#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:01:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178545 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/52/4065297.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_4065297
loop_
_publ_author_name
'Williams, Gary L.'
'Parks, Christopher M.'
'Smith, C. Robert'
'Adams, Harry'
'Haynes, Anthony'
'Meijer, Anthony J. H. M.'
'Sunley, Glenn J.'
'Gaemers, Sander'
_publ_section_title
;
 Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6166
_journal_paper_doi               10.1021/om2006968
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C43 H39 B Cl4 F4 I O2 P2 Rh'
_chemical_formula_weight         1108.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.952(2)
_cell_angle_beta                 113.580(2)
_cell_angle_gamma                101.357(2)
_cell_formula_units_Z            2
_cell_length_a                   13.4161(17)
_cell_length_b                   13.9972(18)
_cell_length_c                   14.5737(19)
_cell_measurement_reflns_used    4652
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.373
_cell_measurement_theta_min      4.694
_cell_volume                     2197.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker SMART1000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_sigmaI/netI    0.0985
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25172
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.461
_exptl_absorpt_correction_T_max  0.9714
_exptl_absorpt_correction_T_min  0.7588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            ORANGE
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.398
_refine_diff_density_min         -2.263
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         9819
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0718P)²+9.2400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1460
_refine_ls_wR_factor_ref         0.1666
_reflns_number_gt                6436
_reflns_number_total             9819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2006968_si_002.cif
_cod_data_source_block           iah169m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065297
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.05614(5) 0.52156(4) 0.89529(4) 0.01326(14) Uani 1 1 d . . .
P1 P 0.05593(16) 0.66143(15) 0.84183(15) 0.0149(4) Uani 1 1 d . . .
P2 P 0.21736(15) 0.49198(15) 0.88736(15) 0.0148(4) Uani 1 1 d . . .
I1 I 0.08827(4) 0.42239(4) 1.03018(4) 0.02223(15) Uani 1 1 d . . .
O1 O -0.0465(5) 0.3951(4) 0.6634(4) 0.0311(13) Uani 1 1 d . . .
C1 C 0.3347(6) 0.5754(6) 1.0338(6) 0.0158(14) Uani 1 1 d . . .
C2 C 0.3932(6) 0.5327(6) 1.1042(6) 0.0198(16) Uani 1 1 d . . .
H2A H 0.3860 0.4604 1.0739 0.024 Uiso 1 1 calc R . .
C3 C 0.4621(6) 0.5984(6) 1.2198(6) 0.0216(16) Uani 1 1 d . . .
H3A H 0.5021 0.5701 1.2659 0.026 Uiso 1 1 calc R . .
C4 C 0.4713(6) 0.7049(6) 1.2661(6) 0.0203(16) Uani 1 1 d . . .
H4A H 0.5157 0.7469 1.3434 0.024 Uiso 1 1 calc R . .
C5 C 0.4147(6) 0.7508(6) 1.1984(6) 0.0165(15) Uani 1 1 d . . .
C6 C 0.4210(6) 0.8680(6) 1.2426(6) 0.0186(15) Uani 1 1 d . . .
C7 C 0.2988(6) 0.8646(6) 1.1688(6) 0.0161(15) Uani 1 1 d . . .
C8 C 0.2422(6) 0.9283(6) 1.2044(6) 0.0208(16) Uani 1 1 d . . .
H8A H 0.2789 0.9782 1.2795 0.025 Uiso 1 1 calc R . .
C9 C 0.1318(6) 0.9193(6) 1.1303(6) 0.0218(16) Uani 1 1 d . . .
H9A H 0.0968 0.9643 1.1564 0.026 Uiso 1 1 calc R . .
C10 C 0.0733(6) 0.8449(6) 1.0189(6) 0.0202(16) Uani 1 1 d . . .
H10A H -0.0008 0.8392 0.9703 0.024 Uiso 1 1 calc R . .
C11 C 0.1268(6) 0.7774(6) 0.9792(6) 0.0163(14) Uani 1 1 d . . .
