# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_Rh-3
_database_code_depnum_ccdc_archive 'CCDC 2133159'
loop_
_audit_author_name
_audit_author_address
'Bruno Donnadieu'
;Mississippi State University
United States of America
;
_audit_update_record             
;
2022-01-07 deposited with the CCDC.	2023-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H90 Cl2 P2 Rh2 Si4'
_chemical_formula_sum            'C64 H90 Cl2 P2 Rh2 Si4'
_chemical_formula_weight         1310.37

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'
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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.691(7)
_cell_length_b                   15.587(7)
_cell_length_c                   20.196(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6199(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1261
_cell_measurement_theta_min      2.267
_cell_measurement_theta_max      32.029

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_F_000             2736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.787
_shelx_estimated_absorpt_T_min   0.837
_shelx_estimated_absorpt_T_max   0.918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.837
_exptl_absorpt_correction_T_max  0.918
_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            99234
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.267
_diffrn_reflns_theta_max         32.029
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10715
_reflns_number_gt                8971
_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 4.3.0, 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)+(0.0400P)²+6.5530P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10715
_refine_ls_number_parameters     341
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0894
_refine_ls_wR_factor_gt          0.0810
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_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 0.45055(2) 0.41638(2) 0.04764(2) 0.01719(4) Uani 1 1 d . . . . .
Cl1 Cl 0.44800(2) 0.48012(3) -0.06169(2) 0.02300(8) Uani 1 1 d . . . . .
P1 P 0.44817(2) 0.37515(3) 0.15226(2) 0.01856(8) Uani 1 1 d . . . . .
Si1 Si 0.50732(2) 0.28928(3) 0.02879(2) 0.02126(9) Uani 1 1 d . . . . .
Si2 Si 0.34188(2) 0.36394(3) 0.03117(2) 0.02173(9) Uani 1 1 d . . . . .
C1 C 0.58732(9) 0.30342(12) 0.08089(9) 0.0264(3) Uani 1 1 d . . . . .
H1A1 H 0.611196 0.247552 0.079659 0.032 Uiso 1 1 calc R U . . .
H1A2 H 0.616380 0.344428 0.056423 0.032 Uiso 1 1 calc R U . . .
C2 C 0.58850(9) 0.33206(11) 0.15225(9) 0.0235(3) Uani 1 1 d . . . . .
C3 C 0.65177(10) 0.32641(13) 0.18435(10) 0.0298(4) Uani 1 1 d . . . . .
H3A H 0.689033 0.301820 0.161282 0.036 Uiso 1 1 calc R U . . .
C4 C 0.66153(11) 0.35543(14) 0.24836(11) 0.0352(4) Uani 1 1 d . . . . .
H4A H 0.704984 0.351078 0.268513 0.042 Uiso 1 1 calc R U . . .
C5 C 0.60768(11) 0.39087(13) 0.28294(10) 0.0332(4) Uani 1 1 d . . . . .
H5A H 0.614052 0.411569 0.326741 0.040 Uiso 1 1 calc R U . . .
C6 C 0.54410(10) 0.39592(12) 0.25301(9) 0.0268(3) Uani 1 1 d . . . . .
H6A H 0.507136 0.419727 0.277006 0.032 Uiso 1 1 calc R U . . .
C7 C 0.53352(9) 0.36667(11) 0.18831(8) 0.0218(3) Uani 1 1 d . . . . .
C8 C 0.40537(9) 0.27585(11) 0.17634(8) 0.0226(3) Uani 1 1 d . . . . .
C9 C 0.43817(10) 0.21538(12) 0.21649(9) 0.0265(3) Uani 1 1 d . . . . .
H9A H 0.483028 0.226406 0.231584 0.032 Uiso 1 1 calc R U . . .
C10 C 0.40592(11) 0.13917(13) 0.23465(9) 0.0315(4) Uani 1 1 d . . . . .
H10A H 0.428603 0.098629 0.261934 0.038 Uiso 1 1 calc R U . . .
C11 C 0.34066(11) 0.12323(13) 0.21257(10) 0.0321(4) Uani 1 1 d . . . . .
H11A H 0.318448 0.071429 0.224628 0.039 Uiso 1 1 calc R U . . .
C12 C 0.30740(10) 0.18270(12) 0.17280(9) 0.0280(3) Uani 1 1 d . . . . .
H12A H 0.262483 0.170855 0.158266 0.034 Uiso 1 1 calc R U . . .
C13 C 0.33853(9) 0.25980(12) 0.15358(8) 0.0240(3) Uani 1 1 d . . . . .
C14 C 0.30074(9) 0.32292(12) 0.11117(9) 0.0257(3) Uani 1 1 d . . . . .
H14A H 0.290333 0.373514 0.139018 0.031 Uiso 1 1 calc R U . . .
H14B H 0.256779 0.296392 0.099059 0.031 Uiso 1 1 calc R U . . .
C15 C 0.46938(11) 0.17857(12) 0.04377(9) 0.0283(4) Uani 1 1 d . . . . .
H15A H 0.427839 0.185082 0.070927 0.034 Uiso 1 1 calc R U . . .
H15B H 0.455653 0.153899 0.000625 0.034 Uiso 1 1 calc R U . . .
C16 C 0.51724(13) 0.11500(14) 0.07857(12) 0.0385(5) Uani 1 1 d . . . . .
H16A H 0.558384 0.106701 0.051125 0.046 Uiso 1 1 calc R U . . .
