# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Rh2
_database_code_depnum_ccdc_archive 'CCDC 2031071'
loop_
_audit_author_name
_audit_author_address
'Bruno M Donnadieu'
;Mississippi State University 
United States of America
;
_audit_update_record             
;
2020-09-08 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H90 I2 P2 Rh2 Si4'
_chemical_formula_sum            'C64 H90 I2 P2 Rh2 Si4'
_chemical_formula_weight         1493.27

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5705(3)
_cell_length_b                   17.6043(6)
_cell_length_c                   19.2246(7)
_cell_angle_alpha                93.3520(10)
_cell_angle_beta                 90.1870(10)
_cell_angle_gamma                98.870(2)
_cell_volume                     3194.54(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2194
_cell_measurement_theta_min      2.302
_cell_measurement_theta_max      72.490

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            'orange yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_F_000             1512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.278
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.102
_exptl_absorpt_coefficient_mu    13.238
_shelx_estimated_absorpt_T_min   0.120
_shelx_estimated_absorpt_T_max   0.345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.120
_exptl_absorpt_correction_T_max  0.345
_exptl_absorpt_process_details   Sadabs
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS D8 Venture '
_diffrn_measurement_method       'profile data from θ/2θ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            68424
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.302
_diffrn_reflns_theta_max         72.490
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             12489
_reflns_number_gt                11961
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 v2019.1.0'
_computing_cell_refinement       'APEX3 v2019.1.0'
_computing_data_reduction        'Saint, APEX v2019.1.0.'
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXTL-2018/3
_computing_molecular_graphics    'Mercury V.4.2.0,POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2018.7.2'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0126P)²+5.3898P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.000345(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         12489
_refine_ls_number_parameters     684
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_ref         0.0553
_refine_ls_wR_factor_gt          0.0543
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Rh1A Rh 0.41185(2) 0.79567(2) 0.02896(2) 0.01213(5) Uani 1 1 d . . . . .
I1A I 0.25686(2) 0.84179(2) -0.06659(2) 0.02170(5) Uani 1 1 d . . . . .
P1A P 0.54391(6) 0.79561(3) 0.12296(3) 0.01163(12) Uani 1 1 d . . . . .
Si1A Si 0.60086(7) 0.76831(4) -0.03736(3) 0.01397(13) Uani 1 1 d . . . . .
Si2A Si 0.31489(7) 0.67237(4) 0.05241(3) 0.01522(13) Uani 1 1 d . . . . .
C1A C 0.7629(3) 0.75963(15) 0.01814(13) 0.0165(5) Uani 1 1 d . . . . .
H1A1 H 0.740909 0.714771 0.047152 0.020 Uiso 1 1 calc R U . . .
H1A2 H 0.842001 0.750602 -0.012763 0.020 Uiso 1 1 calc R U . . .
C2A C 0.8075(3) 0.83093(15) 0.06447(13) 0.0168(5) Uani 1 1 d . . . . .
C3A C 0.9386(3) 0.87617(17) 0.05751(14) 0.0228(6) Uani 1 1 d . . . . .
H3A H 1.003312 0.859825 0.024600 0.027 Uiso 1 1 calc R U . . .
C4A C 0.9776(3) 0.94441(18) 0.09725(16) 0.0285(6) Uani 1 1 d . . . . .
H4A H 1.067562 0.974391 0.090946 0.034 Uiso 1 1 calc R U . . .
C5A C 0.8856(3) 0.96915(17) 0.14630(15) 0.0266(6) Uani 1 1 d . . . . .
H5A H 0.912040 1.015971 0.173576 0.032 Uiso 1 1 calc R U . . .
C6A C 0.7548(3) 0.92478(15) 0.15501(13) 0.0197(5) Uani 1 1 d . . . . .
H6A H 0.691405 0.941353 0.188498 0.024 Uiso 1 1 calc R U . . .
C7A C 0.7150(3) 0.85575(14) 0.11492(12) 0.0146(5) Uani 1 1 d . . . . .
C8A C 0.5970(3) 0.71053(14) 0.16043(12) 0.0132(5) Uani 1 1 d . . . . .
C9A C 0.7006(3) 0.72612(15) 0.21299(12) 0.0165(5) Uani 1 1 d . . . . .
H9A H 0.737467 0.778114 0.226610 0.020 Uiso 1 1 calc R U . . .
C10A C 0.7505(3) 0.66760(16) 0.24548(13) 0.0208(5) Uani 1 1 d . . . . .
H10A H 0.822240 0.679238 0.280430 0.025 Uiso 1 1 calc R U . . .
C11A C 0.6951(3) 0.59187(16) 0.22675(14) 0.0229(6) Uani 1 1 d . . . . .
H11A H 0.726341 0.551226 0.249965 0.027 Uiso 1 1 calc R U . . .
C12A C 0.5943(3) 0.57547(15) 0.17414(14) 0.0209(5) Uani 1 1 d . . . . .
H12A H 0.556823 0.523229 0.161811 0.025 Uiso 1 1 calc R U . . .
C13A C 0.5454(3) 0.63399(15) 0.13828(12) 0.0162(5) Uani 1 1 d . . . . .
C14A C 0.4516(3) 0.61017(15) 0.07505(13) 0.0186(5) Uani 1 1 d . . . . .
H14A H 0.401055 0.557602 0.081288 0.022 Uiso 1 1 calc R U . . .
H14B H 0.513626 0.606674 0.034250 0.022 Uiso 1 1 calc R U . . .
C15A C 0.4584(3) 0.84388(15) 0.19433(12) 0.0151(5) Uani 1 1 d . . . . .
C16A C 0.4080(3) 0.91190(17) 0.17994(14) 0.0241(6) Uani 1 1 d . . . . .
H16A H 0.419195 0.930746 0.134664 0.029 Uiso 1 1 calc R U . . .
C17A C 0.3417(3) 0.95220(18) 0.23096(15) 0.0283(6) Uani 1 1 d . . . . .
H17A H 0.308938 0.998649 0.220785 0.034 Uiso 1 1 calc R U . . .
C18A C 0.3236(3) 0.92431(17) 0.29678(14) 0.0246(6) Uani 1 1 d . . . . .
H18A H 0.278525 0.951744 0.331891 0.030 Uiso 1 1 calc R U . . .
C19A C 0.3708(3) 0.85680(17) 0.31133(13) 0.0217(6) Uani 1 1 d . . . . .
H19A H 0.357254 0.837595 0.356376 0.026 Uiso 1 1 calc R U . . .
C20A C 0.4385(3) 0.81642(15) 0.26041(13) 0.0169(5) Uani 1 1 d . . . . .
H20A H 0.471114 0.770044 0.270973 0.020 Uiso 1 1 calc R U . . .
C21A C 0.6513(3) 0.85657(16) -0.09027(13) 0.0207(5) Uani 1 1 d . . . . .
H21A H 0.577335 0.854136 -0.127540 0.025 Uiso 1 1 calc R U . . .
C22A C 0.6558(3) 0.93426(16) -0.04901(15) 0.0246(6) Uani 1 1 d . . . . .
H22A H 0.726740 0.938728 -0.011527 0.037 Uiso 1 1 calc R U . . .
H22B H 0.562726 0.937453 -0.028918 0.037 Uiso 1 1 calc R U . . .
H22C H 0.680693 0.976180 -0.080230 0.037 Uiso 1 1 calc R U . . .
C23A C 0.7930(3) 0.85330(18) -0.12727(15) 0.0278(6) Uani 1 1 d . . . . .
H23A H 0.811053 0.895269 -0.158951 0.042 Uiso 1 1 calc R U . . .
H23B H 0.788641 0.803783 -0.153912 0.042 Uiso 1 1 calc R U . . .
H23C H 0.869558 0.858787 -0.092482 0.042 Uiso 1 1 calc R U . . .
C24A C 0.5604(3) 0.67713(16) -0.09783(13) 0.0195(5) Uani 1 1 d . . . . .
H24A H 0.485818 0.641499 -0.074571 0.023 Uiso 1 1 calc R U . . .
C25A C 0.6881(3) 0.63430(17) -0.10776(14) 0.0238(6) Uani 1 1 d . . . . .
H25A H 0.660807 0.587757 -0.138279 0.036 Uiso 1 1 calc R U . . .
H25B H 0.719160 0.619933 -0.062402 0.036 Uiso 1 1 calc R U . . .
H25C H 0.765513 0.667920 -0.128937 0.036 Uiso 1 1 calc R U . . .
C26A C 0.4982(3) 0.69245(18) -0.16844(13) 0.0249(6) Uani 1 1 d . . . . .
H26A H 0.569394 0.725589 -0.194064 0.037 Uiso 1 1 calc R U . . .
H26B H 0.415121 0.718066 -0.160846 0.037 Uiso 1 1 calc R U . . .
H26C H 0.470356 0.643484 -0.195493 0.037 Uiso 1 1 calc R U . . .
C27A C 0.2039(3) 0.67623(16) 0.13437(13) 0.0209(5) Uani 1 1 d . . . . .
H27A H 0.272853 0.691194 0.173827 0.025 Uiso 1 1 calc R U . . .
C28A C 0.1049(3) 0.73694(19) 0.13725(16) 0.0296(6) Uani 1 1 d . . . . .
H28A H 0.028534 0.722173 0.102698 0.044 Uiso 1 1 calc R U . . .
H28B H 0.158284 0.787050 0.126995 0.044 Uiso 1 1 calc R U . . .
H28C H 0.064446 0.740404 0.183885 0.044 Uiso 1 1 calc R U . . .
C29A C 0.1230(3) 0.59634(19) 0.14991(15) 0.0309(7) Uani 1 1 d . . . . .
H29A H 0.072736 0.600239 0.193988 0.046 Uiso 1 1 calc R U . . .
H29B H 0.190122 0.559907 0.153433 0.046 Uiso 1 1 calc R U . . .
H29C H 0.054799 0.578147 0.112167 0.046 Uiso 1 1 calc R U . . .
C30A C 0.2107(3) 0.62213(16) -0.02726(13) 0.0209(5) Uani 1 1 d . . . . .
H30A H 0.258980 0.644602 -0.069089 0.025 Uiso 1 1 calc R U . . .
C31A C 0.2150(3) 0.53529(18) -0.03484(16) 0.0311(7) Uani 1 1 d . . . . .
H31A H 0.170515 0.510609 0.005643 0.047 Uiso 1 1 calc R U . . .
H31B H 0.313531 0.526497 -0.037653 0.047 Uiso 1 1 calc R U . . .
H31C H 0.163733 0.513287 -0.077349 0.047 Uiso 1 1 calc R U . . .
C32A C 0.0577(3) 0.63793(19) -0.03092(15) 0.0277(6) Uani 1 1 d . . . . .
H32A H 0.012277 0.613199 -0.073973 0.042 Uiso 1 1 calc R U . . .
H32B H 0.057375 0.693599 -0.030430 0.042 Uiso 1 1 calc R U . . .
H32C H 0.005597 0.617070 0.009304 0.042 Uiso 1 1 calc R U . . .
Rh1B Rh -0.03635(2) 0.77696(2) 0.58369(2) 0.00970(5) Uani 1 1 d . . . . .
I1B I -0.12000(2) 0.87723(2) 0.67180(2) 0.02342(5) Uani 1 1 d . . . . .
P1B P -0.02075(6) 0.71148(3) 0.48349(3) 0.00890(11) Uani 1 1 d . . . . .
Si1B Si 0.20551(7) 0.80970(4) 0.58390(3) 0.01108(12) Uani 1 1 d . . . . .
Si2B Si -0.04829(6) 0.66433(4) 0.64021(3) 0.00983(12) Uani 1 1 d . . . . .
C1B C 0.2953(2) 0.72465(14) 0.55368(12) 0.0122(5) Uani 1 1 d . . . . .
H1B1 H 0.398071 0.738519 0.563179 0.015 Uiso 1 1 calc R U . . .
H1B2 H 0.259856 0.680699 0.582020 0.015 Uiso 1 1 calc R U . . .
C2B C 0.2741(2) 0.69861(13) 0.47811(12) 0.0106(4) Uani 1 1 d . . . . .
C3B C 0.3921(3) 0.68456(13) 0.43884(13) 0.0135(5) Uani 1 1 d . . . . .
H3B H 0.483286 0.694724 0.460183 0.016 Uiso 1 1 calc R U . . .
C4B C 0.3794(3) 0.65633(14) 0.36991(13) 0.0154(5) Uani 1 1 d . . . . .
H4B H 0.461410 0.648472 0.344436 0.018 Uiso 1 1 calc R U . . .
C5B C 0.2471(3) 0.63955(14) 0.33813(12) 0.0154(5) Uani 1 1 d . . . . .
H5B H 0.237508 0.618578 0.291384 0.018 Uiso 1 1 calc R U . . .
C6B C 0.1287(3) 0.65368(14) 0.37526(12) 0.0134(5) Uani 1 1 d . . . . .
H6B H 0.037978 0.641871 0.353628 0.016 Uiso 1 1 calc R U . . .
C7B C 0.1407(2) 0.68512(13) 0.44424(12) 0.0104(4) Uani 1 1 d . . . . .
C8B C -0.1458(2) 0.62224(13) 0.47226(12) 0.0107(4) Uani 1 1 d . . . . .
C9B C -0.2510(3) 0.60982(14) 0.42019(12) 0.0145(5) Uani 1 1 d . . . . .
H9B H -0.256671 0.648232 0.388037 0.017 Uiso 1 1 calc R U . . .
C10B C -0.3471(3) 0.54190(15) 0.41508(13) 0.0159(5) Uani 1 1 d . . . . .
H10B H -0.416829 0.533521 0.379008 0.019 Uiso 1 1 calc R U . . .
C11B C -0.3408(3) 0.48652(14) 0.46276(13) 0.0148(5) Uani 1 1 d . . . . .
H11B H -0.406977 0.440256 0.459851 0.018 Uiso 1 1 calc R U . . .
C12B C -0.2375(3) 0.49880(13) 0.51490(12) 0.0125(5) Uani 1 1 d . . . . .
H12B H -0.234327 0.460608 0.547548 0.015 Uiso 1 1 calc R U . . .
