#------------------------------------------------------------------------------
#$Date: 2019-11-25 17:47:05 +0100 (lun 25 de nov de 2019) $
#$Revision: 241551 $
#$URL: svn://www.crystallography.net/cod/cif/4/13/13/4131326.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_4131326
loop_
_publ_author_name
'Stevens, Tyler E.'
'Smoll, Karena A.'
'Goldberg, Karen I.'
_publ_section_title
;
 Direct Formation of Carbon(sp³)-Heteroatom Bonds from
 RhIII To Produce Methyl Iodide, Thioethers, and Alkylamines.
;
_journal_issue                   23
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7725
_journal_page_last               7728
_journal_paper_doi               10.1021/jacs.7b04169
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C37 H31 I2 O P2 Rh, C H2 Cl2'
_chemical_formula_sum            'C38 H33 Cl2 I2 O P2 Rh'
_chemical_formula_weight         995.19
_chemical_name_common            tes009
_chemical_name_systematic
;
 tes009
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2013-10-31T14:48:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90.638(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.551(2)
_cell_length_b                   14.785(2)
_cell_length_c                   19.348(3)
_cell_measurement_reflns_used    515
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     3590.1(9)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            221659
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         34.51
_diffrn_reflns_theta_min         2.13
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.464
_exptl_absorpt_correction_T_max  0.8867
_exptl_absorpt_correction_T_min  0.6939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.883
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         14207
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.026
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0296P)²+4.3748P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0672
_reflns_number_gt                12312
_reflns_number_total             14207
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja7b04169_si_002.cif
_cod_data_source_block           tes_009
_cod_original_cell_volume        3590.2(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4131326
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.41430(12) 0.57497(11) 0.23206(8) 0.0123(3) Uani 1 1 d . . .
C2 C 0.49855(14) 0.61857(13) 0.19895(9) 0.0166(3) Uani 1 1 d . . .
H2 H 0.5663 0.6213 0.2212 0.02 Uiso 1 1 calc R . .
C3 C 0.48518(15) 0.65792(14) 0.13431(10) 0.0202(3) Uani 1 1 d . . .
H3 H 0.5438 0.6859 0.1122 0.024 Uiso 1 1 calc R . .
C4 C 0.38585(16) 0.65622(14) 0.10222(10) 0.0216(4) Uani 1 1 d . . .
H4 H 0.3749 0.6873 0.0598 0.026 Uiso 1 1 calc R . .
C5 C 0.30281(14) 0.60937(13) 0.13193(9) 0.0189(3) Uani 1 1 d . . .
H5 H 0.2351 0.6071 0.1096 0.023 Uiso 1 1 calc R . .
C6 C 0.31913(13) 0.56569(12) 0.19450(9) 0.0139(3) Uani 1 1 d . . .
C7 C 0.16759(13) 0.45971(12) 0.18758(9) 0.0146(3) Uani 1 1 d . . .
C8 C 0.18320(14) 0.43551(13) 0.11906(9) 0.0186(3) Uani 1 1 d . . .
H8 H 0.2443 0.456 0.0951 0.022 Uiso 1 1 calc R . .
C9 C 0.10832(17) 0.38098(15) 0.08598(10) 0.0233(4) Uani 1 1 d . . .
H9 H 0.1184 0.3642 0.0391 0.028 Uiso 1 1 calc R . .
C10 C 0.01924(17) 0.35091(15) 0.12060(10) 0.0242(4) Uani 1 1 d . . .
H10 H -0.0329 0.3155 0.0971 0.029 Uiso 1 1 calc R . .
C11 C 0.00650(15) 0.37273(14) 0.18979(10) 0.0202(3) Uani 1 1 d . . .
H11 H -0.0539 0.3506 0.2137 0.024 Uiso 1 1 calc R . .
C12 C 0.08100(13) 0.42679(12) 0.22507(9) 0.0146(3) Uani 1 1 d . . .
C13 C 0.24829(16) 0.47298(14) 0.44529(10) 0.0207(3) Uani 1 1 d . . .
H13A H 0.2392 0.5312 0.4687 0.031 Uiso 1 1 calc R . .
H13B H 0.3161 0.4457 0.4599 0.031 Uiso 1 1 calc R . .
H13C H 0.1895 0.4325 0.4574 0.031 Uiso 1 1 calc R . .