H16B H 0.531612 0.139321 0.121630 0.046 Uiso 1 1 calc R U . . .
C17 C 0.48305(18) 0.02811(16) 0.09017(15) 0.0555(7) Uani 1 1 d . . . . .
H17A H 0.445133 0.035181 0.121128 0.083 Uiso 1 1 calc R U . . .
H17B H 0.516129 -0.012175 0.108808 0.083 Uiso 1 1 calc R U . . .
H17C H 0.465978 0.005694 0.047998 0.083 Uiso 1 1 calc R U . . .
C18 C 0.54311(10) 0.29043(13) -0.05933(9) 0.0282(4) Uani 1 1 d . . . . .
H18A H 0.560698 0.349679 -0.067501 0.034 Uiso 1 1 calc R U . . .
C19 C 0.49370(11) 0.27037(14) -0.11498(10) 0.0345(4) Uani 1 1 d . . . . .
H19A H 0.517558 0.272926 -0.157518 0.052 Uiso 1 1 calc R U . . .
H19B H 0.456765 0.312510 -0.114712 0.052 Uiso 1 1 calc R U . . .
H19C H 0.474910 0.212744 -0.108605 0.052 Uiso 1 1 calc R U . . .
C20 C 0.60428(12) 0.22884(16) -0.06577(12) 0.0411(5) Uani 1 1 d . . . . .
H20A H 0.589115 0.169747 -0.058296 0.062 Uiso 1 1 calc R U . . .
H20B H 0.638787 0.244004 -0.032818 0.062 Uiso 1 1 calc R U . . .
H20C H 0.623720 0.233728 -0.110279 0.062 Uiso 1 1 calc R U . . .
C21 C 0.33160(10) 0.28218(13) -0.03931(9) 0.0289(4) Uani 1 1 d . . . . .
H21A H 0.377881 0.257692 -0.046981 0.035 Uiso 1 1 calc R U . . .
C22 C 0.28627(12) 0.20628(14) -0.02312(11) 0.0372(4) Uani 1 1 d . . . . .
H22A H 0.239996 0.226579 -0.014543 0.056 Uiso 1 1 calc R U . . .
H22B H 0.303710 0.176872 0.016251 0.056 Uiso 1 1 calc R U . . .
H22C H 0.285832 0.166382 -0.060623 0.056 Uiso 1 1 calc R U . . .
C23 C 0.31030(12) 0.32268(15) -0.10531(10) 0.0375(5) Uani 1 1 d . . . . .
H23A H 0.312883 0.279510 -0.140494 0.056 Uiso 1 1 calc R U . . .
H23B H 0.340797 0.370473 -0.115801 0.056 Uiso 1 1 calc R U . . .
H23C H 0.263605 0.343957 -0.101808 0.056 Uiso 1 1 calc R U . . .
C24 C 0.28953(9) 0.46452(12) 0.01267(10) 0.0296(4) Uani 1 1 d . . . . .
H24A H 0.301582 0.483858 -0.033060 0.035 Uiso 1 1 calc R U . . .
C25 C 0.21220(11) 0.44923(15) 0.01420(13) 0.0412(5) Uani 1 1 d . . . . .
H25A H 0.198041 0.435548 0.059501 0.062 Uiso 1 1 calc R U . . .
H25B H 0.200732 0.401301 -0.015155 0.062 Uiso 1 1 calc R U . . .
H25C H 0.188662 0.501113 -0.000788 0.062 Uiso 1 1 calc R U . . .
C26 C 0.30864(12) 0.53710(14) 0.06035(12) 0.0374(4) Uani 1 1 d . . . . .
H26A H 0.283673 0.589218 0.048354 0.056 Uiso 1 1 calc R U . . .
H26B H 0.357555 0.548104 0.057478 0.056 Uiso 1 1 calc R U . . .
H26C H 0.296922 0.520384 0.105711 0.056 Uiso 1 1 calc R U . . .
C27 C 0.40620(9) 0.45567(12) 0.20498(8) 0.0236(3) Uani 1 1 d . . . . .
C28 C 0.42165(10) 0.54257(12) 0.19531(9) 0.0267(3) Uani 1 1 d . . . . .
H28A H 0.454131 0.558580 0.162796 0.032 Uiso 1 1 calc R U . . .
C29 C 0.38971(11) 0.60564(13) 0.23302(10) 0.0324(4) Uani 1 1 d . . . . .
H29A H 0.400196 0.664429 0.225992 0.039 Uiso 1 1 calc R U . . .
C30 C 0.34247(12) 0.58237(15) 0.28097(12) 0.0405(5) Uani 1 1 d . . . . .
H30A H 0.320497 0.625369 0.306517 0.049 Uiso 1 1 calc R U . . .
C31 C 0.32738(13) 0.49671(16) 0.29157(12) 0.0438(5) Uani 1 1 d . . . . .
H31A H 0.295447 0.481028 0.324688 0.053 Uiso 1 1 calc R U . . .
C32 C 0.35907(11) 0.43316(14) 0.25358(10) 0.0342(4) Uani 1 1 d . . . . .
H32A H 0.348450 0.374471 0.260904 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 2.2088(10) . ?
Rh1 Si1 2.3064(9) . ?
Rh1 Si2 2.3147(9) . ?
Rh1 Cl1 2.4217(10) . ?
Rh1 Cl1 2.5832(8) 5_665 ?
P1 C8 1.8282(18) . ?
P1 C7 1.8364(18) . ?
P1 C27 1.8416(18) . ?
Si1 C15 1.905(2) . ?
