#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:17:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178601 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/12/4071200.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_4071200
loop_
_publ_author_name
'Salem, Hiyam'
'Shimon, Linda J. W.'
'Leitus, Gregory'
'Weiner, Lev'
'Milstein, David'
_publ_section_title
;
 B−C Bond Cleavage of BArFAnion Upon Oxidation of Rhodium(I) with
 AgBArF. Phosphinite Rhodium(I), Rhodium(II), and Rhodium(III) Pincer
 Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2293
_journal_paper_doi               10.1021/om800034t
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C33 H48 F6 O3 P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C65 H60 B F30 O3 P2 Rh'
_chemical_formula_weight         1634.79
_chemical_name_common            'Complex 8'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.16(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.190(3)
_cell_length_b                   19.765(4)
_cell_length_c                   13.373(3)
_cell_measurement_reflns_used    4807
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      23.26
_cell_measurement_theta_min      1.0
_cell_volume                     3459.2(13)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package (Bruker Nonius)'
_computing_data_reduction        HKL
_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      120(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega 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  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5018
_diffrn_reflns_theta_full        23.24
_diffrn_reflns_theta_max         23.24
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.419
_exptl_absorpt_correction_T_max  0.8846
_exptl_absorpt_correction_T_min  0.8504
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         5018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0497
_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)+(0.0000P)²+9.2892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                4347
_reflns_number_total             5018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800034t-file001.cif
_cod_data_source_block           m629a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P21/m
_cod_database_code               4071200
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.11508(3) 0.2500 0.38234(3) 0.02144(14) Uani 1 2 d S . .
P1 P 0.08818(8) 0.13254(5) 0.39249(8) 0.0252(3) Uani 1 1 d . . .
O1 O 0.0011(2) 0.12810(13) 0.4705(2) 0.0276(6) Uani 1 1 d . . .
O2 O 0.2130(3) 0.2500 0.2620(3) 0.0385(11) Uani 1 2 d S . .
C1 C -0.0367(3) 0.1900(2) 0.5011(3) 0.0232(9) Uani 1 1 d . . .
C2 C -0.1094(3) 0.1886(2) 0.5675(3) 0.0291(9) Uani 1 1 d . . .
H2 H -0.1346 0.1469 0.5897 0.035 Uiso 1 1 calc R . .
C3 C -0.1446(4) 0.2500 0.6008(4) 0.0288(14) Uani 1 2 d S . .
H3 H -0.1936 0.2500 0.6472 0.035 Uiso 1 2 calc SR . .
C6 C 0.0017(4) 0.2500 0.4658(4) 0.0193(12) Uani 1 2 d S . .
C7 C 0.1876(3) 0.0713(2) 0.4481(3) 0.0310(10) Uani 1 1 d . . .
C8 C 0.2101(4) 0.0837(2) 0.5627(3) 0.0388(11) Uani 1 1 d . . .
H8A H 0.2533 0.0471 0.5938 0.058 Uiso 1 1 calc R . .
H8B H 0.1457 0.0847 0.5921 0.058 Uiso 1 1 calc R . .
H8C H 0.2456 0.1270 0.5749 0.058 Uiso 1 1 calc R . .
C9 C 0.1540(4) -0.0030(2) 0.4327(4) 0.0416(12) Uani 1 1 d . . .
H9A H 0.1430 -0.0132 0.3605 0.062 Uiso 1 1 calc R . .
H9B H 0.0903 -0.0102 0.4619 0.062 Uiso 1 1 calc R . .
H9C H 0.2073 -0.0327 0.4659 0.062 Uiso 1 1 calc R . .
C10 C 0.2848(4) 0.0832(2) 0.3985(4) 0.0428(12) Uani 1 1 d . . .
H10A H 0.3036 0.1311 0.4040 0.064 Uiso 1 1 calc R . .
H10B H 0.2724 0.0704 0.3272 0.064 Uiso 1 1 calc R . .
H10C H 0.3406 0.0557 0.4325 0.064 Uiso 1 1 calc R . .
C11 C 0.0172(3) 0.0995(2) 0.2723(3) 0.0320(10) Uani 1 1 d . . .
C12 C 0.0925(4) 0.0817(2) 0.1969(3) 0.0432(12) Uani 1 1 d . . .
H12A H 0.0543 0.0725 0.1307 0.065 Uiso 1 1 calc R . .
H12B H 0.1320 0.0416 0.2206 0.065 Uiso 1 1 calc R . .
H12C H 0.1390 0.1199 0.1915 0.065 Uiso 1 1 calc R . .
C13 C -0.0537(4) 0.0396(2) 0.2875(4) 0.0420(12) Uani 1 1 d . . .
H13A H -0.0987 0.0516 0.3378 0.063 Uiso 1 1 calc R . .