C12 C 0.2382(6) 0.7920(6) 1.0562(6) 0.0171(15) Uani 1 1 d . . .
O2 O 0.2875(4) 0.7240(4) 1.0124(4) 0.0160(10) Uani 1 1 d . . .
C14 C 0.3491(6) 0.6836(5) 1.0839(5) 0.0127(13) Uani 1 1 d . . .
C15 C 0.2155(6) 0.3545(6) 0.8550(6) 0.0171(15) Uani 1 1 d . . .
C16 C 0.1146(6) 0.2626(6) 0.8093(6) 0.0192(15) Uani 1 1 d . . .
H16A H 0.0445 0.2712 0.7988 0.023 Uiso 1 1 calc R . .
C17 C 0.1181(6) 0.1599(6) 0.7799(6) 0.0225(16) Uani 1 1 d . . .
H17A H 0.0499 0.0996 0.7479 0.027 Uiso 1 1 calc R . .
C18 C 0.2218(7) 0.1457(6) 0.7975(6) 0.0255(17) Uani 1 1 d . . .
H18A H 0.2244 0.0765 0.7798 0.031 Uiso 1 1 calc R . .
C19 C 0.3214(7) 0.2348(6) 0.8413(6) 0.0244(17) Uani 1 1 d . . .
H19A H 0.3916 0.2255 0.8533 0.029 Uiso 1 1 calc R . .
C20 C 0.3182(6) 0.3366(6) 0.8674(6) 0.0207(16) Uani 1 1 d . . .
H20A H 0.3857 0.3953 0.8941 0.025 Uiso 1 1 calc R . .
C21 C 0.2676(6) 0.5194(6) 0.7961(6) 0.0164(14) Uani 1 1 d . . .
C22 C 0.3659(7) 0.6113(6) 0.8358(6) 0.0224(16) Uani 1 1 d . . .
H22A H 0.4060 0.6637 0.9102 0.027 Uiso 1 1 calc R . .
C23 C 0.4022(8) 0.6222(7) 0.7612(7) 0.0303(19) Uani 1 1 d . . .
H23A H 0.4678 0.6823 0.7867 0.036 Uiso 1 1 calc R . .
C24 C 0.3433(8) 0.5460(7) 0.6510(7) 0.031(2) Uani 1 1 d . . .
H24A H 0.3679 0.5552 0.6021 0.037 Uiso 1 1 calc R . .
C25 C 0.2478(7) 0.4562(7) 0.6137(6) 0.0274(18) Uani 1 1 d . . .
H25A H 0.2086 0.4039 0.5392 0.033 Uiso 1 1 calc R . .
C26 C 0.2092(7) 0.4420(6) 0.6840(6) 0.0245(17) Uani 1 1 d . . .
H26A H 0.1440 0.3808 0.6570 0.029 Uiso 1 1 calc R . .
C27 C 0.1342(7) 0.6998(6) 0.7739(6) 0.0196(16) Uani 1 1 d . . .
C28 C 0.2241(7) 0.7973(6) 0.8237(6) 0.0218(16) Uani 1 1 d . . .
H28A H 0.2530 0.8439 0.8986 0.026 Uiso 1 1 calc R . .
C29 C 0.2736(7) 0.8293(7) 0.7661(7) 0.0307(19) Uani 1 1 d . . .
H29A H 0.3350 0.8963 0.8018 0.037 Uiso 1 1 calc R . .
C30 C 0.2308(8) 0.7607(7) 0.6562(7) 0.034(2) Uani 1 1 d . . .
H30A H 0.2630 0.7818 0.6167 0.041 Uiso 1 1 calc R . .
C31 C 0.1405(9) 0.6607(7) 0.6030(7) 0.041(2) Uani 1 1 d . . .
H31A H 0.1130 0.6141 0.5285 0.049 Uiso 1 1 calc R . .
C32 C 0.0912(8) 0.6303(7) 0.6616(7) 0.033(2) Uani 1 1 d . . .
H32A H 0.0294 0.5635 0.6260 0.039 Uiso 1 1 calc R . .