Si1 C1 1.9071(19) . ?
Si1 C18 1.914(2) . ?
Si2 C24 1.913(2) . ?
Si2 C14 1.9172(19) . ?
Si2 C21 1.921(2) . ?
C1 C2 1.509(3) . ?
C1 H1A1 0.9900 . ?
C1 H1A2 0.9900 . ?
C2 C3 1.407(2) . ?
C2 C7 1.412(3) . ?
C3 C4 1.383(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.385(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.392(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.400(2) . ?
C6 H6A 0.9500 . ?
C8 C9 1.401(2) . ?
C8 C13 1.416(2) . ?
C9 C10 1.396(3) . ?
C9 H9A 0.9500 . ?
C10 C11 1.383(3) . ?
C10 H10A 0.9500 . ?
C11 C12 1.390(3) . ?
C11 H11A 0.9500 . ?
C12 C13 1.404(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.502(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.538(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.531(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.519(3) . ?
C18 C20 1.546(3) . ?
C18 H18A 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.518(3) . ?
C21 C23 1.533(3) . ?
C21 H21A 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 1.533(3) . ?
C24 C25 1.542(3) . ?
C24 H24A 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 C32 1.396(3) . ?
C27 C28 1.402(3) . ?
C28 C29 1.394(3) . ?
C28 H28A 0.9500 . ?
C29 C30 1.391(3) . ?
C29 H29A 0.9500 . ?
C30 C31 1.385(3) . ?
C30 H30A 0.9500 . ?
C31 C32 1.400(3) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Si1 85.31(2) . . ?
P1 Rh1 Si2 90.864(18) . . ?
Si1 Rh1 Si2 96.95(3) . . ?
P1 Rh1 Cl1 172.308(17) . . ?
Si1 Rh1 Cl1 102.23(2) . . ?
Si2 Rh1 Cl1 89.696(19) . . ?
P1 Rh1 Cl1 95.343(19) . 5_665 ?
Si1 Rh1 Cl1 100.36(3) . 5_665 ?
Si2 Rh1 Cl1 162.021(18) . 5_665 ?
Cl1 Rh1 Cl1 81.95(2) . 5_665 ?
Rh1 Cl1 Rh1 98.05(2) . 5_665 ?
C8 P1 C7 104.80(8) . . ?
C8 P1 C27 102.49(8) . . ?
C7 P1 C27 103.33(8) . . ?
C8 P1 Rh1 120.70(6) . . ?
C7 P1 Rh1 112.38(6) . . ?
C27 P1 Rh1 111.36(6) . . ?
C15 Si1 C1 109.95(9) . . ?
C15 Si1 C18 107.50(9) . . ?
C1 Si1 C18 101.99(9) . . ?
C15 Si1 Rh1 124.19(7) . . ?
C1 Si1 Rh1 102.12(6) . . ?
C18 Si1 Rh1 108.90(7) . . ?
C24 Si2 C14 102.14(9) . . ?
C24 Si2 C21 110.00(9) . . ?
C14 Si2 C21 111.02(9) . . ?
C24 Si2 Rh1 103.70(7) . . ?
C14 Si2 Rh1 112.79(6) . . ?
C21 Si2 Rh1 115.98(7) . . ?
C2 C1 Si1 125.02(13) . . ?
C2 C1 H1A1 106.1 . . ?
Si1 C1 H1A1 106.1 . . ?
C2 C1 H1A2 106.1 . . ?
Si1 C1 H1A2 106.1 . . ?
H1A1 C1 H1A2 106.3 . . ?
C3 C2 C7 117.71(16) . . ?
C3 C2 C1 115.80(16) . . ?
C7 C2 C1 126.43(15) . . ?
C4 C3 C2 122.23(19) . . ?
C4 C3 H3A 118.9 . . ?
C2 C3 H3A 118.9 . . ?
C3 C4 C5 119.70(18) . . ?
C3 C4 H4A 120.1 . . ?
C5 C4 H4A 120.1 . . ?
C4 C5 C6 119.48(18) . . ?
C4 C5 H5A 120.3 . . ?
C6 C5 H5A 120.3 . . ?
C5 C6 C7 121.39(18) . . ?
C5 C6 H6A 119.3 . . ?
C7 C6 H6A 119.3 . . ?
C6 C7 C2 119.47(16) . . ?
C6 C7 P1 118.88(14) . . ?
C2 C7 P1 121.65(13) . . ?
C9 C8 C13 119.82(16) . . ?
C9 C8 P1 120.73(14) . . ?
C13 C8 P1 119.45(13) . . ?
C10 C9 C8 120.98(18) . . ?
C10 C9 H9A 119.5 . . ?
C8 C9 H9A 119.5 . . ?
C11 C10 C9 119.41(18) . . ?
C11 C10 H10A 120.3 . . ?
C9 C10 H10A 120.3 . . ?
C10 C11 C12 120.28(17) . . ?
C10 C11 H11A 119.9 . . ?
C12 C11 H11A 119.9 . . ?
C11 C12 C13 121.65(18) . . ?
C11 C12 H12A 119.2 . . ?
C13 C12 H12A 119.2 . . ?
C12 C13 C8 117.86(16) . . ?
C12 C13 C14 120.14(16) . . ?
C8 C13 C14 121.99(15) . . ?
C13 C14 Si2 119.32(13) . . ?
C13 C14 H14A 107.5 . . ?
Si2 C14 H14A 107.5 . . ?
C13 C14 H14B 107.5 . . ?