C13B C -0.1385(2) 0.56578(13) 0.52040(11) 0.0105(4) Uani 1 1 d . . . . .
C14B C -0.0299(2) 0.57806(13) 0.57814(11) 0.0105(4) Uani 1 1 d . . . . .
H14C H 0.065676 0.585772 0.557632 0.013 Uiso 1 1 calc R U . . .
H14D H -0.038780 0.531204 0.604877 0.013 Uiso 1 1 calc R U . . .
C15B C -0.0821(3) 0.77588(13) 0.42288(12) 0.0119(4) Uani 1 1 d . . . . .
C16B C -0.0036(3) 0.80687(14) 0.36749(13) 0.0155(5) Uani 1 1 d . . . . .
H16B H 0.086156 0.792391 0.357516 0.019 Uiso 1 1 calc R U . . .
C17B C -0.0568(3) 0.85920(15) 0.32662(13) 0.0198(5) Uani 1 1 d . . . . .
H17B H -0.002692 0.880740 0.289226 0.024 Uiso 1 1 calc R U . . .
C18B C -0.1881(3) 0.87968(15) 0.34055(13) 0.0210(6) Uani 1 1 d . . . . .
H18B H -0.224636 0.914514 0.312083 0.025 Uiso 1 1 calc R U . . .
C19B C -0.2664(3) 0.84981(15) 0.39559(14) 0.0200(5) Uani 1 1 d . . . . .
H19B H -0.356289 0.864308 0.405068 0.024 Uiso 1 1 calc R U . . .
C20B C -0.2136(3) 0.79862(14) 0.43704(13) 0.0160(5) Uani 1 1 d . . . . .
H20B H -0.267061 0.778816 0.475329 0.019 Uiso 1 1 calc R U . . .
C21B C 0.2488(3) 0.87999(15) 0.51249(13) 0.0189(5) Uani 1 1 d . . . . .
H21B H 0.219283 0.849738 0.467805 0.023 Uiso 1 1 calc R U . . .
C22B C 0.4101(3) 0.90370(17) 0.50773(15) 0.0284(6) Uani 1 1 d . . . . .
H22D H 0.431951 0.934508 0.467201 0.043 Uiso 1 1 calc R U . . .
H22E H 0.455479 0.857453 0.502803 0.043 Uiso 1 1 calc R U . . .
H22F H 0.445628 0.934234 0.550170 0.043 Uiso 1 1 calc R U . . .
C23B C 0.1702(4) 0.94950(16) 0.51386(15) 0.0308(7) Uani 1 1 d . . . . .
H23D H 0.195221 0.981777 0.556694 0.046 Uiso 1 1 calc R U . . .
H23E H 0.068032 0.931610 0.512383 0.046 Uiso 1 1 calc R U . . .
H23F H 0.197134 0.979595 0.473369 0.046 Uiso 1 1 calc R U . . .
C24B C 0.2816(3) 0.84731(14) 0.67391(13) 0.0164(5) Uani 1 1 d . . . . .
H24B H 0.215001 0.822249 0.708745 0.020 Uiso 1 1 calc R U . . .
C25B C 0.4265(3) 0.82466(17) 0.68953(15) 0.0243(6) Uani 1 1 d . . . . .
H25D H 0.495095 0.846203 0.655382 0.036 Uiso 1 1 calc R U . . .
H25E H 0.418929 0.768404 0.686700 0.036 Uiso 1 1 calc R U . . .
H25F H 0.458156 0.844900 0.736472 0.036 Uiso 1 1 calc R U . . .
C26B C 0.2874(3) 0.93444(16) 0.68789(15) 0.0251(6) Uani 1 1 d . . . . .
H26D H 0.318340 0.949074 0.736120 0.038 Uiso 1 1 calc R U . . .
H26E H 0.193275 0.948104 0.680461 0.038 Uiso 1 1 calc R U . . .
H26F H 0.354428 0.961799 0.656013 0.038 Uiso 1 1 calc R U . . .
C27B C -0.2363(3) 0.64929(14) 0.67586(12) 0.0143(5) Uani 1 1 d . . . . .
H27B H -0.236979 0.686687 0.717017 0.017 Uiso 1 1 calc R U . . .
C28B C -0.3508(3) 0.66517(16) 0.62492(13) 0.0190(5) Uani 1 1 d . . . . .
H28D H -0.352876 0.629973 0.583379 0.029 Uiso 1 1 calc R U . . .
H28E H -0.329451 0.718486 0.611356 0.029 Uiso 1 1 calc R U . . .
H28F H -0.443096 0.657198 0.647516 0.029 Uiso 1 1 calc R U . . .
C29B C -0.2765(3) 0.56840(16) 0.70256(14) 0.0213(5) Uani 1 1 d . . . . .
H29D H -0.370994 0.563624 0.722857 0.032 Uiso 1 1 calc R U . . .
H29E H -0.207697 0.560160 0.738150 0.032 Uiso 1 1 calc R U . . .
H29F H -0.276372 0.529788 0.663724 0.032 Uiso 1 1 calc R U . . .
C30B C 0.0869(3) 0.66451(14) 0.71364(12) 0.0149(5) Uani 1 1 d . . . . .
H30B H 0.176889 0.695601 0.698563 0.018 Uiso 1 1 calc R U . . .
C31B C 0.1213(3) 0.58406(16) 0.72770(15) 0.0253(6) Uani 1 1 d . . . . .
H31D H 0.187519 0.588288 0.767242 0.038 Uiso 1 1 calc R U . . .
H31E H 0.164290 0.562644 0.686269 0.038 Uiso 1 1 calc R U . . .
H31F H 0.034050 0.550079 0.738528 0.038 Uiso 1 1 calc R U . . .
C32B C 0.0434(3) 0.70470(17) 0.78111(13) 0.0223(6) Uani 1 1 d . . . . .
H32D H -0.041489 0.674278 0.799422 0.033 Uiso 1 1 calc R U . . .
H32E H 0.023331 0.756054 0.771563 0.033 Uiso 1 1 calc R U . . .
H32F H 0.120463 0.709513 0.815543 0.033 Uiso 1 1 calc R 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
Rh1A P1A 2.2021(6) . ?
Rh1A Si2A 2.2960(7) . ?
Rh1A Si1A 2.3112(6) . ?
Rh1A I1A 2.6004(2) . ?
P1A C7A 1.820(3) . ?
P1A C15A 1.833(2) . ?
P1A C8A 1.838(2) . ?
Si1A C21A 1.908(3) . ?
Si1A C1A 1.910(3) . ?
Si1A C24A 1.915(3) . ?
Si2A C14A 1.896(3) . ?
Si2A C27A 1.907(3) . ?
Si2A C30A 1.919(3) . ?
C1A C2A 1.501(4) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
C2A C3A 1.391(4) . ?
C2A C7A 1.410(3) . ?
C3A C4A 1.385(4) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.389(4) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.386(4) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.400(4) . ?
C6A H6A 0.9500 . ?
C8A C9A 1.399(3) . ?
C8A C13A 1.402(4) . ?
C9A C10A 1.380(4) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.383(4) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.383(4) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.409(4) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.509(3) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A C20A 1.389(3) . ?
C15A C16A 1.400(4) . ?
C16A C17A 1.389(4) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.386(4) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.378(4) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.396(4) . ?
C19A H19A 0.9500 . ?
C20A H20A 0.9500 . ?
C21A C22A 1.535(4) . ?
C21A C23A 1.541(4) . ?
C21A H21A 1.0000 . ?
C22A H22A 0.9800 . ?
C22A H22B 0.9800 . ?
C22A H22C 0.9800 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A C26A 1.535(4) . ?
C24A C25A 1.538(4) . ?
C24A H24A 1.0000 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C27A C28A 1.533(4) . ?
C27A C29A 1.543(4) . ?
C27A H27A 1.0000 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C30A C32A 1.534(4) . ?
C30A C31A 1.534(4) . ?
C30A H30A 1.0000 . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
Rh1B P1B 2.2040(6) . ?
Rh1B Si1B 2.2975(7) . ?
Rh1B Si2B 2.3039(6) . ?
Rh1B I1B 2.5924(2) . ?
P1B C8B 1.823(2) . ?
P1B C15B 1.828(2) . ?
P1B C7B 1.833(2) . ?
Si1B C1B 1.902(2) . ?
Si1B C21B 1.906(3) . ?
Si1B C24B 1.916(2) . ?
Si2B C14B 1.906(2) . ?
Si2B C30B 1.911(2) . ?
Si2B C27B 1.913(2) . ?
C1B C2B 1.501(3) . ?
C1B H1B1 0.9900 . ?
C1B H1B2 0.9900 . ?
C2B C3B 1.406(3) . ?
C2B C7B 1.412(3) . ?
C3B C4B 1.386(3) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.387(4) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.388(3) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.404(3) . ?
C6B H6B 0.9500 . ?
C8B C9B 1.401(3) . ?
C8B C13B 1.406(3) . ?
C9B C10B 1.390(4) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.384(4) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.390(3) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.393(3) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.502(3) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B C16B 1.394(3) . ?
C15B C20B 1.401(3) . ?
C16B C17B 1.397(4) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.382(4) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.381(4) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.387(4) . ?
C19B H19B 0.9500 . ?
C20B H20B 0.9500 . ?
C21B C23B 1.531(4) . ?
C21B C22B 1.541(4) . ?
C21B H21B 1.0000 . ?
C22B H22D 0.9800 . ?
C22B H22E 0.9800 . ?
C22B H22F 0.9800 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B C26B 1.534(4) . ?
C24B C25B 1.535(4) . ?
C24B H24B 1.0000 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27B C29B 1.535(4) . ?
C27B C28B 1.536(3) . ?
C27B H27B 1.0000 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B C32B 1.531(3) . ?
C30B C31B 1.541(4) . ?
C30B H30B 1.0000 . ?
C31B H31D 0.9800 . ?
C31B H31E 0.9800 . ?
C31B H31F 0.9800 . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1A Rh1A Si2A 86.60(2) . . ?
P1A Rh1A Si1A 88.62(2) . . ?
Si2A Rh1A Si1A 98.97(2) . . ?
P1A Rh1A I1A 161.285(18) . . ?
Si2A Rh1A I1A 108.071(18) . . ?
Si1A Rh1A I1A 100.115(18) . . ?
C7A P1A C15A 104.20(11) . . ?
C7A P1A C8A 100.88(11) . . ?
C15A P1A C8A 105.00(11) . . ?
C7A P1A Rh1A 111.40(8) . . ?
C15A P1A Rh1A 107.12(8) . . ?
C8A P1A Rh1A 126.18(8) . . ?
C21A Si1A C1A 106.53(12) . . ?
C21A Si1A C24A 110.44(12) . . ?
C1A Si1A C24A 107.89(11) . . ?
C21A Si1A Rh1A 104.71(8) . . ?
C1A Si1A Rh1A 112.59(8) . . ?
C24A Si1A Rh1A 114.39(8) . . ?
C14A Si2A C27A 104.04(12) . . ?
C14A Si2A C30A 106.96(12) . . ?
C27A Si2A C30A 113.53(12) . . ?
C14A Si2A Rh1A 113.33(9) . . ?
C27A Si2A Rh1A 108.75(9) . . ?
C30A Si2A Rh1A 110.18(9) . . ?
C2A C1A Si1A 111.56(17) . . ?
C2A C1A H1A1 109.3 . . ?
Si1A C1A H1A1 109.3 . . ?
C2A C1A H1A2 109.3 . . ?
Si1A C1A H1A2 109.3 . . ?
H1A1 C1A H1A2 108.0 . . ?
C3A C2A C7A 117.8(2) . . ?
C3A C2A C1A 121.3(2) . . ?
C7A C2A C1A 120.8(2) . . ?
C4A C3A C2A 121.8(3) . . ?
C4A C3A H3A 119.1 . . ?
C2A C3A H3A 119.1 . . ?
C3A C4A C5A 120.2(3) . . ?
C3A C4A H4A 119.9 . . ?
C5A C4A H4A 119.9 . . ?
C6A C5A C4A 119.3(3) . . ?
C6A C5A H5A 120.4 . . ?
C4A C5A H5A 120.4 . . ?
C5A C6A C7A 120.7(2) . . ?
C5A C6A H6A 119.7 . . ?
C7A C6A H6A 119.7 . . ?
C6A C7A C2A 120.2(2) . . ?
C6A C7A P1A 122.79(19) . . ?
C2A C7A P1A 116.95(19) . . ?
C9A C8A C13A 119.7(2) . . ?
C9A C8A P1A 115.35(19) . . ?
C13A C8A P1A 124.86(18) . . ?
C10A C9A C8A 121.4(2) . . ?
C10A C9A H9A 119.3 . . ?
C8A C9A H9A 119.3 . . ?
C9A C10A C11A 119.5(2) . . ?
C9A C10A H10A 120.3 . . ?
C11A C10A H10A 120.3 . . ?
C12A C11A C10A 119.8(2) . . ?
C12A C11A H11A 120.1 . . ?
C10A C11A H11A 120.1 . . ?
C11A C12A C13A 121.9(2) . . ?
C11A C12A H12A 119.1 . . ?
C13A C12A H12A 119.1 . . ?
C8A C13A C12A 117.5(2) . . ?
C8A C13A C14A 124.5(2) . . ?
C12A C13A C14A 117.8(2) . . ?
C13A C14A Si2A 118.67(18) . . ?
C13A C14A H14A 107.6 . . ?
Si2A C14A H14A 107.6 . . ?
C13A C14A H14B 107.6 . . ?
Si2A C14A H14B 107.6 . . ?
H14A C14A H14B 107.1 . . ?
C20A C15A C16A 118.7(2) . . ?
C20A C15A P1A 124.21(19) . . ?
C16A C15A P1A 117.04(19) . . ?
C17A C16A C15A 120.9(2) . . ?
C17A C16A H16A 119.6 . . ?
C15A C16A H16A 119.6 . . ?
C18A C17A C16A 119.7(3) . . ?
C18A C17A H17A 120.2 . . ?
C16A C17A H17A 120.2 . . ?
C19A C18A C17A 120.0(2) . . ?
C19A C18A H18A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C18A C19A C20A 120.5(2) . . ?
C18A C19A H19A 119.7 . . ?
C20A C19A H19A 119.7 . . ?
C15A C20A C19A 120.2(2) . . ?
C15A C20A H20A 119.9 . . ?
C19A C20A H20A 119.9 . . ?
C22A C21A C23A 110.1(2) . . ?
C22A C21A Si1A 114.94(18) . . ?
C23A C21A Si1A 110.62(19) . . ?
C22A C21A H21A 106.9 . . ?
C23A C21A H21A 106.9 . . ?