C33 C -0.0867(6) 0.6667(6) 0.7598(6) 0.0181(15) Uani 1 1 d . . .
C34 C -0.0878(7) 0.7603(6) 0.7457(6) 0.0239(17) Uani 1 1 d . . .
H34A H -0.0176 0.8194 0.7808 0.029 Uiso 1 1 calc R . .
C35 C -0.1920(8) 0.7664(7) 0.6801(6) 0.0306(19) Uani 1 1 d . . .
H35A H -0.1916 0.8289 0.6704 0.037 Uiso 1 1 calc R . .
C36 C -0.2973(7) 0.6793(7) 0.6285(6) 0.0281(18) Uani 1 1 d . . .
H36A H -0.3678 0.6835 0.5851 0.034 Uiso 1 1 calc R . .
C37 C -0.2968(7) 0.5865(6) 0.6423(6) 0.0272(18) Uani 1 1 d . . .
H37A H -0.3672 0.5278 0.6077 0.033 Uiso 1 1 calc R . .
C38 C -0.1919(7) 0.5799(6) 0.7076(6) 0.0220(16) Uani 1 1 d . . .
H38A H -0.1924 0.5169 0.7162 0.026 Uiso 1 1 calc R . .
C39 C 0.4562(6) 0.9182(6) 1.3656(6) 0.0204(16) Uani 1 1 d . . .
H39A H 0.4016 0.8744 1.3767 0.031 Uiso 1 1 calc R . .
H39B H 0.4558 0.9906 1.3883 0.031 Uiso 1 1 calc R . .
H39C H 0.5336 0.9214 1.4096 0.031 Uiso 1 1 calc R . .
C40 C 0.5101(6) 0.9398(6) 1.2257(6) 0.0205(16) Uani 1 1 d . . .
H40A H 0.5876 0.9439 1.2707 0.031 Uiso 1 1 calc R . .
H40B H 0.5087 1.0118 1.2477 0.031 Uiso 1 1 calc R . .
H40C H 0.4890 0.9080 1.1482 0.031 Uiso 1 1 calc R . .
C41 C -0.0594(6) 0.4017(6) 0.7392(6) 0.0199(16) Uani 1 1 d . . .
C42 C -0.1613(6) 0.3250(6) 0.7338(7) 0.0281(18) Uani 1 1 d . . .
H42A H -0.2136 0.2699 0.6580 0.042 Uiso 1 1 calc R . .
H42B H -0.2030 0.3656 0.7590 0.042 Uiso 1 1 calc R . .
H42C H -0.1319 0.2912 0.7810 0.042 Uiso 1 1 calc R . .
B1 B 0.5385(7) 0.2296(7) 0.4510(7) 0.0207(18) Uani 1 1 d . . .
F1 F 0.6198(4) 0.1813(4) 0.4740(4) 0.0286(10) Uani 1 1 d . . .
F2 F 0.4362(4) 0.1696(4) 0.4422(4) 0.0276(10) Uani 1 1 d . . .
F3 F 0.5120(5) 0.2326(5) 0.3499(5) 0.0555(17) Uani 1 1 d . . .
F4 F 0.5842(5) 0.3332(4) 0.5345(5) 0.0588(17) Uani 1 1 d . . .
C1S C 0.3126(10) 0.1145(12) 0.0947(11) 0.102(6) Uani 1 1 d . . .
H1SA H 0.3603 0.1382 0.1744 0.123 Uiso 1 1 calc R . .
H1SB H 0.2479 0.0469 0.0643 0.123 Uiso 1 1 calc R . .
Cl1 Cl 0.3972(3) 0.0900(2) 0.0315(2) 0.0662(9) Uani 1 1 d . . .
Cl2 Cl 0.2537(3) 0.2177(4) 0.0738(3) 0.0815(11) Uani 1 1 d . . .