Si2 C14 H14B 107.5 . . ?
H14A C14 H14B 107.0 . . ?
C16 C15 Si1 114.58(15) . . ?
C16 C15 H15A 108.6 . . ?
Si1 C15 H15A 108.6 . . ?
C16 C15 H15B 108.6 . . ?
Si1 C15 H15B 108.6 . . ?
H15A C15 H15B 107.6 . . ?
C17 C16 C15 111.7(2) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C20 107.99(17) . . ?
C19 C18 Si1 116.75(14) . . ?
C20 C18 Si1 111.06(14) . . ?
C19 C18 H18A 106.8 . . ?
C20 C18 H18A 106.8 . . ?
Si1 C18 H18A 106.8 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C23 110.33(16) . . ?
C22 C21 Si2 114.79(14) . . ?
C23 C21 Si2 113.56(15) . . ?
C22 C21 H21A 105.8 . . ?
C23 C21 H21A 105.8 . . ?
Si2 C21 H21A 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 110.13(19) . . ?
C26 C24 Si2 110.47(14) . . ?
C25 C24 Si2 113.68(14) . . ?
C26 C24 H24A 107.4 . . ?
C25 C24 H24A 107.4 . . ?
Si2 C24 H24A 107.4 . . ?
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 . . ?
C32 C27 C28 119.02(17) . . ?
C32 C27 P1 122.25(15) . . ?
C28 C27 P1 118.72(13) . . ?
C29 C28 C27 120.50(18) . . ?
C29 C28 H28A 119.7 . . ?
C27 C28 H28A 119.7 . . ?
C30 C29 C28 119.9(2) . . ?
C30 C29 H29A 120.1 . . ?
C28 C29 H29A 120.1 . . ?
C31 C30 C29 120.17(19) . . ?
C31 C30 H30A 119.9 . . ?
C29 C30 H30A 119.9 . . ?
C30 C31 C32 120.1(2) . . ?
C30 C31 H31A 119.9 . . ?
C32 C31 H31A 119.9 . . ?
C27 C32 C31 120.3(2) . . ?
C27 C32 H32A 119.9 . . ?
C31 C32 H32A 119.9 . . ?

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 171.11(14) . . . . ?
Si1 C1 C2 C7 -11.6(3) . . . . ?
C7 C2 C3 C4 -1.7(3) . . . . ?
C1 C2 C3 C4 175.79(18) . . . . ?
C2 C3 C4 C5 0.5(3) . . . . ?
C3 C4 C5 C6 0.7(3) . . . . ?
C4 C5 C6 C7 -0.6(3) . . . . ?
C5 C6 C7 C2 -0.6(3) . . . . ?
C5 C6 C7 P1 179.81(15) . . . . ?
C3 C2 C7 C6 1.8(3) . . . . ?
C1 C2 C7 C6 -175.45(17) . . . . ?
C3 C2 C7 P1 -178.69(14) . . . . ?
C1 C2 C7 P1 4.1(3) . . . . ?
C8 P1 C7 C6 -88.16(15) . . . . ?
C27 P1 C7 C6 18.85(16) . . . . ?
Rh1 P1 C7 C6 139.01(13) . . . . ?
C8 P1 C7 C2 92.31(15) . . . . ?
C27 P1 C7 C2 -160.68(14) . . . . ?
Rh1 P1 C7 C2 -40.52(16) . . . . ?
C7 P1 C8 C9 2.42(17) . . . . ?
C27 P1 C8 C9 -105.20(16) . . . . ?
Rh1 P1 C8 C9 130.36(13) . . . . ?
C7 P1 C8 C13 -177.04(13) . . . . ?
C27 P1 C8 C13 75.34(15) . . . . ?
Rh1 P1 C8 C13 -49.10(16) . . . . ?
C13 C8 C9 C10 -0.1(3) . . . . ?
P1 C8 C9 C10 -179.55(15) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C11 C12 C13 C8 -0.4(3) . . . . ?
C11 C12 C13 C14 -179.34(18) . . . . ?
C9 C8 C13 C12 0.2(3) . . . . ?
P1 C8 C13 C12 179.69(13) . . . . ?
C9 C8 C13 C14 179.20(17) . . . . ?
P1 C8 C13 C14 -1.3(2) . . . . ?
C12 C13 C14 Si2 -127.33(16) . . . . ?
C8 C13 C14 Si2 53.7(2) . . . . ?
Si1 C15 C16 C17 178.91(16) . . . . ?
C8 P1 C27 C32 5.49(18) . . . . ?
C7 P1 C27 C32 -103.25(17) . . . . ?
Rh1 P1 C27 C32 135.89(16) . . . . ?
C8 P1 C27 C28 -173.74(14) . . . . ?
C7 P1 C27 C28 77.51(16) . . . . ?
Rh1 P1 C27 C28 -43.34(16) . . . . ?
C32 C27 C28 C29 -0.9(3) . . . . ?
P1 C27 C28 C29 178.37(15) . . . . ?
C27 C28 C29 C30 0.4(3) . . . . ?
C28 C29 C30 C31 0.4(4) . . . . ?
C29 C30 C31 C32 -0.7(4) . . . . ?
C28 C27 C32 C31 0.6(3) . . . . ?
P1 C27 C32 C31 -178.67(18) . . . . ?
C30 C31 C32 C27 0.2(4) . . . . ?