Si1A C21A H21A 106.9 . . ?
C21A C22A H22A 109.5 . . ?
C21A C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C21A C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C21A C23A H23A 109.5 . . ?
C21A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C21A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C26A C24A C25A 110.9(2) . . ?
C26A C24A Si1A 112.64(19) . . ?
C25A C24A Si1A 113.03(18) . . ?
C26A C24A H24A 106.6 . . ?
C25A C24A H24A 106.6 . . ?
Si1A C24A H24A 106.6 . . ?
C24A C25A H25A 109.5 . . ?
C24A C25A H25B 109.5 . . ?
H25A C25A H25B 109.5 . . ?
C24A C25A H25C 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C24A C26A H26A 109.5 . . ?
C24A C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C24A C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C28A C27A C29A 110.9(2) . . ?
C28A C27A Si2A 115.49(19) . . ?
C29A C27A Si2A 112.1(2) . . ?
C28A C27A H27A 105.8 . . ?
C29A C27A H27A 105.8 . . ?
Si2A C27A H27A 105.8 . . ?
C27A C28A H28A 109.5 . . ?
C27A C28A H28B 109.5 . . ?
H28A C28A H28B 109.5 . . ?
C27A C28A H28C 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C27A C29A H29A 109.5 . . ?
C27A C29A H29B 109.5 . . ?
H29A C29A H29B 109.5 . . ?
C27A C29A H29C 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C32A C30A C31A 110.6(2) . . ?
C32A C30A Si2A 113.61(19) . . ?
C31A C30A Si2A 113.20(19) . . ?
C32A C30A H30A 106.3 . . ?
C31A C30A H30A 106.3 . . ?
Si2A C30A H30A 106.3 . . ?
C30A C31A H31A 109.5 . . ?
C30A C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
C30A C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
C30A C32A H32A 109.5 . . ?
C30A C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C30A C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
P1B Rh1B Si1B 88.29(2) . . ?
P1B Rh1B Si2B 89.44(2) . . ?
Si1B Rh1B Si2B 97.92(2) . . ?
P1B Rh1B I1B 157.885(17) . . ?
Si1B Rh1B I1B 104.168(17) . . ?
Si2B Rh1B I1B 106.474(16) . . ?
C8B P1B C15B 104.91(11) . . ?
C8B P1B C7B 102.88(10) . . ?
C15B P1B C7B 104.59(11) . . ?
C8B P1B Rh1B 114.60(7) . . ?
C15B P1B Rh1B 100.95(8) . . ?
C7B P1B Rh1B 126.64(8) . . ?
C1B Si1B C21B 103.41(11) . . ?
C1B Si1B C24B 107.90(11) . . ?
C21B Si1B C24B 114.37(12) . . ?
C1B Si1B Rh1B 111.57(8) . . ?
C21B Si1B Rh1B 106.51(9) . . ?
C24B Si1B Rh1B 112.74(8) . . ?
C14B Si2B C30B 106.39(11) . . ?
C14B Si2B C27B 107.76(11) . . ?
C30B Si2B C27B 110.50(11) . . ?
C14B Si2B Rh1B 112.48(7) . . ?
C30B Si2B Rh1B 116.06(8) . . ?
C27B Si2B Rh1B 103.43(8) . . ?
C2B C1B Si1B 115.56(16) . . ?
C2B C1B H1B1 108.4 . . ?
Si1B C1B H1B1 108.4 . . ?
C2B C1B H1B2 108.4 . . ?
Si1B C1B H1B2 108.4 . . ?
H1B1 C1B H1B2 107.5 . . ?
C3B C2B C7B 117.6(2) . . ?
C3B C2B C1B 118.8(2) . . ?
C7B C2B C1B 123.6(2) . . ?
C4B C3B C2B 122.0(2) . . ?
C4B C3B H3B 119.0 . . ?
C2B C3B H3B 119.0 . . ?
C3B C4B C5B 120.0(2) . . ?
C3B C4B H4B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C4B C5B C6B 119.4(2) . . ?
C4B C5B H5B 120.3 . . ?
C6B C5B H5B 120.3 . . ?
C5B C6B C7B 121.2(2) . . ?
C5B C6B H6B 119.4 . . ?
C7B C6B H6B 119.4 . . ?
C6B C7B C2B 119.7(2) . . ?
C6B C7B P1B 116.53(18) . . ?
C2B C7B P1B 123.66(17) . . ?
C9B C8B C13B 119.6(2) . . ?
C9B C8B P1B 122.71(18) . . ?
C13B C8B P1B 117.60(17) . . ?
C10B C9B C8B 120.7(2) . . ?
C10B C9B H9B 119.6 . . ?
C8B C9B H9B 119.6 . . ?
C11B C10B C9B 119.7(2) . . ?
C11B C10B H10B 120.1 . . ?
C9B C10B H10B 120.1 . . ?
C10B C11B C12B 119.8(2) . . ?
C10B C11B H11B 120.1 . . ?
C12B C11B H11B 120.1 . . ?
C11B C12B C13B 121.6(2) . . ?
C11B C12B H12B 119.2 . . ?
C13B C12B H12B 119.2 . . ?
C12B C13B C8B 118.6(2) . . ?
C12B C13B C14B 120.3(2) . . ?
C8B C13B C14B 121.1(2) . . ?
C13B C14B Si2B 112.92(15) . . ?
C13B C14B H14C 109.0 . . ?
Si2B C14B H14C 109.0 . . ?
C13B C14B H14D 109.0 . . ?
Si2B C14B H14D 109.0 . . ?
H14C C14B H14D 107.8 . . ?
C16B C15B C20B 119.0(2) . . ?
C16B C15B P1B 124.52(19) . . ?
C20B C15B P1B 116.35(18) . . ?
C15B C16B C17B 120.1(2) . . ?
C15B C16B H16B 120.0 . . ?
C17B C16B H16B 120.0 . . ?
C18B C17B C16B 120.1(2) . . ?
C18B C17B H17B 120.0 . . ?
C16B C17B H17B 120.0 . . ?
C19B C18B C17B 120.4(2) . . ?
C19B C18B H18B 119.8 . . ?
C17B C18B H18B 119.8 . . ?
C18B C19B C20B 119.9(2) . . ?
C18B C19B H19B 120.0 . . ?
C20B C19B H19B 120.0 . . ?
C19B C20B C15B 120.5(2) . . ?
C19B C20B H20B 119.7 . . ?
C15B C20B H20B 119.7 . . ?
C23B C21B C22B 112.2(2) . . ?
C23B C21B Si1B 117.00(19) . . ?
C22B C21B Si1B 110.08(19) . . ?
C23B C21B H21B 105.5 . . ?
C22B C21B H21B 105.5 . . ?
Si1B C21B H21B 105.5 . . ?
C21B C22B H22D 109.5 . . ?
C21B C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
C21B C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C21B C23B H23D 109.5 . . ?
C21B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C21B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C26B C24B C25B 109.9(2) . . ?
C26B C24B Si1B 113.60(18) . . ?
C25B C24B Si1B 113.85(17) . . ?
C26B C24B H24B 106.3 . . ?
C25B C24B H24B 106.3 . . ?
Si1B C24B H24B 106.3 . . ?
C24B C25B H25D 109.5 . . ?
C24B C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C24B C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C24B C26B H26D 109.5 . . ?
C24B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C24B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C29B C27B C28B 109.6(2) . . ?
C29B C27B Si2B 111.56(17) . . ?
C28B C27B Si2B 114.75(17) . . ?
C29B C27B H27B 106.8 . . ?
C28B C27B H27B 106.8 . . ?
Si2B C27B H27B 106.8 . . ?
C27B C28B H28D 109.5 . . ?
C27B C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C27B C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C27B C29B H29D 109.5 . . ?
C27B C29B H29E 109.5 . . ?
H29D C29B H29E 109.5 . . ?
C27B C29B H29F 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C32B C30B C31B 110.4(2) . . ?
C32B C30B Si2B 111.89(17) . . ?
C31B C30B Si2B 114.03(17) . . ?
C32B C30B H30B 106.7 . . ?
C31B C30B H30B 106.7 . . ?
Si2B C30B H30B 106.7 . . ?
C30B C31B H31D 109.5 . . ?
C30B C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
C30B C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C30B C32B H32D 109.5 . . ?
C30B C32B H32E 109.5 . . ?
H32D C32B H32E 109.5 . . ?
C30B C32B H32F 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1A C1A C2A C3A -117.1(2) . . . . ?
Si1A C1A C2A C7A 60.6(3) . . . . ?
C7A C2A C3A C4A -1.5(4) . . . . ?
C1A C2A C3A C4A 176.2(3) . . . . ?
C2A C3A C4A C5A 0.7(5) . . . . ?
C3A C4A C5A C6A 0.1(5) . . . . ?
C4A C5A C6A C7A -0.1(4) . . . . ?
C5A C6A C7A C2A -0.7(4) . . . . ?
C5A C6A C7A P1A -179.1(2) . . . . ?
C3A C2A C7A C6A 1.5(4) . . . . ?
C1A C2A C7A C6A -176.2(2) . . . . ?
C3A C2A C7A P1A 179.9(2) . . . . ?
C1A C2A C7A P1A 2.2(3) . . . . ?
C15A P1A C7A C6A -3.5(2) . . . . ?
C8A P1A C7A C6A -112.2(2) . . . . ?
Rh1A P1A C7A C6A 111.7(2) . . . . ?
C15A P1A C7A C2A 178.09(19) . . . . ?
C8A P1A C7A C2A 69.4(2) . . . . ?
Rh1A P1A C7A C2A -66.7(2) . . . . ?
C7A P1A C8A C9A 42.4(2) . . . . ?
C15A P1A C8A C9A -65.7(2) . . . . ?
Rh1A P1A C8A C9A 169.35(14) . . . . ?
C7A P1A C8A C13A -135.1(2) . . . . ?
C15A P1A C8A C13A 116.8(2) . . . . ?
Rh1A P1A C8A C13A -8.2(3) . . . . ?
C13A C8A C9A C10A -2.2(4) . . . . ?
P1A C8A C9A C10A -179.8(2) . . . . ?
C8A C9A C10A C11A -1.3(4) . . . . ?
C9A C10A C11A C12A 2.2(4) . . . . ?
C10A C11A C12A C13A 0.2(4) . . . . ?
C9A C8A C13A C12A 4.4(3) . . . . ?
P1A C8A C13A C12A -178.16(19) . . . . ?
C9A C8A C13A C14A -170.0(2) . . . . ?
P1A C8A C13A C14A 7.5(4) . . . . ?
C11A C12A C13A C8A -3.5(4) . . . . ?
C11A C12A C13A C14A 171.3(2) . . . . ?
C8A C13A C14A Si2A -35.6(3) . . . . ?
C12A C13A C14A Si2A 150.0(2) . . . . ?
C27A Si2A C14A C13A -56.8(2) . . . . ?
C30A Si2A C14A C13A -177.24(19) . . . . ?
Rh1A Si2A C14A C13A 61.1(2) . . . . ?
C7A P1A C15A C20A -107.4(2) . . . . ?
C8A P1A C15A C20A -1.8(2) . . . . ?
Rh1A P1A C15A C20A 134.4(2) . . . . ?
C7A P1A C15A C16A 73.9(2) . . . . ?
C8A P1A C15A C16A 179.5(2) . . . . ?
Rh1A P1A C15A C16A -44.2(2) . . . . ?
C20A C15A C16A C17A 1.2(4) . . . . ?
P1A C15A C16A C17A 180.0(2) . . . . ?
C15A C16A C17A C18A -0.8(5) . . . . ?
C16A C17A C18A C19A -0.2(5) . . . . ?
C17A C18A C19A C20A 0.7(4) . . . . ?
C16A C15A C20A C19A -0.7(4) . . . . ?
P1A C15A C20A C19A -179.3(2) . . . . ?
C18A C19A C20A C15A -0.3(4) . . . . ?
Si1B C1B C2B C3B 133.21(19) . . . . ?
Si1B C1B C2B C7B -48.7(3) . . . . ?
C7B C2B C3B C4B -1.9(3) . . . . ?
C1B C2B C3B C4B 176.3(2) . . . . ?
C2B C3B C4B C5B -1.4(4) . . . . ?
C3B C4B C5B C6B 2.1(4) . . . . ?
C4B C5B C6B C7B 0.4(4) . . . . ?
C5B C6B C7B C2B -3.7(3) . . . . ?
C5B C6B C7B P1B 172.93(18) . . . . ?
C3B C2B C7B C6B 4.3(3) . . . . ?
C1B C2B C7B C6B -173.8(2) . . . . ?
C3B C2B C7B P1B -172.05(17) . . . . ?
C1B C2B C7B P1B 9.8(3) . . . . ?
C8B P1B C7B C6B 54.9(2) . . . . ?
C15B P1B C7B C6B -54.5(2) . . . . ?
Rh1B P1B C7B C6B -170.49(14) . . . . ?
C8B P1B C7B C2B -128.6(2) . . . . ?
C15B P1B C7B C2B 122.0(2) . . . . ?
Rh1B P1B C7B C2B 6.0(2) . . . . ?
C15B P1B C8B C9B 7.0(2) . . . . ?
C7B P1B C8B C9B -102.2(2) . . . . ?
Rh1B P1B C8B C9B 116.75(18) . . . . ?
C15B P1B C8B C13B -170.02(17) . . . . ?
C7B P1B C8B C13B 80.81(19) . . . . ?
Rh1B P1B C8B C13B -60.27(19) . . . . ?
C13B C8B C9B C10B -0.8(3) . . . . ?
P1B C8B C9B C10B -177.77(19) . . . . ?
C8B C9B C10B C11B 1.3(4) . . . . ?
C9B C10B C11B C12B -0.7(4) . . . . ?
C10B C11B C12B C13B -0.4(4) . . . . ?
C11B C12B C13B C8B 0.9(3) . . . . ?
C11B C12B C13B C14B 178.8(2) . . . . ?
C9B C8B C13B C12B -0.3(3) . . . . ?
P1B C8B C13B C12B 176.83(17) . . . . ?
C9B C8B C13B C14B -178.2(2) . . . . ?
P1B C8B C13B C14B -1.1(3) . . . . ?
C12B C13B C14B Si2B -116.5(2) . . . . ?
C8B C13B C14B Si2B 61.4(2) . . . . ?
C8B P1B C15B C16B -118.6(2) . . . . ?
C7B P1B C15B C16B -10.6(2) . . . . ?
Rh1B P1B C15B C16B 122.1(2) . . . . ?
C8B P1B C15B C20B 65.7(2) . . . . ?
C7B P1B C15B C20B 173.66(18) . . . . ?
Rh1B P1B C15B C20B -53.61(19) . . . . ?
C20B C15B C16B C17B -0.6(4) . . . . ?
P1B C15B C16B C17B -176.19(19) . . . . ?
C15B C16B C17B C18B -0.7(4) . . . . ?
C16B C17B C18B C19B 1.2(4) . . . . ?
C17B C18B C19B C20B -0.3(4) . . . . ?
C18B C19B C20B C15B -1.0(4) . . . . ?
C16B C15B C20B C19B 1.5(4) . . . . ?
P1B C15B C20B C19B 177.43(19) . . . . ?

