890 0.6926 0.6780 0.070 Uiso 1 1 calc R . . . .
C37 C 0.5866(3) 0.8321(3) 0.6542(2) 0.0618(12) Uani 1 1 d . . . . .
H37 H 0.5313 0.8476 0.6779 0.074 Uiso 1 1 calc R . . . .


_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 P1 2.2974(8) . ?
Rh1 P2 2.3753(8) . ?
Rh1 Si1 2.3460(8) 3_776 ?
Rh1 Si1 2.2833(8) . ?
Rh1 O1 2.248(2) . ?
S1 O1 1.450(2) . ?
S1 O2 1.435(3) . ?
S1 O3 1.424(3) . ?
S1 C30 1.828(4) . ?
P1 C12 1.830(3) . ?
P1 C18 1.828(3) . ?
P1 C24 1.833(3) . ?
P2 C6 1.830(3) . ?
P2 C13 1.829(3) . ?
P2 C16 1.835(3) . ?
Si1 Rh1 2.3460(8) 3_776 ?
Si1 Si1 2.6136(15) 3_776 ?
Si1 C1 1.895(3) . ?
Si1 C7 1.879(3) . ?
F1 C30 1.325(4) . ?
F2 C30 1.335(4) . ?
F3 C30 1.319(4) . ?
C1 C2 1.403(4) . ?
C1 C6 1.404(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.399(4) . ?
C7 C8 1.406(4) . ?
C7 C12 1.404(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.377(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.394(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.369(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.404(4) . ?
C13 C14 1.387(5) . ?
C13 C15 1.394(4) . ?
C14 H14 0.9500 . ?
C14 C31 1.386(5) . ?
C15 H15 0.9500 . ?
C15 C33 1.390(5) . ?
C16 C17 1.385(5) . ?
C16 C34 1.363(5) . ?
C17 H17 0.9500 . ?
C17 C37 1.393(5) . ?
C18 C19 1.383(4) . ?
C18 C23 1.393(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.393(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.368(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.380(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.399(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.400(4) . ?
C24 C29 1.395(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.382(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.384(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.383(5) . ?
C29 H29 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.372(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.370(6) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.395(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.367(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.343(6) . ?
C37 H37 0.9500 . ?

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
P1 Rh1 P2 145.82(3) . . ?
P1 Rh1 Si1 102.99(3) . 3_776 ?
Si1 Rh1 P1 84.18(3) . . ?
Si1 Rh1 P2 102.59(3) 3_776 . ?
Si1 Rh1 P2 84.36(3) . . ?
Si1 Rh1 Si1 68.73(3) . 3_776 ?
O1 Rh1 P1 97.99(7) . . ?
O1 Rh1 P2 91.31(6) . . ?
O1 Rh1 Si1 174.87(6) . . ?
O1 Rh1 Si1 115.06(7) . 3_776 ?
O1 S1 C30 100.40(15) . . ?
O2 S1 O1 114.53(15) . . ?
O2 S1 C30 103.40(16) . . ?
O3 S1 O1 114.89(16) . . ?
O3 S1 O2 116.36(17) . . ?
O3 S1 C30 104.43(18) . . ?
C12 P1 Rh1 111.85(10) . . ?
C12 P1 C24 102.15(13) . . ?
C18 P1 Rh1 124.21(10) . . ?
C18 P1 C12 110.43(13) . . ?
C18 P1 C24 101.29(13) . . ?
C24 P1 Rh1 103.58(9) . . ?
C6 P2 Rh1 106.71(10) . . ?
C6 P2 C16 101.10(14) . . ?
C13 P2 Rh1 132.75(10) . . ?
C13 P2 C6 106.65(14) . . ?
C13 P2 C16 102.59(14) . . ?
C16 P2 Rh1 102.74(10) . . ?
Rh1 Si1 Rh1 111.27(3) . 3_776 ?
Rh1 Si1 Si1 56.77(3) . 3_776 ?
Rh1 Si1 Si1 54.50(3) 3_776 3_776 ?
C1 Si1 Rh1 116.30(9) . 3_776 ?
C1 Si1 Rh1 106.93(9) . . ?
C1 Si1 Si1 130.70(10) . 3_776 ?
C7 Si1 Rh1 110.11(9) . . ?
C7 Si1 Rh1 102.46(9) . 3_776 ?
C7 Si1 Si1 119.61(9) . 3_776 ?
C7 Si1 C1 109.70(13) . . ?
S1 O1 Rh1 147.90(15) . . ?
C2 C1 Si1 124.4(2) . . ?
C2 C1 C6 117.8(3) . . ?
C6 C1 Si1 117.5(2) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.1(3) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.1(3) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.9(3) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 P2 117.6(2) . . ?
C5 C6 P2 121.1(2) . . ?
C5 C6 C1 120.9(3) . . ?
C8 C7 Si1 124.5(2) . . ?
C12 C7 Si1 117.0(2) . . ?
C12 C7 C8 118.6(3) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(3) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.1(3) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.3(3) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.5(3) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 P1 116.3(2) . . ?
C7 C12 C11 119.8(3) . . ?
C11 C12 P1 123.6(2) . . ?
C14 C13 P2 118.1(3) . . ?
C14 C13 C15 119.0(3) . . ?
C15 C13 P2 122.8(3) . . ?
C13 C14 H14 119.8 . . ?
C31 C14 C13 120.5(4) . . ?
C31 C14 H14 119.8 . . ?
C13 C15 H15 120.1 . . ?
C33 C15 C13 119.7(4) . . ?
C33 C15 H15 120.1 . . ?
C17 C16 P2 124.1(3) . . ?
C34 C16 P2 117.7(3) . . ?
C34 C16 C17 118.1(3) . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C37 120.0(4) . . ?
C37 C17 H17 120.0 . . ?
C19 C18 P1 117.9(2) . . ?
C19 C18 C23 118.7(3) . . ?
C23 C18 P1 123.3(3) . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(3) . . ?
C20 C19 H19 119.3 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.4(4) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.7(3) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C18 C23 C22 119.9(4) . . ?
C18 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C25 C24 P1 121.7(2) . . ?
C29 C24 P1 119.4(2) . . ?
C29 C24 C25 119.0(3) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.7(3) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.9(3) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.4(3) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.5(3) . . ?
C29 C28 H28 119.8 . . ?
C24 C29 H29 119.8 . . ?
C28 C29 C24 120.5(3) . . ?
C28 C29 H29 119.8 . . ?
F1 C30 S1 111.3(2) . . ?
F1 C30 F2 107.0(3) . . ?
F2 C30 S1 110.6(3) . . ?
F3 C30 S1 111.7(2) . . ?
F3 C30 F1 108.2(3) . . ?
F3 C30 F2 107.8(3) . . ?
C14 C31 H31 119.9 . . ?
C32 C31 C14 120.2(4) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0(4) . . ?
C33 C32 H32 120.0 . . ?
C15 C33 H33 119.7 . . ?
C32 C33 C15 120.6(4) . . ?
C32 C33 H33 119.7 . . ?
C16 C34 H34 119.3 . . ?
C16 C34 C35 121.4(4) . . ?
C35 C34 H34 119.3 . . ?
C34 C35 H35 120.2 . . ?
C36 C35 C34 119.6(4) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.9(4) . . ?
C37 C36 H36 120.1 . . ?
C17 C37 H37 119.5 . . ?
C36 C37 C17 121.0(4) . . ?
C36 C37 H37 119.5 . . ?