_refine_diff_density_max         1.004
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.118

####################################################################### 
# 
# 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_Rh-5
_database_code_depnum_ccdc_archive 'CCDC 2133161'
loop_
_audit_author_name
_audit_author_address
'Bruno Donnadieu'
;Mississippi State University
United States of America
;
_audit_update_record             
;
2022-01-07 deposited with the CCDC.	2023-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H40 Cl O P Rh Si2'
_chemical_formula_sum            'C32 H40 Cl O P Rh Si2'
_chemical_formula_weight         666.15

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'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 '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                   9.844(5)
_cell_length_b                   11.815(7)
_cell_length_c                   13.809(8)
_cell_angle_alpha                102.799(15)
_cell_angle_beta                 95.00(2)
_cell_angle_gamma                97.929(16)
_cell_volume                     1539.7(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1331
_cell_measurement_theta_min      3.307
_cell_measurement_theta_max      2.574

_exptl_crystal_description       'prism frag'
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_F_000             690
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.173
_exptl_crystal_size_min          0.107
_exptl_absorpt_coefficient_mu    6.699
_shelx_estimated_absorpt_T_min   0.236
_shelx_estimated_absorpt_T_max   0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.236
_exptl_absorpt_correction_T_max  0.534
_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            24271
_diffrn_reflns_av_unetI/netI     0.0731
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.307
_diffrn_reflns_theta_max         72.574
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             24271
_reflns_number_gt                21580
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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 v2018.7.2'
_computing_cell_refinement       'APEX3 v2018.7.2'
_computing_data_reduction        'Saint, APEX v2018.7.2.'
_computing_structure_solution    SHELXL2018/3
_computing_structure_refinement  'SHELXTL-2016/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2018.7.2'
_refine_special_details          
;
 Refined as a 2-component perfect 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)+(0.0413P)²+1.6201P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         24271
_refine_ls_number_parameters     409
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1129
_refine_ls_wR_factor_gt          0.1067
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.029
_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 0.57889(3) 0.43011(3) 0.89749(3) 0.02882(12) Uani 1 1 d . . . . .
Cl1 Cl 0.63931(12) 0.60381(12) 1.03314(11) 0.0551(4) Uani 1 1 d . . . . .
P1 P 0.55558(10) 0.25819(9) 0.78926(8) 0.0212(2) Uani 1 1 d . . . . .
Si1 Si 0.50046(12) 0.51019(11) 0.77302(11) 0.0373(3) Uani 1 1 d . . . . .
Si2 Si 0.79106(12) 0.51775(10) 0.74749(9) 0.0258(3) Uani 1 1 d . . . . .
O1 O 0.6338(3) 0.5432(3) 0.7142(3) 0.0346(8) Uani 1 1 d . . . . .
C2 C 0.7815(4) 0.4467(4) 0.8579(3) 0.0220(9) Uani 1 1 d . . . . .
H2 H 0.842053 0.501675 0.916000 0.026 Uiso 1 1 calc R U . . .
C3 C 0.8259(4) 0.3280(4) 0.8477(3) 0.0223(9) Uani 1 1 d . . . . .
C4 C 0.9636(4) 0.3139(4) 0.8728(3) 0.0264(9) Uani 1 1 d . . . . .
H4 H 1.032726 0.381440 0.896479 0.032 Uiso 1 1 calc R U . . .
C5 C 0.9993(5) 0.2034(4) 0.8636(3) 0.0310(10) Uani 1 1 d . . . . .
H5 H 1.093045 0.195925 0.879340 0.037 Uiso 1 1 calc R U . . .
C6 C 0.9001(5) 0.1029(4) 0.8315(4) 0.0344(11) Uani 1 1 d . . . . .
H6 H 0.925513 0.027420 0.827145 0.041 Uiso 1 1 calc R U . . .
C7 C 0.7644(5) 0.1133(4) 0.8058(3) 0.0297(10) Uani 1 1 d . . . . .
H7 H 0.696288 0.044953 0.782997 0.036 Uiso 1 1 calc R U . . .
C8 C 0.7275(4) 0.2249(4) 0.8137(3) 0.0235(9) Uani 1 1 d . . . . .
C9 C 0.4322(4) 0.1400(4) 0.8120(3) 0.0255(9) Uani 1 1 d . . . . .
C10 C 0.4413(5) 0.1149(5) 0.9060(4) 0.0402(12) Uani 1 1 d . . . . .
H10 H 0.515142 0.155394 0.955864 0.048 Uiso 1 1 calc R U . . .
C11 C 0.3428(6) 0.0310(6) 0.9270(5) 0.0478(14) Uani 1 1 d . . . . .
H11 H 0.349297 0.014512 0.991366 0.057 Uiso 1 1 calc R U . . .
C12 C 0.2354(5) -0.0287(5) 0.8551(4) 0.0400(12) Uani 1 1 d . . . . .
H12 H 0.168591 -0.086458 0.870011 0.048 Uiso 1 1 calc R U . . .
C13 C 0.2249(5) -0.0050(4) 0.7620(4) 0.0358(11) Uani 1 1 d . . . . .
H13 H 0.151038 -0.046356 0.712424 0.043 Uiso 1 1 calc R U . . .
C14 C 0.3227(5) 0.0799(4) 0.7405(4) 0.0296(10) Uani 1 1 d . . . . .
H14 H 0.314637 0.096884 0.676324 0.035 Uiso 1 1 calc R U . . .
C15 C 0.5206(4) 0.2405(4) 0.6545(3) 0.0238(9) Uani 1 1 d . . . . .