_refine_diff_density_max         0.841
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.090



####################################################################### 
# 
# 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_Rh4
_database_code_depnum_ccdc_archive 'CCDC 2031073'
loop_
_audit_author_name
_audit_author_address
'Bruno M Donnadieu'
;Mississippi State University 
United States of America
;
_audit_update_record             
;
2020-09-08 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H51 F3 O3 P Rh S Si2'
_chemical_formula_sum            'C39 H51 F3 O3 P Rh S Si2'
_chemical_formula_weight         846.91

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   11.7311(8)
_cell_length_b                   21.7488(15)
_cell_length_c                   15.5316(11)
_cell_angle_alpha                90
_cell_angle_beta                 93.067(2)
_cell_angle_gamma                90
_cell_volume                     3957.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2178
_cell_measurement_theta_min      3.500
_cell_measurement_theta_max      72.761

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_F_000             1760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.334
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.099
_exptl_absorpt_coefficient_mu    5.361
_shelx_estimated_absorpt_T_min   0.268
_shelx_estimated_absorpt_T_max   0.620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.268
_exptl_absorpt_correction_T_max  0.620
_exptl_absorpt_process_details   Sadabs
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS D8 Venture  '
_diffrn_measurement_method       'profile data from θ/2θ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53650
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.500
_diffrn_reflns_theta_max         72.761
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7861
_reflns_number_gt                7579
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 v2019.1.0'
_computing_cell_refinement       'APEX3 v2019.1.0'
_computing_data_reduction        'Saint, APEX v2019.1.0.'
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXTL-2018/3
_computing_molecular_graphics    'Mercury V.4.2.0,POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2019.1.0'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0651P)²+2.8680P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7861
_refine_ls_number_parameters     460
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0360
_refine_ls_wR_factor_ref         0.0968
_refine_ls_wR_factor_gt          0.0955
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.69281(2) 0.37325(2) 0.33657(2) 0.01219(8) Uani 1 1 d . . . . .
P1 P 0.74687(4) 0.46980(2) 0.33356(3) 0.01270(12) Uani 1 1 d . . . . .
Si1 Si 0.81270(4) 0.35273(2) 0.22809(3) 0.01424(12) Uani 1 1 d . . . . .
Si2 Si 0.82164(4) 0.35684(2) 0.45146(3) 0.01354(12) Uani 1 1 d . . . . .
C1 C 0.95526(17) 0.39272(9) 0.24447(13) 0.0161(4) Uani 1 1 d . . . . .
H1A H 0.990964 0.379036 0.300414 0.019 Uiso 1 1 calc R U . . .
H1B H 1.004859 0.378492 0.198863 0.019 Uiso 1 1 calc R U . . .
C2 C 0.95458(17) 0.46209(9) 0.24366(13) 0.0155(4) Uani 1 1 d . . . . .
C3 C 1.04072(18) 0.49235(10) 0.20130(13) 0.0173(4) Uani 1 1 d . . . . .
H3 H 1.091943 0.468766 0.169340 0.021 Uiso 1 1 calc R U . . .
C4 C 1.05361(18) 0.55571(10) 0.20453(14) 0.0199(4) Uani 1 1 d . . . . .
H4 H 1.112374 0.574857 0.174380 0.024 Uiso 1 1 calc R U . . .
C5 C 0.98093(19) 0.59124(10) 0.25168(14) 0.0206(4) Uani 1 1 d . . . . .
H5 H 0.991384 0.634451 0.256281 0.025 Uiso 1 1 calc R U . . .
C6 C 0.89287(18) 0.56243(9) 0.29190(14) 0.0181(4) Uani 1 1 d . . . . .
H6 H 0.842114 0.586532 0.323558 0.022 Uiso 1 1 calc R U . . .
C7 C 0.87665(17) 0.49836(9) 0.28707(13) 0.0150(4) Uani 1 1 d . . . . .
C8 C 0.63096(18) 0.50962(9) 0.27249(13) 0.0163(4) Uani 1 1 d . . . . .
C9 C 0.6474(2) 0.54384(10) 0.19835(15) 0.0227(4) Uani 1 1 d . . . . .
H9 H 0.721678 0.547324 0.177252 0.027 Uiso 1 1 calc R U . . .
C10 C 0.5554(2) 0.57298(11) 0.15500(17) 0.0293(5) Uani 1 1 d . . . . .
H10 H 0.566829 0.595687 0.103924 0.035 Uiso 1 1 calc R U . . .
C11 C 0.4472(2) 0.56886(11) 0.18641(17) 0.0300(5) Uani 1 1 d . . . . .
H11 H 0.385132 0.590110 0.158131 0.036 Uiso 1 1 calc R U . . .
C12 C 0.4295(2) 0.53379(11) 0.25897(16) 0.0254(5) Uani 1 1 d . . . . .
H12 H 0.355029 0.530459 0.279760 0.030 Uiso 1 1 calc R U . . .
C13 C 0.52040(19) 0.50350(10) 0.30138(14) 0.0198(4) Uani 1 1 d . . . . .
H13 H 0.507568 0.478561 0.350137 0.024 Uiso 1 1 calc R U . . .
C14 C 0.75289(17) 0.50689(9) 0.43922(13) 0.0157(4) Uani 1 1 d . . . . .
C15 C 0.68458(18) 0.55746(9) 0.45764(14) 0.0181(4) Uani 1 1 d . . . . .
H15 H 0.635031 0.574586 0.413574 0.022 Uiso 1 1 calc R U . . .
C16 C 0.68863(19) 0.58282(10) 0.53987(15) 0.0220(4) Uani 1 1 d . . . . .
H16 H 0.641436 0.616890 0.552024 0.026 Uiso 1 1 calc R U . . .
C17 C 0.76161(19) 0.55835(10) 0.60414(14) 0.0214(4) Uani 1 1 d . . . . .
H17 H 0.764249 0.575406 0.660525 0.026 Uiso 1 1 calc R U . . .
C18 C 0.83097(18) 0.50869(10) 0.58569(14) 0.0187(4) Uani 1 1 d . . . . .
H18 H 0.880847 0.492161 0.630015 0.022 Uiso 1 1 calc R U . . .
C19 C 0.82892(17) 0.48258(9) 0.50342(13) 0.0148(4) Uani 1 1 d . . . . .
C20 C 0.90370(17) 0.42861(9) 0.48579(13) 0.0166(4) Uani 1 1 d . . . . .
H20A H 0.951788 0.419292 0.538500 0.020 Uiso 1 1 calc R U . . .
H20B H 0.955198 0.439928 0.439885 0.020 Uiso 1 1 calc R U . . .
C21 C 0.74349(18) 0.38769(10) 0.12554(14) 0.0183(4) Uani 1 1 d . . . . .
H21 H 0.751954 0.433213 0.132236 0.022 Uiso 1 1 calc R U . . .
C22 C 0.8091(2) 0.37052(12) 0.04560(16) 0.0285(5) Uani 1 1 d . . . . .
H22A H 0.800544 0.326412 0.034069 0.043 Uiso 1 1 calc R U . . .
H22B H 0.890204 0.380323 0.056260 0.043 Uiso 1 1 calc R U . . .
H22C H 0.778408 0.393898 -0.004344 0.043 Uiso 1 1 calc R U . . .
C23 C 0.6154(2) 0.37598(11) 0.10992(17) 0.0259(5) Uani 1 1 d . . . . .
H23A H 0.587403 0.397740 0.057732 0.039 Uiso 1 1 calc R U . . .
H23B H 0.574911 0.390921 0.159387 0.039 Uiso 1 1 calc R U . . .
H23C H 0.601835 0.331772 0.102646 0.039 Uiso 1 1 calc R U . . .
C24 C 0.83879(18) 0.26575(9) 0.22328(14) 0.0189(4) Uani 1 1 d . . . . .
H24 H 0.830433 0.250044 0.283124 0.023 Uiso 1 1 calc R U . . .
C25 C 0.9607(2) 0.24852(11) 0.19961(17) 0.0254(5) Uani 1 1 d . . . . .
H25A H 0.969787 0.203749 0.201881 0.038 Uiso 1 1 calc R U . . .
H25B H 1.016177 0.267743 0.240668 0.038 Uiso 1 1 calc R U . . .
H25C H 0.973646 0.263125 0.141247 0.038 Uiso 1 1 calc R U . . .
C26 C 0.7523(2) 0.22992(11) 0.16541(16) 0.0256(5) Uani 1 1 d . . . . .
H26A H 0.763617 0.239714 0.104865 0.038 Uiso 1 1 calc R U . . .
H26B H 0.674731 0.241391 0.179483 0.038 Uiso 1 1 calc R U . . .
H26C H 0.763382 0.185713 0.174847 0.038 Uiso 1 1 calc R U . . .
C27 C 0.93056(18) 0.29283(9) 0.44207(14) 0.0182(4) Uani 1 1 d . . . . .
H27 H 0.952887 0.292383 0.380830 0.022 Uiso 1 1 calc R U . . .
C28 C 1.0406(2) 0.30314(11) 0.49883(16) 0.0268(5) Uani 1 1 d . . . . .
H28A H 1.022080 0.304623 0.559573 0.040 Uiso 1 1 calc R U . . .
H28B H 1.075886 0.342072 0.482881 0.040 Uiso 1 1 calc R U . . .
H28C H 1.093922 0.269283 0.490145 0.040 Uiso 1 1 calc R U . . .
C29 C 0.8811(2) 0.22921(10) 0.46069(18) 0.0285(5) Uani 1 1 d . . . . .
H29A H 0.937219 0.197472 0.448384 0.043 Uiso 1 1 calc R U . . .
H29B H 0.811422 0.222692 0.424129 0.043 Uiso 1 1 calc R U . . .
H29C H 0.862933 0.226816 0.521468 0.043 Uiso 1 1 calc R U . . .
C30 C 0.71227(17) 0.33750(10) 0.53379(13) 0.0172(4) Uani 1 1 d . . . . .
H30 H 0.683576 0.295144 0.520030 0.021 Uiso 1 1 calc R U . . .
C31 C 0.7649(2) 0.33572(12) 0.62650(14) 0.0244(5) Uani 1 1 d . . . . .
H31A H 0.790443 0.377055 0.643656 0.037 Uiso 1 1 calc R U . . .
H31B H 0.830244 0.307580 0.629424 0.037 Uiso 1 1 calc R U . . .
H31C H 0.707605 0.321388 0.665543 0.037 Uiso 1 1 calc R U . . .
C32 C 0.60803(19) 0.38038(10) 0.52893(15) 0.0193(4) Uani 1 1 d . . . . .
H32A H 0.551185 0.365352 0.567864 0.029 Uiso 1 1 calc R U . . .
H32B H 0.574637 0.381128 0.469737 0.029 Uiso 1 1 calc R U . . .
H32C H 0.631790 0.422007 0.546086 0.029 Uiso 1 1 calc R U . . .
C33 C 0.41077(19) 0.25061(10) 0.38240(15) 0.0222(4) Uani 1 1 d . . . . .
F1 F 0.43650(13) 0.27220(6) 0.46135(9) 0.0298(3) Uani 1 1 d . . . . .
F2 F 0.29961(13) 0.25807(9) 0.36598(11) 0.0425(4) Uani 1 1 d . . . . .
F3 F 0.43359(15) 0.19084(6) 0.38271(10) 0.0364(4) Uani 1 1 d . . . . .
S1 S 0.49086(4) 0.29048(2) 0.30106(3) 0.01652(12) Uani 1 1 d . . . . .
O1 O 0.61021(13) 0.28377(7) 0.33526(10) 0.0192(3) Uani 1 1 d . . . . .
O2 O 0.45402(15) 0.35362(7) 0.30417(11) 0.0244(3) Uani 1 1 d . . . . .
O3 O 0.46358(14) 0.25656(8) 0.22382(10) 0.0248(3) Uani 1 1 d . . . . .
C1S C 0.6260(2) 0.09964(14) 0.49563(17) 0.0338(6) Uani 1 1 d . . . . .
H1S H 0.563773 0.105026 0.454581 0.041 Uiso 1 1 calc R U . . .
C2S C 0.6523(2) 0.14509(14) 0.55460(19) 0.0356(6) Uani 1 1 d . . . . .
H2S H 0.608953 0.182006 0.553741 0.043 Uiso 1 1 calc R U . . .
C3S C 0.7422(3) 0.13731(17) 0.6156(2) 0.0472(8) Uani 1 1 d . . . . .
H3S H 0.759709 0.168205 0.657501 0.057 Uiso 1 1 calc R U . . .
C4S C 0.8061(2) 0.08346(19) 0.6142(2) 0.0550(10) Uani 1 1 d . . . . .
H4S H 0.868581 0.077734 0.654931 0.066 Uiso 1 1 calc R U . . .
C5S C 0.7794(3) 0.03870(18) 0.5546(2) 0.0516(9) Uani 1 1 d . . . . .
H5S H 0.823579 0.002097 0.553898 0.062 Uiso 1 1 calc R U . . .
C6S C 0.6886(3) 0.04663(15) 0.49556(19) 0.0429(7) Uani 1 1 d . . . . .
H6S H 0.669585 0.015224 0.454770 0.051 Uiso 1 1 calc R 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 O1 2.1736(14) . ?
Rh1 P1 2.1948(5) . ?
Rh1 Si1 2.2955(6) . ?
Rh1 Si2 2.3036(5) . ?
P1 C14 1.827(2) . ?
P1 C7 1.828(2) . ?
P1 C8 1.833(2) . ?
Si1 C1 1.890(2) . ?
Si1 C21 1.907(2) . ?
Si1 C24 1.918(2) . ?
Si2 C20 1.895(2) . ?
Si2 C27 1.900(2) . ?
Si2 C30 1.906(2) . ?
C1 C2 1.509(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.399(3) . ?
C2 C7 1.406(3) . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.408(3) . ?
C6 H6 0.9500 . ?
C8 C9 1.393(3) . ?
C8 C13 1.401(3) . ?
C9 C10 1.394(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.399(3) . ?
C14 C19 1.405(3) . ?
C15 C16 1.390(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.499(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C23 1.531(3) . ?
C21 C22 1.542(3) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.532(3) . ?
C24 C25 1.542(3) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C29 1.534(3) . ?
C27 C28 1.540(3) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C32 1.536(3) . ?
C30 C31 1.537(3) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 F2 1.325(3) . ?
C33 F3 1.327(3) . ?
C33 F1 1.333(3) . ?
C33 S1 1.832(2) . ?
S1 O3 1.4299(16) . ?
S1 O2 1.4413(16) . ?
S1 O1 1.4779(16) . ?
C1S C6S 1.368(4) . ?
C1S C2S 1.371(4) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.390(5) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.391(6) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.368(6) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.379(5) . ?
C5S H5S 0.9500 . ?
C6S H6S 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
O1 Rh1 P1 170.27(4) . . ?
O1 Rh1 Si1 96.28(4) . . ?
P1 Rh1 Si1 88.926(19) . . ?
O1 Rh1 Si2 98.17(4) . . ?
P1 Rh1 Si2 89.220(19) . . ?
Si1 Rh1 Si2 97.82(2) . . ?
C14 P1 C7 102.23(9) . . ?
C14 P1 C8 104.37(9) . . ?
C7 P1 C8 104.21(9) . . ?
C14 P1 Rh1 113.62(7) . . ?
C7 P1 Rh1 125.53(7) . . ?
C8 P1 Rh1 104.82(7) . . ?
C1 Si1 C21 105.26(9) . . ?
C1 Si1 C24 108.49(9) . . ?
C21 Si1 C24 114.98(10) . . ?
C1 Si1 Rh1 112.60(7) . . ?
C21 Si1 Rh1 106.58(7) . . ?
C24 Si1 Rh1 109.00(7) . . ?
C20 Si2 C27 106.94(9) . . ?
C20 Si2 C30 110.05(9) . . ?
C27 Si2 C30 111.67(9) . . ?
C20 Si2 Rh1 113.12(7) . . ?
C27 Si2 Rh1 118.03(7) . . ?
C30 Si2 Rh1 96.69(6) . . ?
C2 C1 Si1 117.05(14) . . ?
C2 C1 H1A 108.0 . . ?
Si1 C1 H1A 108.0 . . ?
C2 C1 H1B 108.0 . . ?
Si1 C1 H1B 108.0 . . ?
H1A C1 H1B 107.3 . . ?
C3 C2 C7 117.77(18) . . ?
C3 C2 C1 118.07(18) . . ?
C7 C2 C1 124.06(18) . . ?
C4 C3 C2 122.0(2) . . ?
C4 C3 H3 119.0 . . ?
C2 C3 H3 119.0 . . ?
C3 C4 C5 120.2(2) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 118.7(2) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C5 C6 C7 121.7(2) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 H6 119.1 . . ?
C2 C7 C6 119.41(19) . . ?
C2 C7 P1 125.11(15) . . ?
C6 C7 P1 115.36(15) . . ?
C9 C8 C13 119.1(2) . . ?
C9 C8 P1 123.24(17) . . ?
C13 C8 P1 117.59(16) . . ?
C8 C9 C10 120.3(2) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 120.0(2) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 120.1(2) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 120.1(2) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C8 120.2(2) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
C15 C14 C19 119.97(19) . . ?
C15 C14 P1 122.40(16) . . ?
C19 C14 P1 117.63(15) . . ?
C16 C15 C14 120.5(2) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 119.9(2) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 119.7(2) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C17 C18 C19 121.5(2) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
C18 C19 C14 118.37(19) . . ?
C18 C19 C20 120.23(18) . . ?
C14 C19 C20 121.37(18) . . ?
C19 C20 Si2 113.75(14) . . ?
C19 C20 H20A 108.8 . . ?
Si2 C20 H20A 108.8 . . ?
C19 C20 H20B 108.8 . . ?
Si2 C20 H20B 108.8 . . ?
H20A C20 H20B 107.7 . . ?
C23 C21 C22 111.14(19) . . ?
C23 C21 Si1 115.89(16) . . ?
C22 C21 Si1 111.56(16) . . ?
C23 C21 H21 105.8 . . ?
C22 C21 H21 105.8 . . ?
Si1 C21 H21 105.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C25 109.26(18) . . ?
C26 C24 Si1 115.00(15) . . ?
C25 C24 Si1 113.63(15) . . ?
C26 C24 H24 106.1 . . ?
C25 C24 H24 106.1 . . ?
Si1 C24 H24 106.1 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C29 C27 C28 109.72(19) . . ?
C29 C27 Si2 112.55(15) . . ?
C28 C27 Si2 113.32(15) . . ?
C29 C27 H27 107.0 . . ?
C28 C27 H27 107.0 . . ?
Si2 C27 H27 107.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C30 C31 109.89(18) . . ?
C32 C30 Si2 113.31(14) . . ?
C31 C30 Si2 112.52(15) . . ?
C32 C30 H30 106.9 . . ?
C31 C30 H30 106.9 . . ?
Si2 C30 H30 106.9 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
F2 C33 F3 108.47(19) . . ?
F2 C33 F1 107.82(19) . . ?
F3 C33 F1 107.82(19) . . ?
F2 C33 S1 110.18(17) . . ?
F3 C33 S1 110.81(15) . . ?
F1 C33 S1 111.63(15) . . ?
O3 S1 O2 117.75(10) . . ?
O3 S1 O1 114.57(9) . . ?
O2 S1 O1 111.23(9) . . ?
O3 S1 C33 103.55(10) . . ?
O2 S1 C33 105.19(10) . . ?
O1 S1 C33 102.49(10) . . ?
S1 O1 Rh1 109.16(8) . . ?
C6S C1S C2S 120.4(3) . . ?
C6S C1S H1S 119.8 . . ?
C2S C1S H1S 119.8 . . ?
C1S C2S C3S 120.2(3) . . ?
C1S C2S H2S 119.9 . . ?
C3S C2S H2S 119.9 . . ?
C2S C3S C4S 118.8(3) . . ?
C2S C3S H3S 120.6 . . ?
C4S C3S H3S 120.6 . . ?
C5S C4S C3S 120.4(3) . . ?
C5S C4S H4S 119.8 . . ?
C3S C4S H4S 119.8 . . ?
C4S C5S C6S 120.1(3) . . ?
C4S C5S H5S 119.9 . . ?
C6S C5S H5S 119.9 . . ?
C1S C6S C5S 120.1(3) . . ?
C1S C6S H6S 120.0 . . ?
C5S C6S H6S 120.0 . . ?