C2S C 0.8795(14) 0.8760(15) 0.4761(14) 0.036(3) Uiso 0.476(15) 1 d PDU A 1
H2SC H 0.8207 0.8055 0.4163 0.043 Uiso 0.476(15) 1 calc PR A 1
H2SD H 0.9141 0.9104 0.4422 0.043 Uiso 0.476(15) 1 calc PR A 1
C2S' C 0.9155(10) 0.9414(11) 0.5489(13) 0.025(3) Uiso 0.524(15) 1 d PDU A 2
H2SA H 0.9619 1.0001 0.6247 0.030 Uiso 0.524(15) 1 calc PR A 2
H2SB H 0.9416 0.9682 0.5057 0.030 Uiso 0.524(15) 1 calc PR A 2
Cl3 Cl 0.9834(5) 0.8503(4) 0.5604(4) 0.1273(18) Uani 1 1 d D . .
Cl4 Cl 0.8016(4) 0.9529(4) 0.5142(4) 0.1185(16) Uani 1 1 d D . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C41 Rh1 P2 93.4(2) . .
C41 Rh1 P1 94.6(2) . .
P2 Rh1 P1 99.78(7) . .
C41 Rh1 I1 101.7(2) . 2_567
P2 Rh1 I1 163.01(5) . 2_567
P1 Rh1 I1 86.83(5) . 2_567
C41 Rh1 I1 105.26(19) . .
P2 Rh1 I1 86.00(5) . .
P1 Rh1 I1 159.01(5) . .
I1 Rh1 I1 82.59(2) 2_567 .
C11 P1 C27 104.7(3) . .
C11 P1 C33 106.1(3) . .
C27 P1 C33 100.7(3) . .
C11 P1 Rh1 99.3(2) . .
C27 P1 Rh1 126.1(2) . .
C33 P1 Rh1 117.8(2) . .
C15 P2 C21 99.2(3) . .
C15 P2 C1 104.9(3) . .
C21 P2 C1 109.3(3) . .
C15 P2 Rh1 116.6(2) . .
C21 P2 Rh1 124.0(2) . .
C1 P2 Rh1 101.7(2) . .
Rh1 I1 Rh1 97.41(2) 2_567 .
C14 C1 C2 117.2(6) . .
C14 C1 P2 117.3(5) . .
C2 C1 P2 124.1(6) . .
C3 C2 C1 120.1(7) . .
C3 C2 H2A 119.9 . .
C1 C2 H2A 119.9 . .
C4 C3 C2 120.5(7) . .
C4 C3 H3A 119.7 . .
C2 C3 H3A 119.7 . .
C3 C4 C5 121.1(7) . .
C3 C4 H4A 119.5 . .
C5 C4 H4A 119.5 . .
C14 C5 C4 116.6(6) . .
C14 C5 C6 118.9(6) . .
C4 C5 C6 124.5(6) . .
C39 C6 C5 112.8(6) . .
C39 C6 C7 111.4(6) . .
C5 C6 C7 106.4(6) . .
C39 C6 C40 109.0(6) . .
C5 C6 C40 109.9(6) . .
C7 C6 C40 107.2(5) . .
C12 C7 C8 115.7(6) . .
C12 C7 C6 118.2(6) . .
C8 C7 C6 126.1(6) . .
C7 C8 C9 121.5(7) . .
C7 C8 H8A 119.3 . .
C9 C8 H8A 119.3 . .
C10 C9 C8 121.1(7) . .
C10 C9 H9A 119.5 . .
C8 C9 H9A 119.5 . .
C9 C10 C11 119.4(7) . .
C9 C10 H10A 120.3 . .
C11 C10 H10A 120.3 . .
C12 C11 C10 116.9(6) . .
C12 C11 P1 116.8(5) . .
C10 C11 P1 125.7(5) . .
C7 C12 C11 125.3(7) . .
C7 C12 O2 120.1(6) . .
C11 C12 O2 114.6(6) . .
C12 O2 C14 113.8(5) . .
C1 C14 C5 124.4(6) . .
C1 C14 O2 116.3(6) . .
C5 C14 O2 119.2(6) . .
C20 C15 C16 117.1(7) . .