C16 C 0.5832(5) 0.1595(4) 0.5907(3) 0.0298(10) Uani 1 1 d . . . . .
H16 H 0.643310 0.115032 0.617910 0.036 Uiso 1 1 calc R U . . .
C17 C 0.5575(6) 0.1439(5) 0.4874(4) 0.0431(13) Uani 1 1 d . . . . .
H17 H 0.599719 0.088596 0.444080 0.052 Uiso 1 1 calc R U . . .
C18 C 0.4710(7) 0.2088(6) 0.4486(4) 0.0527(16) Uani 1 1 d . . . . .
H18 H 0.452546 0.197119 0.378144 0.063 Uiso 1 1 calc R U . . .
C19 C 0.4108(6) 0.2904(5) 0.5101(4) 0.0440(13) Uani 1 1 d . . . . .
H19 H 0.353554 0.335836 0.481364 0.053 Uiso 1 1 calc R U . . .
C20 C 0.4320(5) 0.3081(4) 0.6151(4) 0.0316(10) Uani 1 1 d . . . . .
C21 C 0.3672(5) 0.3975(4) 0.6807(4) 0.0395(12) Uani 1 1 d . . . . .
H21A H 0.301875 0.357710 0.717928 0.047 Uiso 1 1 calc R U . . .
H21B H 0.313918 0.438176 0.638808 0.047 Uiso 1 1 calc R U . . .
C22A C 0.4265(11) 0.6453(10) 0.8327(8) 0.031(2) Uani 0.519(11) 1 d D U P A 1
H22A H 0.502359 0.702855 0.877823 0.037 Uiso 0.519(11) 1 calc R U P A 1
C23A C 0.3011(11) 0.6322(10) 0.8899(8) 0.026(2) Uani 0.519(11) 1 d D U P A 1
H23A H 0.267172 0.707529 0.906584 0.039 Uiso 0.519(11) 1 calc R U P A 1
H23B H 0.327945 0.608632 0.951666 0.039 Uiso 0.519(11) 1 calc R U P A 1
H23C H 0.227853 0.572154 0.848247 0.039 Uiso 0.519(11) 1 calc R U P A 1
C24A C 0.3866(15) 0.6953(12) 0.7415(8) 0.057(3) Uani 0.519(11) 1 d D U P A 1
H24A H 0.296706 0.652840 0.706899 0.085 Uiso 0.519(11) 1 calc R U P A 1
H24B H 0.456772 0.685750 0.695415 0.085 Uiso 0.519(11) 1 calc R U P A 1
H24C H 0.381051 0.779034 0.764311 0.085 Uiso 0.519(11) 1 calc R U P A 1
C25A C 0.896(2) 0.6673(16) 0.7960(12) 0.029(3) Uani 0.519(11) 1 d D U P A 1
H25A H 0.989451 0.657566 0.824592 0.035 Uiso 0.519(11) 1 calc R U P A 1
C26A C 0.8341(14) 0.7471(11) 0.8780(9) 0.034(2) Uani 0.519(11) 1 d D U P A 1
H26A H 0.897016 0.821929 0.902742 0.051 Uiso 0.519(11) 1 calc R U P A 1
H26B H 0.820883 0.708563 0.933240 0.051 Uiso 0.519(11) 1 calc R U P A 1
H26C H 0.744827 0.761783 0.850484 0.051 Uiso 0.519(11) 1 calc R U P A 1
C27A C 0.915(4) 0.726(3) 0.7077(14) 0.035(4) Uani 0.519(11) 1 d D U P A 1
H27A H 0.826456 0.746643 0.684342 0.052 Uiso 0.519(11) 1 calc R U P A 1
H27B H 0.946135 0.671966 0.652916 0.052 Uiso 0.519(11) 1 calc R U P A 1
H27C H 0.983685 0.798006 0.729820 0.052 Uiso 0.519(11) 1 calc R U P A 1
C22B C 0.4244(11) 0.6547(9) 0.7879(9) 0.029(2) Uani 0.481(11) 1 d D U P A 2
H22B H 0.382292 0.656648 0.719838 0.035 Uiso 0.481(11) 1 calc R U P A 2
C24B C 0.5286(10) 0.7684(7) 0.8266(7) 0.031(2) Uani 0.481(11) 1 d D U P A 2
H24D H 0.480552 0.836244 0.829941 0.047 Uiso 0.481(11) 1 calc R U P A 2
H24E H 0.599280 0.771572 0.781046 0.047 Uiso 0.481(11) 1 calc R U P A 2
H24F H 0.572518 0.770059 0.893450 0.047 Uiso 0.481(11) 1 calc R U P A 2
C23B C 0.3061(11) 0.6530(11) 0.8541(11) 0.030(3) Uani 0.481(11) 1 d D U P A 2
H23D H 0.344808 0.664772 0.924094 0.045 Uiso 0.481(11) 1 calc R U P A 2
H23E H 0.244713 0.576989 0.832692 0.045 Uiso 0.481(11) 1 calc R U P A 2
H23F H 0.253570 0.716156 0.847576 0.045 Uiso 0.481(11) 1 calc R U P A 2
C25B C 0.918(2) 0.6641(17) 0.7730(12) 0.026(3) Uani 0.481(11) 1 d D U P A 2
H25B H 1.013715 0.644982 0.777035 0.032 Uiso 0.481(11) 1 calc R U P A 2
C26B C 0.9015(15) 0.7418(11) 0.8745(9) 0.033(3) Uani 0.481(11) 1 d D U P A 2
H26D H 0.952799 0.820991 0.881565 0.049 Uiso 0.481(11) 1 calc R U P A 2
H26E H 0.937770 0.708006 0.928179 0.049 Uiso 0.481(11) 1 calc R U P A 2
H26F H 0.803437 0.746214 0.878825 0.049 Uiso 0.481(11) 1 calc R U P A 2
C27B C 0.903(4) 0.733(3) 0.6906(14) 0.036(4) Uani 0.481(11) 1 d D U P A 2
H27D H 0.805034 0.727072 0.667112 0.054 Uiso 0.481(11) 1 calc R U P A 2
H27E H 0.951183 0.698919 0.634560 0.054 Uiso 0.481(11) 1 calc R U P A 2
H27F H 0.943797 0.815368 0.717806 0.054 Uiso 0.481(11) 1 calc R U P A 2
C28 C 0.8462(4) 0.4162(4) 0.6375(3) 0.0287(9) Uani 1 1 d D . . . .