C14 C -0.03559(13) 0.52861(12) 0.32747(9) 0.0156(3) Uani 1 1 d . . .
C15 C -0.04578(14) 0.57486(13) 0.39029(10) 0.0189(3) Uani 1 1 d . . .
H15 H 0.0044 0.5647 0.4266 0.023 Uiso 1 1 calc R . .
C16 C -0.12896(16) 0.63549(14) 0.39971(12) 0.0257(4) Uani 1 1 d . . .
H16 H -0.1371 0.6652 0.4429 0.031 Uiso 1 1 calc R . .
C17 C -0.20003(17) 0.65256(16) 0.34604(14) 0.0321(5) Uani 1 1 d . . .
H17 H -0.2559 0.6951 0.3522 0.039 Uiso 1 1 calc R . .
C18 C -0.19023(16) 0.60831(16) 0.28379(13) 0.0306(5) Uani 1 1 d . . .
H18 H -0.2391 0.6207 0.2471 0.037 Uiso 1 1 calc R . .
C19 C -0.10879(15) 0.54533(14) 0.27434(11) 0.0220(4) Uani 1 1 d . . .
H19 H -0.1033 0.5139 0.2317 0.026 Uiso 1 1 calc R . .
C20 C 0.02196(13) 0.34644(12) 0.35755(9) 0.0139(3) Uani 1 1 d . . .
C21 C 0.03407(15) 0.26008(13) 0.32940(10) 0.0189(3) Uani 1 1 d . . .
H21 H 0.0665 0.2531 0.2856 0.023 Uiso 1 1 calc R . .
C22 C -0.00112(16) 0.18409(13) 0.36520(11) 0.0218(4) Uani 1 1 d . . .
H22 H 0.0063 0.1258 0.3452 0.026 Uiso 1 1 calc R . .
C23 C -0.04698(15) 0.19312(13) 0.42986(10) 0.0205(3) Uani 1 1 d . . .
H23 H -0.0693 0.141 0.4545 0.025 Uiso 1 1 calc R . .
C24 C -0.06006(15) 0.27868(13) 0.45824(9) 0.0194(3) Uani 1 1 d . . .
H24 H -0.0922 0.2853 0.5022 0.023 Uiso 1 1 calc R . .
C25 C -0.02601(14) 0.35477(13) 0.42225(9) 0.0166(3) Uani 1 1 d . . .
H25 H -0.0354 0.4131 0.4418 0.02 Uiso 1 1 calc R . .
C26 C 0.47279(13) 0.63567(11) 0.37303(8) 0.0127(3) Uani 1 1 d . . .
C27 C 0.51475(14) 0.71555(12) 0.34622(9) 0.0155(3) Uani 1 1 d . . .
H27 H 0.514 0.7256 0.2977 0.019 Uiso 1 1 calc R . .
C28 C 0.55766(15) 0.78046(13) 0.39044(10) 0.0200(3) Uani 1 1 d . . .
H28 H 0.5854 0.835 0.3719 0.024 Uiso 1 1 calc R . .
C29 C 0.56045(16) 0.76647(13) 0.46123(10) 0.0211(4) Uani 1 1 d . . .
H29 H 0.5922 0.8102 0.4909 0.025 Uiso 1 1 calc R . .
C30 C 0.51665(16) 0.68826(13) 0.48855(10) 0.0198(3) Uani 1 1 d . . .
H30 H 0.5172 0.6788 0.5371 0.024 Uiso 1 1 calc R . .
C31 C 0.47198(14) 0.62392(12) 0.44481(9) 0.0166(3) Uani 1 1 d . . .
H31 H 0.4404 0.5712 0.4638 0.02 Uiso 1 1 calc R . .
C32 C 0.54105(13) 0.46590(11) 0.32234(9) 0.0129(3) Uani 1 1 d . . .
C33 C 0.55874(14) 0.40882(13) 0.26612(10) 0.0196(3) Uani 1 1 d . . .
H33 H 0.5096 0.4088 0.2284 0.024 Uiso 1 1 calc R . .
C34 C 0.64686(15) 0.35212(14) 0.26439(11) 0.0217(4) Uani 1 1 d . . .
H34 H 0.6583 0.3145 0.2254 0.026 Uiso 1 1 calc R . .
C35 C 0.71833(14) 0.35045(13) 0.31975(11) 0.0203(3) Uani 1 1 d . . .
H35 H 0.7784 0.3113 0.319 0.024 Uiso 1 1 calc R . .