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
Rh1 P1 C12 C7 0.1(2) . . . . ?
Rh1 P1 C12 C11 -173.4(2) . . . . ?
Rh1 P1 C18 C19 -7.6(3) . . . . ?
Rh1 P1 C18 C23 167.8(2) . . . . ?
Rh1 P1 C24 C25 96.8(3) . . . . ?
Rh1 P1 C24 C29 -83.4(2) . . . . ?
Rh1 P2 C6 C1 -17.0(3) . . . . ?
Rh1 P2 C6 C5 156.1(3) . . . . ?
Rh1 P2 C13 C14 -56.8(3) . . . . ?
Rh1 P2 C13 C15 127.0(2) . . . . ?
Rh1 P2 C16 C17 135.5(3) . . . . ?
Rh1 P2 C16 C34 -44.9(3) . . . . ?
Rh1 Si1 C1 C2 81.2(3) 3_776 . . . ?
Rh1 Si1 C1 C2 -153.9(2) . . . . ?
Rh1 Si1 C1 C6 -105.4(2) 3_776 . . . ?
Rh1 Si1 C1 C6 19.6(3) . . . . ?
Rh1 Si1 C7 C8 -70.1(2) 3_776 . . . ?
Rh1 Si1 C7 C8 171.4(2) . . . . ?
Rh1 Si1 C7 C12 109.6(2) 3_776 . . . ?
Rh1 Si1 C7 C12 -8.8(2) . . . . ?
P1 C18 C19 C20 177.4(3) . . . . ?
P1 C18 C23 C22 -177.5(3) . . . . ?
P1 C24 C25 C26 177.6(3) . . . . ?
P1 C24 C29 C28 -178.1(3) . . . . ?
P2 C13 C14 C31 -173.6(3) . . . . ?
P2 C13 C15 C33 174.6(3) . . . . ?
P2 C16 C17 C37 -179.1(3) . . . . ?
P2 C16 C34 C35 179.7(4) . . . . ?
Si1 Si1 C1 C2 145.7(2) 3_776 . . . ?
Si1 Si1 C1 C6 -40.8(3) 3_776 . . . ?
Si1 Si1 C7 C8 -126.2(2) 3_776 . . . ?
Si1 Si1 C7 C12 53.6(2) 3_776 . . . ?
Si1 C1 C2 C3 173.8(3) . . . . ?
Si1 C1 C6 P2 -1.2(3) . . . . ?
Si1 C1 C6 C5 -174.3(3) . . . . ?
Si1 C7 C8 C9 -178.0(2) . . . . ?
Si1 C7 C12 P1 5.5(3) . . . . ?
Si1 C7 C12 C11 179.3(2) . . . . ?
O1 S1 C30 F1 -64.0(3) . . . . ?
O1 S1 C30 F2 177.3(3) . . . . ?
O1 S1 C30 F3 57.1(3) . . . . ?
O2 S1 O1 Rh1 -90.9(3) . . . . ?
O2 S1 C30 F1 177.5(3) . . . . ?
O2 S1 C30 F2 58.7(3) . . . . ?
O2 S1 C30 F3 -61.4(3) . . . . ?
O3 S1 O1 Rh1 47.7(4) . . . . ?
O3 S1 C30 F1 55.3(3) . . . . ?
O3 S1 C30 F2 -63.5(3) . . . . ?
O3 S1 C30 F3 176.4(3) . . . . ?
C1 Si1 C7 C8 54.0(3) . . . . ?
C1 Si1 C7 C12 -126.2(2) . . . . ?
C1 C2 C3 C4 -0.7(6) . . . . ?
C2 C1 C6 P2 172.7(2) . . . . ?
C2 C1 C6 C5 -0.4(5) . . . . ?
C2 C3 C4 C5 1.2(6) . . . . ?
C3 C4 C5 C6 -1.3(6) . . . . ?
C4 C5 C6 P2 -172.0(3) . . . . ?
C4 C5 C6 C1 0.9(5) . . . . ?
C6 P2 C13 C14 170.0(2) . . . . ?
C6 P2 C13 C15 -6.2(3) . . . . ?