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
C21 Si1 C1 C2 52.16(17) . . . . ?
C24 Si1 C1 C2 175.72(15) . . . . ?
Rh1 Si1 C1 C2 -63.56(16) . . . . ?
Si1 C1 C2 C3 -139.23(16) . . . . ?
Si1 C1 C2 C7 44.6(3) . . . . ?
C7 C2 C3 C4 3.0(3) . . . . ?
C1 C2 C3 C4 -173.45(19) . . . . ?
C2 C3 C4 C5 0.9(3) . . . . ?
C3 C4 C5 C6 -2.8(3) . . . . ?
C4 C5 C6 C7 0.9(3) . . . . ?
C3 C2 C7 C6 -4.7(3) . . . . ?
C1 C2 C7 C6 171.43(19) . . . . ?
C3 C2 C7 P1 171.04(15) . . . . ?
C1 C2 C7 P1 -12.8(3) . . . . ?
C5 C6 C7 C2 2.9(3) . . . . ?
C5 C6 C7 P1 -173.28(17) . . . . ?
C14 P1 C7 C2 134.62(18) . . . . ?
C8 P1 C7 C2 -116.91(18) . . . . ?
Rh1 P1 C7 C2 3.4(2) . . . . ?
C14 P1 C7 C6 -49.43(17) . . . . ?
C8 P1 C7 C6 59.04(17) . . . . ?
Rh1 P1 C7 C6 179.37(12) . . . . ?
C14 P1 C8 C9 117.19(19) . . . . ?
C7 P1 C8 C9 10.3(2) . . . . ?
Rh1 P1 C8 C9 -123.10(17) . . . . ?
C14 P1 C8 C13 -64.56(18) . . . . ?
C7 P1 C8 C13 -171.44(16) . . . . ?
Rh1 P1 C8 C13 55.16(17) . . . . ?
C13 C8 C9 C10 1.8(3) . . . . ?
P1 C8 C9 C10 -179.99(18) . . . . ?
C8 C9 C10 C11 1.1(4) . . . . ?
C9 C10 C11 C12 -2.5(4) . . . . ?
C10 C11 C12 C13 1.1(4) . . . . ?
C11 C12 C13 C8 1.8(3) . . . . ?
C9 C8 C13 C12 -3.2(3) . . . . ?
P1 C8 C13 C12 178.46(17) . . . . ?
C7 P1 C14 C15 103.91(18) . . . . ?
C8 P1 C14 C15 -4.4(2) . . . . ?
Rh1 P1 C14 C15 -118.03(16) . . . . ?
C7 P1 C14 C19 -76.60(17) . . . . ?
C8 P1 C14 C19 175.05(16) . . . . ?
Rh1 P1 C14 C19 61.45(17) . . . . ?
C19 C14 C15 C16 -2.0(3) . . . . ?
P1 C14 C15 C16 177.49(17) . . . . ?
C14 C15 C16 C17 0.6(3) . . . . ?
C15 C16 C17 C18 0.4(3) . . . . ?
C16 C17 C18 C19 -0.1(3) . . . . ?
C17 C18 C19 C14 -1.3(3) . . . . ?
C17 C18 C19 C20 -179.28(19) . . . . ?
C15 C14 C19 C18 2.3(3) . . . . ?
P1 C14 C19 C18 -177.22(15) . . . . ?
C15 C14 C19 C20 -179.75(19) . . . . ?
P1 C14 C19 C20 0.8(3) . . . . ?
C18 C19 C20 Si2 118.13(18) . . . . ?
C14 C19 C20 Si2 -59.8(2) . . . . ?
C27 Si2 C20 C19 -175.16(14) . . . . ?
C30 Si2 C20 C19 -53.68(17) . . . . ?
Rh1 Si2 C20 C19 53.22(16) . . . . ?
F2 C33 S1 O3 -67.25(18) . . . . ?
F3 C33 S1 O3 52.80(19) . . . . ?
F1 C33 S1 O3 172.98(16) . . . . ?
F2 C33 S1 O2 56.93(18) . . . . ?
F3 C33 S1 O2 176.97(16) . . . . ?
F1 C33 S1 O2 -62.84(18) . . . . ?
F2 C33 S1 O1 173.31(15) . . . . ?
F3 C33 S1 O1 -66.64(18) . . . . ?
F1 C33 S1 O1 53.54(18) . . . . ?
O3 S1 O1 Rh1 118.73(10) . . . . ?
O2 S1 O1 Rh1 -17.90(12) . . . . ?
C33 S1 O1 Rh1 -129.85(9) . . . . ?
C6S C1S C2S C3S -0.8(4) . . . . ?
C1S C2S C3S C4S 1.5(4) . . . . ?
C2S C3S C4S C5S -1.0(4) . . . . ?
C3S C4S C5S C6S -0.2(5) . . . . ?
C2S C1S C6S C5S -0.4(4) . . . . ?
C4S C5S C6S C1S 0.9(5) . . . . ?