H28 H 0.806741 0.334312 0.639622 0.034 Uiso 1 1 calc R U . . .
C29 C 0.7912(5) 0.4336(5) 0.5354(3) 0.0401(11) Uani 1 1 d D . . . .
H29A H 0.833835 0.510617 0.527772 0.060 Uiso 1 1 calc R U . . .
H29B H 0.690728 0.429592 0.531016 0.060 Uiso 1 1 calc R U . . .
H29C H 0.813992 0.371673 0.482273 0.060 Uiso 1 1 calc R U . . .
C30 C 1.0045(4) 0.4234(5) 0.6469(4) 0.0354(10) Uani 1 1 d D . . . .
H30A H 1.029463 0.366310 0.590993 0.053 Uiso 1 1 calc R U . . .
H30B H 1.036967 0.405647 0.710193 0.053 Uiso 1 1 calc R U . . .
H30C H 1.047650 0.502842 0.645635 0.053 Uiso 1 1 calc R U . . .
C1S C 0.0377(6) -0.0882(5) 0.4295(4) 0.0457(13) Uani 1 1 d . . . . .
H1S H 0.064282 -0.149037 0.381036 0.055 Uiso 1 1 calc R U . . .
C2S C 0.1150(6) 0.0235(5) 0.4533(4) 0.0418(12) Uani 1 1 d . . . . .
H2S H 0.194022 0.039363 0.420680 0.050 Uiso 1 1 calc R U . . .
C3S C 0.0776(5) 0.1114(5) 0.5241(4) 0.0377(11) Uani 1 1 d . . . . .
H3S H 0.131092 0.187842 0.540862 0.045 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 C2 2.108(4) . ?
Rh1 P1 2.2087(14) . ?
Rh1 Si1 2.2663(18) . ?
Rh1 Cl1 2.4167(15) . ?
Rh1 Cl1 2.4460(16) 2_667 ?
P1 C8 1.810(4) . ?
P1 C9 1.821(5) . ?
P1 C15 1.823(5) . ?
Si1 O1 1.649(4) . ?
Si1 C21 1.895(5) . ?
Si1 C22A 1.897(11) . ?
Si1 C22B 1.934(12) . ?
Si2 O1 1.663(3) . ?
Si2 C25A 1.87(2) . ?
Si2 C28 1.886(5) . ?
Si2 C2 1.900(5) . ?
Si2 C25B 1.93(2) . ?
C2 C3 1.507(6) . ?
C2 H2 1.0000 . ?
C3 C8 1.408(6) . ?
C3 C4 1.411(6) . ?
C4 C5 1.380(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.381(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(7) . ?
C7 H7 0.9500 . ?
C9 C14 1.391(6) . ?
C9 C10 1.393(7) . ?
C10 C11 1.384(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.379(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.374(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.391(7) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.398(6) . ?
C15 C20 1.413(7) . ?
C16 C17 1.393(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.372(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.373(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.410(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.486(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22A C23A 1.531(9) . ?
C22A C24A 1.548(9) . ?
C22A H22A 1.0000 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A C26A 1.533(9) . ?
C25A C27A 1.546(9) . ?
C25A H25A 1.0000 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C22B C24B 1.532(9) . ?
C22B C23B 1.543(9) . ?
C22B H22B 1.0000 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C25B C26B 1.531(9) . ?
C25B C27B 1.544(9) . ?
C25B H25B 1.0000 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28 C29 1.532(6) . ?
C28 C30 1.541(6) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C1S C3S 1.375(8) 2_556 ?
C1S C2S 1.384(8) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.374(7) . ?
C2S H2S 0.9500 . ?
C3S H3S 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
C2 Rh1 P1 82.67(11) . . ?
C2 Rh1 Si1 92.45(13) . . ?
P1 Rh1 Si1 89.51(6) . . ?
C2 Rh1 Cl1 91.64(11) . . ?
P1 Rh1 Cl1 168.77(5) . . ?
Si1 Rh1 Cl1 100.44(7) . . ?
C2 Rh1 Cl1 169.88(13) . 2_667 ?
P1 Rh1 Cl1 97.46(5) . 2_667 ?
Si1 Rh1 Cl1 97.68(6) . 2_667 ?
Cl1 Rh1 Cl1 86.44(5) . 2_667 ?
Rh1 Cl1 Rh1 93.56(5) . 2_667 ?
C8 P1 C9 108.0(2) . . ?
C8 P1 C15 106.91(19) . . ?
C9 P1 C15 102.6(2) . . ?