C36 C 0.70148(15) 0.40606(14) 0.37595(10) 0.0218(4) Uani 1 1 d . . .
H36 H 0.7501 0.4048 0.414 0.026 Uiso 1 1 calc R . .
C37 C 0.61407(14) 0.46384(13) 0.37743(9) 0.0171(3) Uani 1 1 d . . .
H37 H 0.6039 0.5022 0.4162 0.021 Uiso 1 1 calc R . .
O1 O 0.23846(10) 0.51453(9) 0.22496(6) 0.0163(2) Uani 1 1 d . . .
P1 P 0.07393(3) 0.44912(3) 0.31758(2) 0.01203(7) Uani 1 1 d . . .
P2 P 0.42389(3) 0.53953(3) 0.32246(2) 0.01074(7) Uani 1 1 d . . .
Rh1 Rh 0.248462(9) 0.493163(8) 0.339061(6) 0.01002(3) Uani 1 1 d . . .
I1 I 0.199932(9) 0.667905(8) 0.350016(7) 0.01961(3) Uani 1 1 d . . .
I2 I 0.304944(9) 0.322975(8) 0.321226(7) 0.01966(3) Uani 1 1 d . . .
Cl1 Cl 0.72890(13) 0.38080(11) 0.07177(9) 0.0527(4) Uani 0.5 1 d PDU A 1
C38 C 0.8048(8) 0.47523(16) 0.0698(6) 0.0523(8) Uani 0.5 1 d PDU A 1
H38A H 0.8362 0.4785 0.0231 0.063 Uiso 0.5 1 calc PR A 1
H38B H 0.8646 0.4657 0.1027 0.063 Uiso 0.5 1 calc PR A 1
Cl2 Cl 0.75322(13) 0.57837(11) 0.08689(10) 0.0464(4) Uani 0.5 1 d PDU A 1
Cl3 Cl 0.5842(6) 0.4824(6) 0.0351(5) 0.069(2) Uani 0.25 1 d PDU B 2
C39 C 0.6635(9) 0.4464(10) 0.0897(7) 0.0523(8) Uani 0.25 1 d PDU B 2
H39A H 0.6497 0.3809 0.0948 0.063 Uiso 0.25 1 calc PR B 2
H39B H 0.645 0.4751 0.1342 0.063 Uiso 0.25 1 calc PR B 2
Cl4 Cl 0.7944(5) 0.4590(6) 0.0796(5) 0.107(2) Uani 0.25 1 d PDU B 2
Cl5 Cl 0.5824(6) 0.4913(5) 0.0256(4) 0.0501(11) Uani 0.25 1 d PDU . 3
C40 C 0.6667(9) 0.4830(9) 0.0823(7) 0.0523(8) Uani 0.25 1 d PDU C 3
H40A H 0.6887 0.4187 0.081 0.063 Uiso 0.25 1 calc PR C 3
H40B H 0.6269 0.4903 0.1258 0.063 Uiso 0.25 1 calc PR C 3
Cl6 Cl 0.7843(6) 0.5423(7) 0.0960(4) 0.122(3) Uani 0.25 1 d PDU C 3
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
Cl Cl 0.1484 0.1585 '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'
I I -0.4742 1.8119 '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_3
C6 C1 C2 116.92(15) .
C6 C1 P2 121.06(12) .
C2 C1 P2 121.86(12) .
C3 C2 C1 121.41(16) .
C3 C2 H2 119.3 .
C1 C2 H2 119.3 .
C4 C3 C2 119.66(17) .
C4 C3 H3 120.2 .
C2 C3 H3 120.2 .
C5 C4 C3 120.09(17) .
C5 C4 H4 120 .
C3 C4 H4 120 .
C4 C5 C6 119.49(16) .
C4 C5 H5 120.3 .
C6 C5 H5 120.3 .
C5 C6 C1 121.71(15) .
C5 C6 O1 121.29(15) .
C1 C6 O1 116.89(14) .
C8 C7 O1 123.16(15) .
C8 C7 C12 121.54(16) .
O1 C7 C12 115.23(15) .
C9 C8 C7 119.17(17) .
C9 C8 H8 120.4 .
C7 C8 H8 120.4 .
C10 C9 C8 120.65(18) .
C10 C9 H9 119.7 .
C8 C9 H9 119.7 .
C9 C10 C11 119.66(18) .