C20 C15 P2 118.6(5) . .
C16 C15 P2 124.0(5) . .
C17 C16 C15 120.9(7) . .
C17 C16 H16A 119.6 . .
C15 C16 H16A 119.6 . .
C16 C17 C18 120.5(7) . .
C16 C17 H17A 119.8 . .
C18 C17 H17A 119.8 . .
C19 C18 C17 119.5(7) . .
C19 C18 H18A 120.3 . .
C17 C18 H18A 120.3 . .
C20 C19 C18 120.6(7) . .
C20 C19 H19A 119.7 . .
C18 C19 H19A 119.7 . .
C19 C20 C15 121.4(7) . .
C19 C20 H20A 119.3 . .
C15 C20 H20A 119.3 . .
C26 C21 C22 119.4(6) . .
C26 C21 P2 118.0(5) . .
C22 C21 P2 122.5(6) . .
C23 C22 C21 118.5(7) . .
C23 C22 H22A 120.8 . .
C21 C22 H22A 120.8 . .
C24 C23 C22 121.4(8) . .
C24 C23 H23A 119.3 . .
C22 C23 H23A 119.3 . .
C25 C24 C23 119.4(7) . .
C25 C24 H24A 120.3 . .
C23 C24 H24A 120.3 . .
C26 C25 C24 121.2(7) . .
C26 C25 H25A 119.4 . .
C24 C25 H25A 119.4 . .
C25 C26 C21 120.1(7) . .
C25 C26 H26A 120.0 . .
C21 C26 H26A 120.0 . .
C28 C27 C32 118.8(7) . .
C28 C27 P1 123.1(6) . .
C32 C27 P1 117.8(6) . .
C27 C28 C29 121.9(7) . .
C27 C28 H28A 119.1 . .
C29 C28 H28A 119.1 . .
C30 C29 C28 118.9(8) . .
C30 C29 H29A 120.6 . .
C28 C29 H29A 120.6 . .
C29 C30 C31 121.0(7) . .
C29 C30 H30A 119.5 . .
C31 C30 H30A 119.5 . .
C30 C31 C32 119.4(8) . .
C30 C31 H31A 120.3 . .
C32 C31 H31A 120.3 . .
C31 C32 C27 120.0(8) . .
C31 C32 H32A 120.0 . .
C27 C32 H32A 120.0 . .
C38 C33 C34 118.9(7) . .
C38 C33 P1 122.7(5) . .
C34 C33 P1 118.3(6) . .
C35 C34 C33 120.7(7) . .
C35 C34 H34A 119.7 . .
C33 C34 H34A 119.7 . .
C34 C35 C36 120.1(7) . .
C34 C35 H35A 119.9 . .
C36 C35 H35A 119.9 . .
C37 C36 C35 119.5(7) . .
C37 C36 H36A 120.3 . .
C35 C36 H36A 120.3 . .
C36 C37 C38 120.5(8) . .
C36 C37 H37A 119.7 . .
C38 C37 H37A 119.7 . .
C33 C38 C37 120.3(7) . .
C33 C38 H38A 119.8 . .
C37 C38 H38A 119.8 . .
C6 C39 H39A 109.5 . .
C6 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C6 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C6 C40 H40A 109.5 . .
C6 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C6 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O1 C41 C42 125.5(7) . .
O1 C41 Rh1 121.6(6) . .
C42 C41 Rh1 112.9(5) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
F4 B1 F1 109.8(7) . .
F4 B1 F3 109.8(7) . .
F1 B1 F3 108.3(7) . .
F4 B1 F2 109.3(7) . .
F1 B1 F2 110.4(6) . .
F3 B1 F2 109.1(6) . .
Cl1 C1S Cl2 112.9(5) . .
Cl1 C1S H1SA 109.0 . .
Cl2 C1S H1SA 109.0 . .
Cl1 C1S H1SB 109.0 . .
Cl2 C1S H1SB 109.0 . .
H1SA C1S H1SB 107.8 . .
