#------------------------------------------------------------------------------
#$Date: 2023-10-19 01:55:05 +0300 (Thu, 19 Oct 2023) $
#$Revision: 287022 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/42/7714245.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7714245
loop_
_publ_author_name
'Abeynayake, Niroshani S.'
'Le, Nghia'
'Sanchez-Lecuona, Gabriela'
'Donnadieu, Bruno'
'Webster, Charles Edwin'
'Montiel-Palma, Virginia'
_publ_section_title
;
 Unexpected alkyl isomerization at the silicon ligand of an unsaturated Rh
 complex: combined experiment and theory
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02087H
_journal_year                    2023
_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
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-01-07 deposited with the CCDC.	2023-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                102.799(15)
_cell_angle_beta                 95.00(2)
_cell_angle_gamma                97.929(16)
_cell_formula_units_Z            2
_cell_length_a                   9.844(5)
_cell_length_b                   11.815(7)
_cell_length_c                   13.809(8)
_cell_measurement_reflns_used    1331
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      2.574
_cell_measurement_theta_min      3.307
_cell_volume                     1539.6(15)
_computing_cell_refinement       'APEX3 v2018.7.2'
_computing_data_collection       'APEX3 v2018.7.2'
_computing_data_reduction        'Saint, APEX v2018.7.2.'
_computing_molecular_graphics    'POV-Ray v 3.7'
_computing_publication_material  'APEX3 v2018.7.2'
_computing_structure_refinement  'SHELXTL-2016/6 (Sheldrick, 2014)'
_computing_structure_solution    SHELXL2018/3
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker AXS D8 Venture '
_diffrn_measurement_method       'profile data from θ/2θ scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_unetI/netI     0.0731
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24271
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.574
_diffrn_reflns_theta_min         3.307
_exptl_absorpt_coefficient_mu    6.699
_exptl_absorpt_correction_T_max  0.534
_exptl_absorpt_correction_T_min  0.236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_description       'prism frag'
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.173
_exptl_crystal_size_min          0.107
_refine_diff_density_max         0.880
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         24271
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0413P)²+1.6201P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1129
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21580
_reflns_number_total             24271
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02087h2.cif
_cod_data_source_block           Rh-5
_cod_original_cell_volume        1539.7(15)
_cod_database_code               7714245
_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.
;
_shelx_estimated_absorpt_t_min   0.236
_shelx_estimated_absorpt_t_max   0.534
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 . . .
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'
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 . ?
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 . ?