_refine_diff_density_max         1.453
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.113



####################################################################### 
# 
# 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_Rh3
_database_code_depnum_ccdc_archive 'CCDC 2031072'
loop_
_audit_author_name
_audit_author_address
'Bruno M Donnadieu'
;Mississippi State University 
United States of America
;
_audit_update_record             
;
2020-09-08 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H45 Br P Rh Si2'
_chemical_formula_sum            'C32 H45 Br P Rh Si2'
_chemical_formula_weight         699.65

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'
Br Br -0.2901 2.4595 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           76
_space_group_name_H-M_alt        'P 41'
_space_group_name_Hall           'P 4w'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+1/4'
'y, -x, z+3/4'

_cell_length_a                   11.4574(11)
_cell_length_b                   11.4574(11)
_cell_length_c                   24.066(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3159.3(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1105
_cell_measurement_theta_min      1.969
_cell_measurement_theta_max      27.572

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.579
_exptl_crystal_size_mid          0.452
_exptl_crystal_size_min          0.293
_exptl_absorpt_coefficient_mu    1.952
_shelx_estimated_absorpt_T_min   0.398
_shelx_estimated_absorpt_T_max   0.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_T_max  0.599
_exptl_absorpt_process_details   Sadabs
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS D8 Venture  '
_diffrn_measurement_method       'profile data from θ/2θ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40461
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.969
_diffrn_reflns_theta_max         27.572
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 0.942
_reflns_number_total             6936
_reflns_number_gt                6838
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.857
_reflns_Friedel_fraction_max     0.897
_reflns_Friedel_fraction_full    0.883

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'APEX3 v2019.1.0'
_computing_cell_refinement       'APEX3 v2019.1.0'
_computing_data_reduction        'Saint, APEX v2019.1.0.'
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXTL-2018/3
_computing_molecular_graphics    'Mercury V.4.2.0,POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2019.1.0'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0179P)²+0.2739P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0030(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.052(6)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6936
_refine_ls_number_parameters     344
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0172
_refine_ls_R_factor_gt           0.0169
_refine_ls_wR_factor_ref         0.0406
_refine_ls_wR_factor_gt          0.0405
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.04082(2) 0.49968(2) 0.57660(2) 0.01178(5) Uani 1 1 d . . . . .
Br1 Br 0.04961(2) 0.53688(2) 0.67613(2) 0.02238(6) Uani 1 1 d . . . . .
P1 P 0.00520(5) 0.42400(5) 0.49409(2) 0.01206(11) Uani 1 1 d . . . . .
Si1 Si 0.23461(5) 0.50868(6) 0.55403(3) 0.01344(12) Uani 1 1 d . . . . .
Si2 Si -0.02110(5) 0.67510(5) 0.54220(3) 0.01355(12) Uani 1 1 d . . . . .
C1 C 0.2657(2) 0.4598(2) 0.47989(10) 0.0167(5) Uani 1 1 d . . . . .
H1A H 0.227091 0.514355 0.453811 0.020 Uiso 1 1 calc R U . . .
H1B H 0.350816 0.463963 0.473095 0.020 Uiso 1 1 calc R U . . .
C2 C 0.2244(2) 0.3383(2) 0.46806(10) 0.0173(5) Uani 1 1 d . . . . .
C3 C 0.3024(2) 0.2509(3) 0.45240(11) 0.0226(5) Uani 1 1 d . . . . .
H3 H 0.382570 0.269679 0.447898 0.027 Uiso 1 1 calc R U . . .
C4 C 0.2658(3) 0.1377(3) 0.44328(11) 0.0256(6) Uani 1 1 d . . . . .
H4 H 0.320959 0.079237 0.433649 0.031 Uiso 1 1 calc R U . . .
C5 C 0.1493(3) 0.1094(2) 0.44813(12) 0.0254(6) Uani 1 1 d . . . . .
H5 H 0.123867 0.031954 0.440996 0.031 Uiso 1 1 calc R U . . .
C6 C 0.0694(2) 0.1944(2) 0.46346(10) 0.0191(5) Uani 1 1 d . . . . .
H6 H -0.010796 0.174660 0.467098 0.023 Uiso 1 1 calc R U . . .
C7 C 0.1060(2) 0.3090(2) 0.47361(10) 0.0153(4) Uani 1 1 d . . . . .
C8 C -0.0052(2) 0.5046(2) 0.42892(11) 0.0142(4) Uani 1 1 d . . . . .
C9 C -0.0267(2) 0.4373(2) 0.38104(10) 0.0170(5) Uani 1 1 d . . . . .
H9 H -0.036503 0.355259 0.384628 0.020 Uiso 1 1 calc R U . . .
C10 C -0.0340(2) 0.4875(2) 0.32912(12) 0.0207(5) Uani 1 1 d . . . . .
H10 H -0.047800 0.440532 0.297259 0.025 Uiso 1 1 calc R U . . .
C11 C -0.0208(2) 0.6068(2) 0.32392(12) 0.0232(5) Uani 1 1 d . . . . .
H11 H -0.026213 0.642500 0.288390 0.028 Uiso 1 1 calc R U . . .
C12 C 0.0001(2) 0.6740(2) 0.37044(11) 0.0196(5) Uani 1 1 d . . . . .
H12 H 0.008055 0.756044 0.366141 0.023 Uiso 1 1 calc R U . . .
C13 C 0.01002(19) 0.6258(2) 0.42389(10) 0.0150(4) Uani 1 1 d . . . . .
C14 C 0.0421(2) 0.7056(2) 0.47121(10) 0.0169(5) Uani 1 1 d . . . . .
H14A H 0.019123 0.785841 0.460589 0.020 Uiso 1 1 calc R U . . .
H14B H 0.128191 0.704975 0.474727 0.020 Uiso 1 1 calc R U . . .
C15 C -0.1338(2) 0.3496(2) 0.50199(10) 0.0154(4) Uani 1 1 d . . . . .
C16 C -0.2317(2) 0.3714(2) 0.46941(11) 0.0183(5) Uani 1 1 d . . . . .
H16 H -0.227702 0.426665 0.440040 0.022 Uiso 1 1 calc R U . . .
C17 C -0.3357(2) 0.3120(2) 0.47991(12) 0.0238(5) Uani 1 1 d . . . . .
H17 H -0.402573 0.327648 0.457822 0.029 Uiso 1 1 calc R U . . .
C18 C -0.3422(2) 0.2309(2) 0.52204(13) 0.0259(6) Uani 1 1 d . . . . .
H18 H -0.412702 0.189144 0.528093 0.031 Uiso 1 1 calc R U . . .
C19 C -0.2462(3) 0.2099(3) 0.55558(12) 0.0256(6) Uani 1 1 d . . . . .
H19 H -0.251275 0.155188 0.585128 0.031 Uiso 1 1 calc R U . . .
C20 C -0.1429(2) 0.2692(2) 0.54586(11) 0.0206(5) Uani 1 1 d . . . . .
H20 H -0.077370 0.255379 0.569130 0.025 Uiso 1 1 calc R U . . .
C21 C 0.3109(2) 0.6547(2) 0.56465(10) 0.0171(5) Uani 1 1 d . . . . .
H21 H 0.252455 0.717106 0.556353 0.020 Uiso 1 1 calc R U . . .
C22 C 0.4135(2) 0.6719(3) 0.52434(13) 0.0274(6) Uani 1 1 d . . . . .
H22A H 0.452068 0.746337 0.532296 0.041 Uiso 1 1 calc R U . . .
H22B H 0.384288 0.672292 0.486058 0.041 Uiso 1 1 calc R U . . .
H22C H 0.469452 0.607925 0.528941 0.041 Uiso 1 1 calc R U . . .
C23 C 0.3505(2) 0.6721(3) 0.62464(12) 0.0262(6) Uani 1 1 d . . . . .
H23A H 0.413371 0.617024 0.633213 0.039 Uiso 1 1 calc R U . . .
H23B H 0.284553 0.658364 0.649749 0.039 Uiso 1 1 calc R U . . .
H23C H 0.378885 0.752147 0.629464 0.039 Uiso 1 1 calc R U . . .
C24 C 0.2969(2) 0.3958(2) 0.60338(11) 0.0223(5) Uani 1 1 d . . . . .
H24 H 0.301084 0.433603 0.640777 0.027 Uiso 1 1 calc R U . . .
C25 C 0.4222(3) 0.3627(3) 0.58747(13) 0.0351(7) Uani 1 1 d . . . . .
H25A H 0.452510 0.305499 0.614101 0.053 Uiso 1 1 calc R U . . .
H25B H 0.471498 0.432602 0.588052 0.053 Uiso 1 1 calc R U . . .
H25C H 0.422809 0.328793 0.550078 0.053 Uiso 1 1 calc R U . . .
C26 C 0.2225(3) 0.2861(2) 0.61019(13) 0.0304(7) Uani 1 1 d . . . . .
H26A H 0.218717 0.244314 0.574717 0.046 Uiso 1 1 calc R U . . .
H26B H 0.143493 0.308249 0.621757 0.046 Uiso 1 1 calc R U . . .
H26C H 0.257449 0.235506 0.638467 0.046 Uiso 1 1 calc R U . . .
C27 C 0.0215(2) 0.8026(2) 0.58942(11) 0.0192(5) Uani 1 1 d . . . . .
H27 H 0.100005 0.783225 0.605076 0.023 Uiso 1 1 calc R U . . .
C28 C -0.0594(2) 0.8214(3) 0.63899(12) 0.0273(6) Uani 1 1 d . . . . .
H28A H -0.025411 0.879785 0.663942 0.041 Uiso 1 1 calc R U . . .
H28B H -0.069339 0.747598 0.659029 0.041 Uiso 1 1 calc R U . . .
H28C H -0.135580 0.848854 0.625810 0.041 Uiso 1 1 calc R U . . .
C29 C 0.0360(3) 0.9173(2) 0.55713(13) 0.0288(6) Uani 1 1 d . . . . .
H29A H -0.035976 0.934367 0.536685 0.043 Uiso 1 1 calc R U . . .
H29B H 0.100992 0.909852 0.530886 0.043 Uiso 1 1 calc R U . . .
H29C H 0.052279 0.980992 0.583201 0.043 Uiso 1 1 calc R U . . .
C30 C -0.1847(2) 0.6622(2) 0.53186(11) 0.0186(5) Uani 1 1 d . . . . .
H30 H -0.195815 0.607957 0.499731 0.022 Uiso 1 1 calc R U . . .
C31 C -0.2496(2) 0.6063(3) 0.58109(13) 0.0277(6) Uani 1 1 d . . . . .
H31A H -0.244267 0.657742 0.613524 0.042 Uiso 1 1 calc R U . . .
H31B H -0.214030 0.530738 0.589885 0.042 Uiso 1 1 calc R U . . .
H31C H -0.331764 0.594848 0.571215 0.042 Uiso 1 1 calc R U . . .
C32 C -0.2407(2) 0.7780(3) 0.51461(14) 0.0276(6) Uani 1 1 d . . . . .
H32A H -0.323414 0.765463 0.506251 0.041 Uiso 1 1 calc R U . . .
H32B H -0.201036 0.808309 0.481525 0.041 Uiso 1 1 calc R U . . .
H32C H -0.233298 0.834444 0.545016 0.041 Uiso 1 1 calc R 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 2.2050(7) . ?
Rh1 Si2 2.2865(7) . ?
Rh1 Si1 2.2882(7) . ?
Rh1 Br1 2.4349(5) . ?
P1 C15 1.817(2) . ?
P1 C7 1.820(2) . ?
P1 C8 1.824(3) . ?
Si1 C24 1.895(3) . ?
Si1 C1 1.904(2) . ?
Si1 C21 1.904(2) . ?
Si2 C14 1.888(3) . ?
Si2 C30 1.897(2) . ?
Si2 C27 1.914(3) . ?
C1 C2 1.497(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.394(4) . ?
C2 C7 1.404(3) . ?
C3 C4 1.381(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.400(3) . ?
C6 H6 0.9500 . ?
C8 C13 1.405(3) . ?
C8 C9 1.409(4) . ?
C9 C10 1.378(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.380(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.404(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.506(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.391(3) . ?
C15 C20 1.405(4) . ?
C16 C17 1.395(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.377(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C23 1.526(4) . ?
C21 C22 1.537(3) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.527(4) . ?
C24 C25 1.534(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.526(4) . ?
C27 C29 1.536(4) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C32 1.531(4) . ?
C30 C31 1.538(4) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Si2 87.83(2) . . ?
P1 Rh1 Si1 89.05(2) . . ?
Si2 Rh1 Si1 100.11(2) . . ?
P1 Rh1 Br1 164.243(19) . . ?
Si2 Rh1 Br1 102.429(19) . . ?
Si1 Rh1 Br1 100.692(19) . . ?
C15 P1 C7 104.16(11) . . ?
C15 P1 C8 105.69(11) . . ?
C7 P1 C8 100.11(11) . . ?
C15 P1 Rh1 104.63(8) . . ?
C7 P1 Rh1 114.28(8) . . ?
C8 P1 Rh1 125.96(9) . . ?
C24 Si1 C1 108.43(11) . . ?
C24 Si1 C21 110.03(12) . . ?
C1 Si1 C21 107.36(11) . . ?
C24 Si1 Rh1 100.70(9) . . ?
C1 Si1 Rh1 113.00(8) . . ?
C21 Si1 Rh1 116.94(8) . . ?
C14 Si2 C30 105.95(11) . . ?
C14 Si2 C27 107.35(11) . . ?
C30 Si2 C27 112.92(11) . . ?
C14 Si2 Rh1 111.80(8) . . ?
C30 Si2 Rh1 106.59(8) . . ?
C27 Si2 Rh1 112.13(8) . . ?
C2 C1 Si1 113.11(17) . . ?
C2 C1 H1A 109.0 . . ?
Si1 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
Si1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C3 C2 C7 118.2(2) . . ?
C3 C2 C1 121.1(2) . . ?
C7 C2 C1 120.7(2) . . ?
C4 C3 C2 121.5(3) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C5 C4 C3 120.1(2) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C7 120.5(2) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C6 C7 C2 119.8(2) . . ?
C6 C7 P1 122.44(19) . . ?
C2 C7 P1 117.72(18) . . ?
C13 C8 C9 119.5(2) . . ?
C13 C8 P1 124.52(19) . . ?
C9 C8 P1 115.91(19) . . ?
C10 C9 C8 121.5(2) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 119.3(3) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C12 C11 C10 119.9(3) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 122.5(2) . . ?
C11 C12 H12 118.7 . . ?
C13 C12 H12 118.7 . . ?
C12 C13 C8 117.2(2) . . ?
C12 C13 C14 118.3(2) . . ?
C8 C13 C14 124.4(2) . . ?
C13 C14 Si2 118.58(17) . . ?
C13 C14 H14A 107.7 . . ?
Si2 C14 H14A 107.7 . . ?
C13 C14 H14B 107.7 . . ?
Si2 C14 H14B 107.7 . . ?
H14A C14 H14B 107.1 . . ?
C16 C15 C20 118.8(2) . . ?
C16 C15 P1 124.28(19) . . ?
C20 C15 P1 116.82(18) . . ?
C15 C16 C17 119.9(2) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 120.2(2) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 119.7(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C15 120.8(2) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C23 C21 C22 110.7(2) . . ?
C23 C21 Si1 112.23(18) . . ?
C22 C21 Si1 112.26(17) . . ?
C23 C21 H21 107.1 . . ?
C22 C21 H21 107.1 . . ?
Si1 C21 H21 107.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C25 110.2(2) . . ?
C26 C24 Si1 114.74(19) . . ?
C25 C24 Si1 111.4(2) . . ?
C26 C24 H24 106.7 . . ?
C25 C24 H24 106.7 . . ?
Si1 C24 H24 106.7 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 109.9(2) . . ?
C28 C27 Si2 114.62(18) . . ?
C29 C27 Si2 112.35(19) . . ?
C28 C27 H27 106.5 . . ?
C29 C27 H27 106.5 . . ?
Si2 C27 H27 106.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C30 C31 111.6(2) . . ?
C32 C30 Si2 112.43(18) . . ?
C31 C30 Si2 114.14(18) . . ?
C32 C30 H30 106.0 . . ?
C31 C30 H30 106.0 . . ?
Si2 C30 H30 106.0 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C1 C2 C3 -119.0(2) . . . . ?
Si1 C1 C2 C7 59.6(3) . . . . ?
C7 C2 C3 C4 -1.0(4) . . . . ?
C1 C2 C3 C4 177.7(2) . . . . ?
C2 C3 C4 C5 1.8(4) . . . . ?
C3 C4 C5 C6 -1.5(4) . . . . ?
C4 C5 C6 C7 0.5(4) . . . . ?
C5 C6 C7 C2 0.2(4) . . . . ?
C5 C6 C7 P1 -179.8(2) . . . . ?
C3 C2 C7 C6 0.0(4) . . . . ?
C1 C2 C7 C6 -178.7(2) . . . . ?
C3 C2 C7 P1 179.99(19) . . . . ?
C1 C2 C7 P1 1.3(3) . . . . ?
C15 P1 C7 C6 4.4(2) . . . . ?
C8 P1 C7 C6 -104.7(2) . . . . ?
Rh1 P1 C7 C6 118.0(2) . . . . ?
C15 P1 C7 C2 -175.57(19) . . . . ?
C8 P1 C7 C2 75.3(2) . . . . ?
Rh1 P1 C7 C2 -62.0(2) . . . . ?
C15 P1 C8 C13 122.7(2) . . . . ?
C7 P1 C8 C13 -129.3(2) . . . . ?
Rh1 P1 C8 C13 0.9(2) . . . . ?
C15 P1 C8 C9 -59.2(2) . . . . ?
C7 P1 C8 C9 48.7(2) . . . . ?
Rh1 P1 C8 C9 178.93(14) . . . . ?
C13 C8 C9 C10 -0.4(4) . . . . ?
P1 C8 C9 C10 -178.56(19) . . . . ?
C8 C9 C10 C11 -0.6(4) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C10 C11 C12 C13 0.7(4) . . . . ?
C11 C12 C13 C8 -1.6(4) . . . . ?
C11 C12 C13 C14 175.4(2) . . . . ?
C9 C8 C13 C12 1.4(3) . . . . ?
P1 C8 C13 C12 179.43(18) . . . . ?
C9 C8 C13 C14 -175.3(2) . . . . ?
P1 C8 C13 C14 2.7(3) . . . . ?
C12 C13 C14 Si2 146.34(19) . . . . ?
C8 C13 C14 Si2 -37.0(3) . . . . ?
C30 Si2 C14 C13 -52.0(2) . . . . ?
C27 Si2 C14 C13 -172.96(18) . . . . ?
Rh1 Si2 C14 C13 63.68(19) . . . . ?
C7 P1 C15 C16 -116.0(2) . . . . ?
C8 P1 C15 C16 -11.0(2) . . . . ?
Rh1 P1 C15 C16 123.7(2) . . . . ?
C7 P1 C15 C20 67.3(2) . . . . ?
C8 P1 C15 C20 172.26(19) . . . . ?
Rh1 P1 C15 C20 -53.0(2) . . . . ?
C20 C15 C16 C17 -1.3(4) . . . . ?
P1 C15 C16 C17 -178.0(2) . . . . ?
C15 C16 C17 C18 -0.6(4) . . . . ?
C16 C17 C18 C19 2.0(4) . . . . ?
C17 C18 C19 C20 -1.3(4) . . . . ?
C18 C19 C20 C15 -0.6(4) . . . . ?
C16 C15 C20 C19 2.0(4) . . . . ?
P1 C15 C20 C19 178.9(2) . . . . ?
C1 Si1 C24 C26 -78.7(2) . . . . ?
C21 Si1 C24 C26 164.19(19) . . . . ?
Rh1 Si1 C24 C26 40.2(2) . . . . ?
C1 Si1 C24 C25 47.5(2) . . . . ?
C21 Si1 C24 C25 -69.7(2) . . . . ?
Rh1 Si1 C24 C25 166.30(19) . . . . ?
C14 Si2 C30 C32 -66.8(2) . . . . ?
C27 Si2 C30 C32 50.4(2) . . . . ?
Rh1 Si2 C30 C32 173.98(17) . . . . ?
C14 Si2 C30 C31 164.84(18) . . . . ?
C27 Si2 C30 C31 -77.9(2) . . . . ?
Rh1 Si2 C30 C31 45.62(19) . . . . ?