C8 P1 Rh1 98.87(14) . . ?
C9 P1 Rh1 116.41(14) . . ?
C15 P1 Rh1 123.00(15) . . ?
O1 Si1 C21 108.1(2) . . ?
O1 Si1 C22A 112.2(3) . . ?
C21 Si1 C22A 112.2(4) . . ?
O1 Si1 C22B 99.7(3) . . ?
C21 Si1 C22B 104.2(4) . . ?
O1 Si1 Rh1 106.83(13) . . ?
C21 Si1 Rh1 109.76(19) . . ?
C22A Si1 Rh1 107.7(3) . . ?
C22B Si1 Rh1 126.8(4) . . ?
O1 Si2 C25A 104.5(6) . . ?
O1 Si2 C28 108.32(18) . . ?
C25A Si2 C28 118.1(5) . . ?
O1 Si2 C2 107.84(18) . . ?
C25A Si2 C2 106.7(6) . . ?
C28 Si2 C2 110.85(19) . . ?
O1 Si2 C25B 108.3(7) . . ?
C28 Si2 C25B 106.4(5) . . ?
C2 Si2 C25B 114.9(6) . . ?
Si1 O1 Si2 122.6(2) . . ?
C3 C2 Si2 118.0(3) . . ?
C3 C2 Rh1 107.0(3) . . ?
Si2 C2 Rh1 110.3(2) . . ?
C3 C2 H2 107.0 . . ?
Si2 C2 H2 107.0 . . ?
Rh1 C2 H2 107.0 . . ?
C8 C3 C4 117.1(4) . . ?
C8 C3 C2 119.9(4) . . ?
C4 C3 C2 122.9(4) . . ?
C5 C4 C3 121.0(4) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 120.9(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 119.7(4) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C8 119.8(4) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C7 C8 C3 121.5(4) . . ?
C7 C8 P1 126.8(3) . . ?
C3 C8 P1 111.6(3) . . ?
C14 C9 C10 118.8(4) . . ?
C14 C9 P1 121.8(4) . . ?
C10 C9 P1 119.2(4) . . ?
C11 C10 C9 120.1(5) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 120.5(5) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C13 C12 C11 120.2(5) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 119.8(5) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C9 C14 C13 120.6(5) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C20 120.5(4) . . ?
C16 C15 P1 119.0(4) . . ?
C20 C15 P1 120.5(3) . . ?
C17 C16 C15 120.2(5) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 119.6(5) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 121.0(5) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C20 121.4(5) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C15 117.3(5) . . ?
C19 C20 C21 120.8(5) . . ?
C15 C20 C21 121.9(4) . . ?
C20 C21 Si1 111.9(3) . . ?
C20 C21 H21A 109.2 . . ?
Si1 C21 H21A 109.2 . . ?
C20 C21 H21B 109.2 . . ?
Si1 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C23A C22A C24A 108.8(7) . . ?
C23A C22A Si1 119.9(7) . . ?
C24A C22A Si1 102.3(7) . . ?
C23A C22A H22A 108.4 . . ?
C24A C22A H22A 108.4 . . ?
Si1 C22A H22A 108.4 . . ?
C22A C23A H23A 109.5 . . ?
C22A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C22A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C22A C24A H24A 109.5 . . ?
C22A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C22A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C26A C25A C27A 109.8(8) . . ?
C26A C25A Si2 113.9(11) . . ?
C27A C25A Si2 108.9(16) . . ?
C26A C25A H25A 108.0 . . ?
C27A C25A H25A 108.0 . . ?
Si2 C25A H25A 108.0 . . ?
C25A C26A H26A 109.5 . . ?
C25A C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C25A C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C25A C27A H27A 109.5 . . ?
C25A C27A H27B 109.5 . . ?
H27A C27A H27B 109.5 . . ?
C25A C27A H27C 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
C24B C22B C23B 110.1(8) . . ?
C24B C22B Si1 115.7(8) . . ?
C23B C22B Si1 110.3(7) . . ?
C24B C22B H22B 106.8 . . ?
C23B C22B H22B 106.8 . . ?
Si1 C22B H22B 106.8 . . ?
C22B C24B H24D 109.5 . . ?
C22B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C22B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C22B C23B H23D 109.5 . . ?
C22B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C22B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C26B C25B C27B 110.0(9) . . ?
C26B C25B Si2 109.9(11) . . ?
C27B C25B Si2 114.0(19) . . ?
C26B C25B H25B 107.5 . . ?
C27B C25B H25B 107.5 . . ?
Si2 C25B H25B 107.5 . . ?
C25B C26B H26D 109.5 . . ?
C25B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C25B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C25B C27B H27D 109.5 . . ?
C25B C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C25B C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C29 C28 C30 110.6(4) . . ?
C29 C28 Si2 114.2(3) . . ?
C30 C28 Si2 111.4(3) . . ?
C29 C28 H28 106.7 . . ?
C30 C28 H28 106.7 . . ?
Si2 C28 H28 106.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C3S C1S C2S 120.1(5) 2_556 . ?
C3S C1S H1S 119.9 2_556 . ?
C2S C1S H1S 119.9 . . ?
C3S C2S C1S 120.1(5) . . ?
C3S C2S H2S 119.9 . . ?
C1S C2S H2S 119.9 . . ?
C2S C3S C1S 119.7(5) . 2_556 ?
C2S C3S H3S 120.1 . . ?
C1S C3S H3S 120.1 2_556 . ?

_refine_diff_density_max         0.880
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.095