C9 C10 H10 120.2 .
C11 C10 H10 120.2 .
C10 C11 C12 121.25(17) .
C10 C11 H11 119.4 .
C12 C11 H11 119.4 .
C7 C12 C11 117.60(16) .
C7 C12 P1 119.47(13) .
C11 C12 P1 122.81(13) .
Rh1 C13 H13A 109.5 .
Rh1 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
Rh1 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C19 C14 C15 119.17(17) .
C19 C14 P1 121.98(15) .
C15 C14 P1 118.85(13) .
C16 C15 C14 120.29(19) .
C16 C15 H15 119.9 .
C14 C15 H15 119.9 .
C17 C16 C15 119.9(2) .
C17 C16 H16 120.1 .
C15 C16 H16 120.1 .
C18 C17 C16 120.41(19) .
C18 C17 H17 119.8 .
C16 C17 H17 119.8 .
C17 C18 C19 120.3(2) .
C17 C18 H18 119.9 .
C19 C18 H18 119.9 .
C14 C19 C18 120.0(2) .
C14 C19 H19 120 .
C18 C19 H19 120 .
C21 C20 C25 118.59(16) .
C21 C20 P1 123.59(13) .
C25 C20 P1 117.66(13) .
C22 C21 C20 120.41(17) .
C22 C21 H21 119.8 .
C20 C21 H21 119.8 .
C23 C22 C21 120.45(18) .
C23 C22 H22 119.8 .
C21 C22 H22 119.8 .
C22 C23 C24 119.69(17) .
C22 C23 H23 120.2 .
C24 C23 H23 120.2 .
C23 C24 C25 119.96(17) .
C23 C24 H24 120 .
C25 C24 H24 120 .
C24 C25 C20 120.88(17) .
C24 C25 H25 119.6 .
C20 C25 H25 119.6 .
C27 C26 C31 118.73(15) .
C27 C26 P2 125.81(13) .
C31 C26 P2 115.37(13) .
C28 C27 C26 120.05(16) .
C28 C27 H27 120 .
C26 C27 H27 120 .
C29 C28 C27 120.72(18) .
C29 C28 H28 119.6 .
C27 C28 H28 119.6 .
C28 C29 C30 119.69(17) .
C28 C29 H29 120.2 .
C30 C29 H29 120.2 .
C29 C30 C31 119.89(17) .
C29 C30 H30 120.1 .
C31 C30 H30 120.1 .
C30 C31 C26 120.84(17) .
C30 C31 H31 119.6 .
C26 C31 H31 119.6 .
C33 C32 C37 118.17(16) .
C33 C32 P2 119.68(13) .
C37 C32 P2 122.14(13) .
C34 C33 C32 121.14(17) .
C34 C33 H33 119.4 .
C32 C33 H33 119.4 .
C33 C34 C35 119.97(18) .
C33 C34 H34 120 .
C35 C34 H34 120 .
C36 C35 C34 119.54(17) .
C36 C35 H35 120.2 .
C34 C35 H35 120.2 .
C35 C36 C37 120.62(17) .
C35 C36 H36 119.7 .
C37 C36 H36 119.7 .
C36 C37 C32 120.54(17) .
C36 C37 H37 119.7 .
C32 C37 H37 119.7 .
C7 O1 C6 123.67(13) .
C7 O1 Rh1 117.24(10) .
C6 O1 Rh1 117.39(10) .
C14 P1 C12 105.38(8) .
C14 P1 C20 102.61(8) .
C12 P1 C20 106.65(8) .
C14 P1 Rh1 120.86(6) .
C12 P1 Rh1 99.83(5) .
C20 P1 Rh1 119.90(6) .
C26 P2 C1 107.89(8) .
C26 P2 C32 101.44(7) .
C1 P2 C32 102.34(8) .
C26 P2 Rh1 117.83(5) .
C1 P2 Rh1 99.43(5) .
C32 P2 Rh1 125.83(6) .
C13 Rh1 O1 176.71(6) .
C13 Rh1 P1 97.22(6) .
O1 Rh1 P1 79.62(3) .
C13 Rh1 P2 100.95(6) .
O1 Rh1 P2 82.24(3) .
P1 Rh1 P2 161.742(16) .
C13 Rh1 I2 89.75(6) .
O1 Rh1 I2 91.02(4) .
P1 Rh1 I2 87.904(14) .
P2 Rh1 I2 90.392(13) .