C6 P2 C16 C17 -114.4(3) . . . . ?
C6 P2 C16 C34 65.3(3) . . . . ?
C6 C1 C2 C3 0.3(5) . . . . ?
C7 Si1 C1 C2 -34.5(3) . . . . ?
C7 Si1 C1 C6 139.0(2) . . . . ?
C7 C8 C9 C10 -1.9(4) . . . . ?
C8 C7 C12 P1 -174.7(2) . . . . ?
C8 C7 C12 C11 -0.9(4) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C9 C10 C11 C12 1.0(5) . . . . ?
C10 C11 C12 P1 172.6(2) . . . . ?
C10 C11 C12 C7 -0.7(4) . . . . ?
C12 P1 C18 C19 129.6(2) . . . . ?
C12 P1 C18 C23 -55.1(3) . . . . ?
C12 P1 C24 C25 -19.5(3) . . . . ?
C12 P1 C24 C29 160.3(3) . . . . ?
C12 C7 C8 C9 2.2(4) . . . . ?
C13 P2 C6 C1 129.1(2) . . . . ?
C13 P2 C6 C5 -57.9(3) . . . . ?
C13 P2 C16 C17 -4.3(3) . . . . ?
C13 P2 C16 C34 175.4(3) . . . . ?
C13 C14 C31 C32 -1.6(5) . . . . ?
C13 C15 C33 C32 -0.8(6) . . . . ?
C14 C13 C15 C33 -1.5(5) . . . . ?
C14 C31 C32 C33 -0.7(6) . . . . ?
C15 C13 C14 C31 2.7(5) . . . . ?
C16 P2 C6 C1 -124.1(2) . . . . ?
C16 P2 C6 C5 49.0(3) . . . . ?
C16 P2 C13 C14 64.1(3) . . . . ?
C16 P2 C13 C15 -112.0(3) . . . . ?
C16 C17 C37 C36 -1.0(7) . . . . ?
C16 C34 C35 C36 -0.3(8) . . . . ?
C17 C16 C34 C35 -0.6(6) . . . . ?
C18 P1 C12 C7 -142.6(2) . . . . ?
C18 P1 C12 C11 43.9(3) . . . . ?
C18 P1 C24 C25 -133.5(3) . . . . ?
C18 P1 C24 C29 46.3(3) . . . . ?
C18 C19 C20 C21 -0.8(5) . . . . ?
C19 C18 C23 C22 -2.2(5) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C21 C22 C23 -0.6(5) . . . . ?
C21 C22 C23 C18 1.6(5) . . . . ?
C23 C18 C19 C20 1.9(5) . . . . ?
C24 P1 C12 C7 110.3(2) . . . . ?
C24 P1 C12 C11 -63.2(3) . . . . ?
C24 P1 C18 C19 -122.8(2) . . . . ?
C24 P1 C18 C23 52.6(3) . . . . ?
C24 C25 C26 C27 0.9(6) . . . . ?
C25 C24 C29 C28 1.7(5) . . . . ?
C25 C26 C27 C28 0.9(6) . . . . ?
C26 C27 C28 C29 -1.4(6) . . . . ?
C27 C28 C29 C24 0.1(6) . . . . ?
C29 C24 C25 C26 -2.2(5) . . . . ?
C30 S1 O1 Rh1 159.1(3) . . . . ?
C31 C32 C33 C15 1.9(6) . . . . ?
C34 C16 C17 C37 1.3(6) . . . . ?
C34 C35 C36 C37 0.5(8) . . . . ?
C35 C36 C37 C17 0.1(8) . . . . ?


loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 286 67 ' '
2 0.500 0.500 0.500 287 67 ' '

#===END