_refine_diff_density_max         0.542
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.052



####################################################################### 
# 
# 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_Rh5
_database_code_depnum_ccdc_archive 'CCDC 2031074'
loop_
_audit_author_name
_audit_author_address
'Bruno M Donnadieu'
;Mississippi State University 
United States of America
;
_audit_update_record             
;
2020-09-08 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H45 Cl7 Ga P Rh Si2'
_chemical_formula_sum            'C33 H45 Cl7 Ga P Rh Si2'
_chemical_formula_weight         949.62

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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'
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 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.884(3)
_cell_length_b                   18.130(5)
_cell_length_c                   20.983(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.172(8)
_cell_angle_gamma                90
_cell_volume                     4061.9(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1460
_cell_measurement_theta_min      2.214
_cell_measurement_theta_max      30.508

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             1924
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.231
_exptl_crystal_size_min          0.221
_exptl_absorpt_coefficient_mu    1.652
_shelx_estimated_absorpt_T_min   0.588
_shelx_estimated_absorpt_T_max   0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_T_max  0.712
_exptl_absorpt_process_details   Sadabs
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS D8 Venture '
_diffrn_measurement_method       'profile data from θ/2θ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            102263
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.214
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12384
_reflns_number_gt                11629
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 v2019.1.0'
_computing_cell_refinement       'APEX3 v2019.1.0'
_computing_data_reduction        'Saint, APEX v2019.1.0.'
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXTL-2018/3
_computing_molecular_graphics    'POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2018.7.2'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0295P)²+7.0876P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00243(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         12384
_refine_ls_number_parameters     488
_refine_ls_number_restraints     282
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0742
_refine_ls_wR_factor_gt          0.0728
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.54168(2) 0.74109(2) 0.61410(2) 0.00886(4) Uani 1 1 d . . . . .
P1 P 0.46678(4) 0.78524(2) 0.51664(2) 0.00944(8) Uani 1 1 d . . . . .
Si1 Si 0.33964(4) 0.74777(2) 0.63349(2) 0.01019(8) Uani 1 1 d . . . . .
Si2 Si 0.61045(4) 0.85799(3) 0.64767(2) 0.01068(8) Uani 1 1 d . . . . .
Ga1 Ga 0.80241(2) 0.59927(2) 0.70563(2) 0.01423(5) Uani 1 1 d . . . . .
Cl1 Cl 0.62954(4) 0.66797(3) 0.70871(2) 0.02225(9) Uani 1 1 d . . . . .
Cl2 Cl 0.80227(5) 0.57696(3) 0.60485(2) 0.02338(9) Uani 1 1 d . . . . .
Cl3 Cl 0.95957(5) 0.66486(3) 0.75102(3) 0.03079(12) Uani 1 1 d . . . . .
Cl4 Cl 0.78132(5) 0.50215(3) 0.76192(3) 0.02614(10) Uani 1 1 d . . . . .
C1 C 0.25810(16) 0.83725(9) 0.60364(8) 0.0135(3) Uani 1 1 d . . . . .
H1 H 0.236244 0.872955 0.632661 0.016 Uiso 1 1 calc R U . . .
C2 C 0.23010(15) 0.84825(9) 0.53113(8) 0.0124(3) Uani 1 1 d . . . . .
C3 C 0.11320(16) 0.87773(10) 0.50146(10) 0.0177(3) Uani 1 1 d . . . . .
H3 H 0.052420 0.887324 0.527360 0.021 Uiso 1 1 calc R U . . .
C4 C 0.08424(18) 0.89318(11) 0.43521(10) 0.0212(4) Uani 1 1 d . . . . .
H4 H 0.004087 0.912251 0.416442 0.025 Uiso 1 1 calc R U . . .
C5 C 0.17229(18) 0.88077(11) 0.39655(9) 0.0193(3) Uani 1 1 d . . . . .
H5 H 0.153941 0.892663 0.351608 0.023 Uiso 1 1 calc R U . . .
C6 C 0.28770(17) 0.85070(10) 0.42452(9) 0.0152(3) Uani 1 1 d . . . . .
H6 H 0.348212 0.842234 0.398230 0.018 Uiso 1 1 calc R U . . .
C7 C 0.31675(15) 0.83255(9) 0.49096(8) 0.0113(3) Uani 1 1 d . . . . .
C8 C 0.57461(15) 0.84499(9) 0.48468(8) 0.0122(3) Uani 1 1 d . . . . .
C9 C 0.61759(17) 0.82788(10) 0.42759(9) 0.0165(3) Uani 1 1 d . . . . .
H9 H 0.591928 0.783299 0.405113 0.020 Uiso 1 1 calc R U . . .
C10 C 0.69761(19) 0.87587(11) 0.40371(10) 0.0210(4) Uani 1 1 d . . . . .
H10 H 0.726129 0.864423 0.364847 0.025 Uiso 1 1 calc R U . . .
C11 C 0.73557(18) 0.94079(11) 0.43723(10) 0.0199(4) Uani 1 1 d . . . . .
H11 H 0.790050 0.973823 0.421105 0.024 Uiso 1 1 calc R U . . .
C12 C 0.69406(16) 0.95754(10) 0.49426(9) 0.0161(3) Uani 1 1 d . . . . .
H12 H 0.721681 1.001724 0.516904 0.019 Uiso 1 1 calc R U . . .
C13 C 0.61249(15) 0.91061(9) 0.51893(8) 0.0121(3) Uani 1 1 d . . . . .
C14 C 0.56764(16) 0.92941(9) 0.58047(8) 0.0131(3) Uani 1 1 d . . . . .
H14A H 0.475417 0.934944 0.570271 0.016 Uiso 1 1 calc R U . . .
H14B H 0.603728 0.977557 0.596676 0.016 Uiso 1 1 calc R U . . .
C15 C 0.45564(16) 0.70071(9) 0.46890(8) 0.0114(3) Uani 1 1 d . . . . .
C16 C 0.34612(17) 0.67514(10) 0.42866(9) 0.0151(3) Uani 1 1 d . . . . .
H16 H 0.273584 0.705447 0.420209 0.018 Uiso 1 1 calc R U . . .
C17 C 0.34366(18) 0.60523(10) 0.40103(9) 0.0187(3) Uani 1 1 d . . . . .
H17 H 0.269388 0.588067 0.373531 0.022 Uiso 1 1 calc R U . . .
C18 C 0.44925(19) 0.56033(10) 0.41343(9) 0.0191(3) Uani 1 1 d . . . . .
H18 H 0.446507 0.512415 0.394875 0.023 Uiso 1 1 calc R U . . .
C19 C 0.55900(18) 0.58550(10) 0.45301(9) 0.0185(3) Uani 1 1 d . . . . .
H19 H 0.631321 0.554995 0.461203 0.022 Uiso 1 1 calc R U . . .
C20 C 0.56230(16) 0.65540(10) 0.48047(9) 0.0148(3) Uani 1 1 d . . . . .
H20 H 0.637289 0.672662 0.507279 0.018 Uiso 1 1 calc R U . . .
C21 C 0.24850(16) 0.67228(9) 0.58163(9) 0.0135(3) Uani 1 1 d . . . . .
H21 H 0.240110 0.689575 0.535736 0.016 Uiso 1 1 calc R U . . .
C22 C 0.11322(18) 0.66562(12) 0.59330(11) 0.0228(4) Uani 1 1 d . . . . .
H22A H 0.068046 0.628215 0.564091 0.034 Uiso 1 1 calc R U . . .
H22B H 0.070673 0.713256 0.584750 0.034 Uiso 1 1 calc R U . . .
H22C H 0.115029 0.651144 0.638476 0.034 Uiso 1 1 calc R U . . .
C23 C 0.31223(19) 0.59668(10) 0.58381(10) 0.0203(4) Uani 1 1 d . . . . .
H23A H 0.316873 0.574692 0.626876 0.030 Uiso 1 1 calc R U . . .
H23B H 0.396983 0.602594 0.575144 0.030 Uiso 1 1 calc R U . . .
H23C H 0.263575 0.564411 0.550790 0.030 Uiso 1 1 calc R U . . .
C24 C 0.34078(17) 0.73834(10) 0.72404(9) 0.0150(3) Uani 1 1 d . . . . .
H24 H 0.422175 0.759061 0.747555 0.018 Uiso 1 1 calc R U . . .
C25 C 0.23563(19) 0.78328(11) 0.74583(9) 0.0206(4) Uani 1 1 d . . . . .
H25A H 0.154248 0.767635 0.720814 0.031 Uiso 1 1 calc R U . . .
H25B H 0.247962 0.835881 0.738329 0.031 Uiso 1 1 calc R U . . .
H25C H 0.237953 0.774846 0.792186 0.031 Uiso 1 1 calc R U . . .
C26 C 0.3352(2) 0.65767(11) 0.74591(10) 0.0215(4) Uani 1 1 d . . . . .
H26A H 0.353318 0.655333 0.793476 0.032 Uiso 1 1 calc R U . . .
H26B H 0.397458 0.628549 0.728796 0.032 Uiso 1 1 calc R U . . .
H26C H 0.251446 0.637710 0.729407 0.032 Uiso 1 1 calc R U . . .
C27 C 0.55681(17) 0.89257(10) 0.72342(9) 0.0158(3) Uani 1 1 d . . . . .
H27 H 0.467499 0.877179 0.719842 0.019 Uiso 1 1 calc R U . . .
C28 C 0.5609(2) 0.97705(11) 0.72939(11) 0.0251(4) Uani 1 1 d . . . . .
H28A H 0.530385 0.991933 0.768455 0.038 Uiso 1 1 calc R U . . .
H28B H 0.507618 0.998929 0.691025 0.038 Uiso 1 1 calc R U . . .
H28C H 0.647241 0.994180 0.732480 0.038 Uiso 1 1 calc R U . . .
C29 C 0.6320(2) 0.85727(13) 0.78577(9) 0.0241(4) Uani 1 1 d . . . . .
H29A H 0.716798 0.877936 0.794974 0.036 Uiso 1 1 calc R U . . .
H29B H 0.636646 0.803811 0.779753 0.036 Uiso 1 1 calc R U . . .
H29C H 0.590359 0.867626 0.822238 0.036 Uiso 1 1 calc R U . . .
C30 C 0.78724(16) 0.84216(10) 0.66402(9) 0.0148(3) Uani 1 1 d . . . . .
H30 H 0.808808 0.814093 0.705718 0.018 Uiso 1 1 calc R U . . .
C31 C 0.83265(18) 0.79566(11) 0.61179(10) 0.0202(3) Uani 1 1 d . . . . .
H31A H 0.817864 0.822741 0.570593 0.030 Uiso 1 1 calc R U . . .
H31B H 0.786603 0.748912 0.606112 0.030 Uiso 1 1 calc R U . . .
H31C H 0.922403 0.785689 0.625396 0.030 Uiso 1 1 calc R U . . .
C32 C 0.86101(19) 0.91520(12) 0.67393(11) 0.0242(4) Uani 1 1 d . . . . .
H32A H 0.950937 0.904598 0.684782 0.036 Uiso 1 1 calc R U . . .
H32B H 0.836315 0.943089 0.709438 0.036 Uiso 1 1 calc R U . . .
H32C H 0.842670 0.944358 0.633883 0.036 Uiso 1 1 calc R U . . .
C1S C 0.9813(6) 0.6443(4) 0.4187(3) 0.0299(15) Uani 0.333 1 d D U P A 1
H1S H 1.060632 0.649206 0.451670 0.036 Uiso 0.333 1 calc R U P A 1
Cl1S Cl 0.8839(6) 0.6955(4) 0.4355(3) 0.111(2) Uani 0.333 1 d D U P A 1
Cl2S Cl 1.0125(6) 0.6611(4) 0.3383(3) 0.0465(10) Uani 0.333 1 d D U P A 1
Cl3S Cl 0.9418(5) 0.5540(2) 0.4085(3) 0.0927(16) Uani 0.333 1 d D U P A 1
C1T C 0.9497(13) 0.6496(4) 0.4225(6) 0.116(5) Uani 0.333 1 d D U P B 2
H1T H 1.030101 0.656833 0.454287 0.139 Uiso 0.333 1 calc R U P B 2
Cl1T Cl 0.8729(4) 0.71521(13) 0.4341(2) 0.0435(7) Uani 0.333 1 d D U P B 2
Cl2T Cl 0.9970(8) 0.6536(5) 0.3445(4) 0.0686(18) Uani 0.333 1 d D U P B 2
Cl3T Cl 0.9172(3) 0.55917(13) 0.43073(15) 0.0352(6) Uani 0.333 1 d D U P B 2
C1U C 0.9969(9) 0.6440(5) 0.4140(4) 0.121(5) Uani 0.333 1 d D U P C 3
H1U H 1.081596 0.647350 0.442586 0.145 Uiso 0.333 1 calc R U P C 3
Cl1U Cl 0.9435(7) 0.7184(3) 0.3917(4) 0.156(2) Uani 0.333 1 d D U P C 3
Cl2U Cl 0.9978(4) 0.5920(3) 0.3405(3) 0.1194(18) Uani 0.333 1 d D U P C 3
Cl3U Cl 0.8984(5) 0.5870(4) 0.4444(3) 0.116(2) Uani 0.333 1 d D U P C 3