C13 Rh1 I1 93.32(6) .
O1 Rh1 I1 86.05(4) .
P1 Rh1 I1 94.027(13) .
P2 Rh1 I1 86.729(13) .
I2 Rh1 I1 176.141(6) .
Cl1 C38 Cl2 121.5(6) .
Cl1 C38 H38A 106.9 .
Cl2 C38 H38A 106.9 .
Cl1 C38 H38B 106.9 .
Cl2 C38 H38B 106.9 .
H38A C38 H38B 106.7 .
Cl3 C39 Cl4 120.8(9) .
Cl3 C39 H39A 107.1 .
Cl4 C39 H39A 107.1 .
Cl3 C39 H39B 107.1 .
Cl4 C39 H39B 107.1 .
H39A C39 H39B 106.8 .
C40 Cl5 Cl5 159.3(8) 3_665
Cl5 C40 Cl6 130.8(9) .
Cl5 C40 H40A 104.6 .
Cl6 C40 H40A 104.6 .
Cl5 C40 H40B 104.6 .
Cl6 C40 H40B 104.6 .
H40A C40 H40B 105.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.398(2) .
C1 C2 1.400(2) .
C1 P2 1.8285(17) .
C2 C3 1.388(3) .
C2 H2 0.95 .
C3 C4 1.387(3) .
C3 H3 0.95 .
C4 C5 1.382(3) .
C4 H4 0.95 .
C5 C6 1.385(2) .
C5 H5 0.95 .
C6 O1 1.399(2) .
C7 C8 1.389(2) .
C7 O1 1.399(2) .
C7 C12 1.401(2) .
C8 C9 1.389(3) .
C8 H8 0.95 .
C9 C10 1.383(3) .
C9 H9 0.95 .
C10 C11 1.388(3) .
C10 H10 0.95 .
C11 C12 1.402(2) .
C11 H11 0.95 .
C12 P1 1.8232(18) .
C13 Rh1 2.0769(19) .
C13 H13A 0.98 .
C13 H13B 0.98 .
C13 H13C 0.98 .
C14 C19 1.393(3) .
C14 C15 1.402(3) .
C14 P1 1.8202(18) .
C15 C16 1.390(3) .
C15 H15 0.95 .
C16 C17 1.385(3) .
C16 H16 0.95 .
C17 C18 1.377(4) .
C17 H17 0.95 .
C18 C19 1.396(3) .
C18 H18 0.95 .
C19 H19 0.95 .
C20 C21 1.397(3) .
C20 C25 1.401(2) .
C20 P1 1.8275(17) .
C21 C22 1.394(3) .
C21 H21 0.95 .
C22 C23 1.389(3) .
C22 H22 0.95 .
C23 C24 1.390(3) .
C23 H23 0.95 .
C24 C25 1.393(3) .
C24 H24 0.95 .
C25 H25 0.95 .
C26 C27 1.395(2) .
C26 C31 1.400(2) .
C26 P2 1.8279(17) .
C27 C28 1.390(2) .
C27 H27 0.95 .
C28 C29 1.385(3) .
C28 H28 0.95 .
C29 C30 1.387(3) .
C29 H29 0.95 .
C30 C31 1.387(3) .
C30 H30 0.95 .
C31 H31 0.95 .
C32 C33 1.397(2) .
C32 C37 1.398(2) .
C32 P2 1.8296(17) .
C33 C34 1.389(3) .
C33 H33 0.95 .
C34 C35 1.390(3) .
C34 H34 0.95 .
C35 C36 1.381(3) .
C35 H35 0.95 .
C36 C37 1.391(3) .
C36 H36 0.95 .
C37 H37 0.95 .
O1 Rh1 2.2323(13) .
P1 Rh1 2.3184(6) .
P2 Rh1 2.3318(6) .
Rh1 I2 2.6379(4) .
Rh1 I1 2.6633(4) .
Cl1 C38 1.691(5) .
C38 Cl2 1.691(5) .
C38 H38A 0.99 .
C38 H38B 0.99 .
Cl3 C39 1.538(11) .
C39 Cl4 1.667(11) .
C39 H39A 0.99 .
C39 H39B 0.99 .
Cl5 C40 1.520(11) .
Cl5 Cl5 2.298(14) 3_665
C40 Cl6 1.736(12) .
C40 H40A 0.99 .
C40 H40B 0.99 .