Cl3 C2S Cl4 126.0(10) . .
Cl3 C2S H2SC 105.8 . .
Cl4 C2S H2SC 105.8 . .
Cl3 C2S H2SD 105.8 . .
Cl4 C2S H2SD 105.8 . .
H2SC C2S H2SD 106.2 . .
Cl4 C2S' Cl3 143.5(10) . .
Cl4 C2S' H2SA 101.0 . .
Cl3 C2S' H2SA 101.0 . .
Cl4 C2S' H2SB 101.0 . .
Cl3 C2S' H2SB 101.0 . .
H2SA C2S' H2SB 104.5 . .
C2S Cl3 C2S' 34.2(7) . .
C2S' Cl4 C2S 34.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C41 2.017(8) .
Rh1 P2 2.3204(19) .
Rh1 P1 2.3304(18) .
Rh1 I1 2.6977(7) 2_567
Rh1 I1 2.7033(7) .
P1 C11 1.818(7) .
P1 C27 1.824(7) .
P1 C33 1.838(7) .
P2 C15 1.819(7) .
P2 C21 1.821(7) .
P2 C1 1.834(7) .
I1 Rh1 2.6977(8) 2_567
O1 C41 1.163(9) .
C1 C14 1.385(10) .
C1 C2 1.402(10) .
C2 C3 1.397(10) .
C2 H2A 0.9300 .
C3 C4 1.378(10) .
C3 H3A 0.9300 .
C4 C5 1.403(10) .
C4 H4A 0.9300 .
C5 C14 1.387(9) .
C5 C6 1.526(10) .
C6 C39 1.518(10) .
C6 C7 1.540(10) .
C6 C40 1.557(9) .
C7 C12 1.382(10) .
C7 C8 1.386(10) .
C8 C9 1.391(10) .
C8 H8A 0.9300 .
C9 C10 1.378(10) .
C9 H9A 0.9300 .
C10 C11 1.409(10) .
C10 H10A 0.9300 .
C11 C12 1.386(10) .
C12 O2 1.395(8) .
O2 C14 1.402(8) .
C15 C20 1.400(10) .
C15 C16 1.402(10) .
C16 C17 1.377(10) .
C16 H16A 0.9300 .
C17 C18 1.377(11) .
C17 H17A 0.9300 .
C18 C19 1.376(11) .
C18 H18A 0.9300 .
C19 C20 1.365(10) .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 C26 1.396(10) .
C21 C22 1.402(10) .
C22 C23 1.396(10) .
C22 H22A 0.9300 .
C23 C24 1.371(11) .
C23 H23A 0.9300 .
C24 C25 1.372(11) .
C24 H24A 0.9300 .
C25 C26 1.369(10) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.361(10) .
C27 C32 1.396(11) .
C28 C29 1.385(10) .
C28 H28A 0.9300 .
C29 C30 1.366(12) .
C29 H29A 0.9300 .
C30 C31 1.380(12) .
C30 H30A 0.9300 .
C31 C32 1.388(11) .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
C33 C38 1.383(10) .
C33 C34 1.393(10) .
C34 C35 1.381(11) .
C34 H34A 0.9300 .
C35 C36 1.387(12) .
C35 H35A 0.9300 .
C36 C37 1.379(11) .
C36 H36A 0.9300 .
C37 C38 1.389(10) .
C37 H37A 0.9300 .
C38 H38A 0.9300 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.519(10) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
B1 F4 1.366(10) .
B1 F1 1.380(9) .
B1 F3 1.388(10) .
B1 F2 1.393(9) .
C1S Cl1 1.743(16) .
C1S Cl2 1.829(14) .
C1S H1SA 0.9700 .
C1S H1SB 0.9700 .
C2S Cl3 1.642(12) .
C2S Cl4 1.754(12) .
C2S H2SC 0.9700 .
C2S H2SD 0.9700 .
C2S' Cl4 1.465(10) .
C2S' Cl3 1.719(10) .
C2S' H2SA 0.9700 .
C2S' H2SB 0.9700 .