_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 2.2002(6) . ?
Rh1 Si2 2.3116(7) . ?
Rh1 Si1 2.3156(7) . ?
Rh1 Cl1 2.4243(6) . ?
P1 C8 1.8181(17) . ?
P1 C15 1.8220(17) . ?
P1 C7 1.8306(17) . ?
Si1 C1 1.8964(18) . ?
Si1 C21 1.9033(18) . ?
Si1 C24 1.9054(19) . ?
Si2 C27 1.9026(18) . ?
Si2 C14 1.9047(18) . ?
Si2 C30 1.9096(18) . ?
Ga1 Cl3 2.1483(7) . ?
Ga1 Cl2 2.1528(7) . ?
Ga1 Cl4 2.1572(7) . ?
Ga1 Cl1 2.2677(7) . ?
C1 C2 1.506(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.409(2) . ?
C2 C7 1.410(2) . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.407(2) . ?
C6 H6 0.9500 . ?
C8 C9 1.403(2) . ?
C8 C13 1.410(2) . ?
C9 C10 1.391(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.399(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.505(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.400(2) . ?
C15 C20 1.404(2) . ?
C16 C17 1.392(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.393(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.390(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C23 1.533(2) . ?
C21 C22 1.543(3) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.538(3) . ?
C24 C25 1.544(3) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.537(3) . ?
C27 C29 1.541(3) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.538(3) . ?
C30 C32 1.542(3) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C1S Cl1S 1.502(8) . ?
C1S Cl3S 1.696(7) . ?
C1S Cl2S 1.810(7) . ?
C1S H1S 1.0000 . ?
C1T Cl1T 1.500(8) . ?
C1T Cl3T 1.694(7) . ?
C1T Cl2T 1.810(7) . ?
C1T H1T 1.0000 . ?
C1U Cl1U 1.507(8) . ?
C1U Cl3U 1.700(8) . ?
C1U Cl2U 1.809(7) . ?
C1U H1U 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 Si2 89.40(2) . . ?
P1 Rh1 Si1 87.18(2) . . ?
Si2 Rh1 Si1 99.265(18) . . ?
P1 Rh1 Cl1 167.509(17) . . ?
Si2 Rh1 Cl1 101.46(2) . . ?
Si1 Rh1 Cl1 97.01(2) . . ?
C8 P1 C15 106.10(8) . . ?
C8 P1 C7 102.42(8) . . ?
C15 P1 C7 105.76(8) . . ?
C8 P1 Rh1 114.21(6) . . ?
C15 P1 Rh1 100.26(6) . . ?
C7 P1 Rh1 126.35(6) . . ?
C1 Si1 C21 105.52(8) . . ?
C1 Si1 C24 108.56(8) . . ?
C21 Si1 C24 114.05(8) . . ?
C1 Si1 Rh1 112.72(6) . . ?
C21 Si1 Rh1 105.63(6) . . ?
C24 Si1 Rh1 110.34(6) . . ?
C27 Si2 C14 108.89(8) . . ?
C27 Si2 C30 111.17(8) . . ?
C14 Si2 C30 109.18(8) . . ?
C27 Si2 Rh1 115.02(6) . . ?
C14 Si2 Rh1 112.30(6) . . ?
C30 Si2 Rh1 99.93(6) . . ?
Cl3 Ga1 Cl2 112.86(3) . . ?
Cl3 Ga1 Cl4 111.66(3) . . ?
Cl2 Ga1 Cl4 113.86(3) . . ?
Cl3 Ga1 Cl1 106.09(3) . . ?
Cl2 Ga1 Cl1 106.77(2) . . ?
Cl4 Ga1 Cl1 104.82(2) . . ?
Ga1 Cl1 Rh1 118.35(2) . . ?
C2 C1 Si1 115.92(12) . . ?
C2 C1 H1 122.0 . . ?
Si1 C1 H1 122.0 . . ?
C3 C2 C7 117.63(16) . . ?
C3 C2 C1 119.03(16) . . ?
C7 C2 C1 123.32(15) . . ?
C4 C3 C2 121.84(17) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C5 C4 C3 120.14(17) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.08(17) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C7 121.40(17) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C6 C7 C2 119.79(15) . . ?
C6 C7 P1 114.68(13) . . ?
C2 C7 P1 125.47(13) . . ?
C9 C8 C13 120.60(16) . . ?
C9 C8 P1 121.95(13) . . ?
C13 C8 P1 117.44(13) . . ?
C10 C9 C8 120.32(17) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 119.47(18) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.31(17) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 121.34(17) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C12 C13 C8 117.94(16) . . ?
C12 C13 C14 120.93(15) . . ?
C8 C13 C14 121.12(15) . . ?
C13 C14 Si2 114.06(11) . . ?
C13 C14 H14A 108.7 . . ?
Si2 C14 H14A 108.7 . . ?
C13 C14 H14B 108.7 . . ?
Si2 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C16 C15 C20 119.30(15) . . ?
C16 C15 P1 124.65(13) . . ?
C20 C15 P1 115.61(12) . . ?
C17 C16 C15 119.90(16) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 C16 120.43(17) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 120.11(17) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 119.75(17) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C15 120.51(16) . . ?
C19 C20 H20 119.7 . . ?
C15 C20 H20 119.7 . . ?
C23 C21 C22 111.43(15) . . ?
C23 C21 Si1 116.31(13) . . ?
C22 C21 Si1 111.91(12) . . ?
C23 C21 H21 105.4 . . ?
C22 C21 H21 105.4 . . ?
Si1 C21 H21 105.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C25 109.84(15) . . ?
C26 C24 Si1 112.95(12) . . ?
C25 C24 Si1 112.70(13) . . ?
C26 C24 H24 107.0 . . ?
C25 C24 H24 107.0 . . ?
Si1 C24 H24 107.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 110.03(16) . . ?
C28 C27 Si2 112.81(14) . . ?
C29 C27 Si2 111.96(13) . . ?
C28 C27 H27 107.2 . . ?
C29 C27 H27 107.2 . . ?
Si2 C27 H27 107.2 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C32 109.64(16) . . ?
C31 C30 Si2 113.96(12) . . ?
C32 C30 Si2 112.05(13) . . ?
C31 C30 H30 106.9 . . ?
C32 C30 H30 106.9 . . ?
Si2 C30 H30 106.9 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Cl1S C1S Cl3S 116.9(5) . . ?
Cl1S C1S Cl2S 112.6(4) . . ?
Cl3S C1S Cl2S 97.7(4) . . ?
Cl1S C1S H1S 109.7 . . ?
Cl3S C1S H1S 109.7 . . ?
Cl2S C1S H1S 109.7 . . ?
Cl1T C1T Cl3T 128.1(7) . . ?
Cl1T C1T Cl2T 112.3(6) . . ?
Cl3T C1T Cl2T 103.4(5) . . ?
Cl1T C1T H1T 103.4 . . ?
Cl3T C1T H1T 103.4 . . ?
Cl2T C1T H1T 103.4 . . ?
Cl1U C1U Cl3U 115.3(7) . . ?
Cl1U C1U Cl2U 105.5(5) . . ?
Cl3U C1U Cl2U 96.4(5) . . ?
Cl1U C1U H1U 112.8 . . ?
Cl3U C1U H1U 112.8 . . ?
Cl2U C1U H1U 112.8 . . ?

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
C21 Si1 C1 C2 -47.96(14) . . . . ?
C24 Si1 C1 C2 -170.61(12) . . . . ?
Rh1 Si1 C1 C2 66.84(13) . . . . ?
Si1 C1 C2 C3 137.85(14) . . . . ?
Si1 C1 C2 C7 -44.1(2) . . . . ?
C7 C2 C3 C4 -1.9(3) . . . . ?
C1 C2 C3 C4 176.27(17) . . . . ?
C2 C3 C4 C5 -1.1(3) . . . . ?
C3 C4 C5 C6 2.0(3) . . . . ?
C4 C5 C6 C7 0.1(3) . . . . ?
C5 C6 C7 C2 -3.1(3) . . . . ?
C5 C6 C7 P1 174.18(14) . . . . ?
C3 C2 C7 C6 3.9(2) . . . . ?
C1 C2 C7 C6 -174.15(16) . . . . ?
C3 C2 C7 P1 -173.08(13) . . . . ?
C1 C2 C7 P1 8.8(2) . . . . ?
C8 P1 C7 C6 51.10(14) . . . . ?
C15 P1 C7 C6 -59.83(14) . . . . ?
Rh1 P1 C7 C6 -175.78(10) . . . . ?
C8 P1 C7 C2 -131.74(15) . . . . ?
C15 P1 C7 C2 117.33(15) . . . . ?
Rh1 P1 C7 C2 1.37(18) . . . . ?
C15 P1 C8 C9 9.23(17) . . . . ?
C7 P1 C8 C9 -101.45(15) . . . . ?
Rh1 P1 C8 C9 118.69(14) . . . . ?
C15 P1 C8 C13 -171.88(13) . . . . ?
C7 P1 C8 C13 77.45(14) . . . . ?
Rh1 P1 C8 C13 -62.41(14) . . . . ?
C13 C8 C9 C10 -0.5(3) . . . . ?
P1 C8 C9 C10 178.37(15) . . . . ?
C8 C9 C10 C11 0.5(3) . . . . ?
C9 C10 C11 C12 0.1(3) . . . . ?
C10 C11 C12 C13 -0.8(3) . . . . ?
C11 C12 C13 C8 0.9(3) . . . . ?
C11 C12 C13 C14 -179.69(16) . . . . ?
C9 C8 C13 C12 -0.2(2) . . . . ?
P1 C8 C13 C12 -179.10(13) . . . . ?
C9 C8 C13 C14 -179.64(16) . . . . ?
P1 C8 C13 C14 1.4(2) . . . . ?
C12 C13 C14 Si2 -120.36(15) . . . . ?
C8 C13 C14 Si2 59.07(19) . . . . ?
C8 P1 C15 C16 -116.47(15) . . . . ?
C7 P1 C15 C16 -8.17(17) . . . . ?
Rh1 P1 C15 C16 124.44(14) . . . . ?
C8 P1 C15 C20 71.24(14) . . . . ?
C7 P1 C15 C20 179.54(13) . . . . ?
Rh1 P1 C15 C20 -47.85(13) . . . . ?
C20 C15 C16 C17 0.5(3) . . . . ?
P1 C15 C16 C17 -171.54(14) . . . . ?
C15 C16 C17 C18 0.4(3) . . . . ?
C16 C17 C18 C19 -0.9(3) . . . . ?
C17 C18 C19 C20 0.5(3) . . . . ?
C18 C19 C20 C15 0.3(3) . . . . ?
C16 C15 C20 C19 -0.8(3) . . . . ?
P1 C15 C20 C19 171.90(14) . . . . ?

_refine_diff_density_max         1.520
_refine_diff_density_min         -1.791
_refine_diff_density_rms         0.098