H13B H -0.0126 0.0001 0.3108 0.063 Uiso 1 1 calc R . .
H13C H -0.0952 0.0289 0.2234 0.063 Uiso 1 1 calc R . .
C14 C -0.0491(4) 0.1594(2) 0.2300(4) 0.0443(12) Uani 1 1 d . . .
H14A H -0.0913 0.1455 0.1678 0.067 Uiso 1 1 calc R . .
H14B H -0.0049 0.1971 0.2154 0.067 Uiso 1 1 calc R . .
H14C H -0.0934 0.1738 0.2797 0.067 Uiso 1 1 calc R . .
C15 C 0.2135(4) 0.2500 0.5089(4) 0.0225(12) Uani 1 2 d S . .
C16 C 0.1899(4) 0.2500 0.6088(4) 0.0243(13) Uani 1 2 d S . .
H16 H 0.1205 0.2500 0.6210 0.029 Uiso 1 2 calc SR . .
C17 C 0.2668(4) 0.2500 0.6892(4) 0.0257(13) Uani 1 2 d S . .
C18 C 0.3695(5) 0.2500 0.6745(5) 0.0351(15) Uani 1 2 d S . .
H18 H 0.4219 0.2500 0.7300 0.042 Uiso 1 2 calc SR . .
C19 C 0.3927(4) 0.2500 0.5764(5) 0.0337(15) Uani 1 2 d S . .
C20 C 0.3154(5) 0.2500 0.4952(4) 0.0301(14) Uani 1 2 d S . .
H20 H 0.3334 0.2500 0.4286 0.036 Uiso 1 2 calc SR . .
C21 C 0.4994(6) 0.2500 0.5505(6) 0.060(2) Uani 1 2 d S . .
C22 C 0.2372(5) 0.2500 0.7924(5) 0.0358(15) Uani 1 2 d S . .
C23 C 0.2668(5) 0.2500 0.1941(5) 0.0387(16) Uani 1 2 d S . .
C24 C 0.3786(6) 0.2500 0.2186(7) 0.085(3) Uani 1 2 d S . .
H24A H 0.4029 0.2966 0.2296 0.128 Uiso 0.50 1 calc PR . .
H24B H 0.4097 0.2300 0.1627 0.128 Uiso 0.50 1 calc PR . .
H24C H 0.3978 0.2234 0.2799 0.128 Uiso 0.50 1 calc PR . .
C25 C 0.2233(7) 0.2500 0.0866(5) 0.061(2) Uani 1 2 d S . .
H25A H 0.2303 0.2952 0.0581 0.092 Uiso 0.50 1 calc PR . .
H25B H 0.1508 0.2377 0.0808 0.092 Uiso 0.50 1 calc PR . .
H25C H 0.2600 0.2171 0.0497 0.092 Uiso 0.50 1 calc PR . .
F1 F 0.5705(3) 0.2500 0.6330(3) 0.0588(12) Uani 1 2 d S . .
F2 F 0.5196(2) 0.3040(3) 0.4965(3) 0.1013(15) Uani 1 1 d . . .
F3 F 0.3157(3) 0.2500 0.8648(3) 0.0625(13) Uani 1 2 d S . .
F4 F 0.1803(3) 0.3027(2) 0.8103(2) 0.0806(11) Uani 1 1 d . . .
B1 B 0.3813(5) 0.7500 0.0206(5) 0.0251(15) Uani 1 2 d S . .
F5 F 0.3061(2) 0.92786(13) -0.2660(2) 0.0537(8) Uani 1 1 d . . .
F6 F 0.2743(3) 0.87442(15) -0.4054(2) 0.0862(13) Uani 1 1 d . . .
F7 F 0.4287(3) 0.89290(15) -0.3416(3) 0.0710(10) Uani 1 1 d . . .
F8 F -0.0432(2) 0.62604(16) 0.0665(3) 0.0763(11) Uani 1 1 d . . .
F9 F 0.0706(3) 0.60486(19) 0.1914(2) 0.0955(14) Uani 1 1 d . . .
F10 F 0.0910(2) 0.57296(14) 0.0432(2) 0.0557(8) Uani 1 1 d . . .
F11A F 0.6457(8) 0.5759(5) -0.0908(6) 0.116(3) Uani 0.826(16) 1 d P A 1
F12A F 0.6535(4) 0.4957(2) 0.0129(7) 0.077(2) Uani 0.826(16) 1 d P A 1
F13A F 0.7484(4) 0.5798(5) 0.0446(9) 0.120(5) Uani 0.826(16) 1 d P A 1
F11B F 0.700(2) 0.6044(12) -0.036(3) 0.052(10) Uani 0.174(16) 1 d P A 2
F12B F 0.629(2) 0.518(2) -0.040(2) 0.075(9) Uiso 0.174(16) 1 d P A 2
F13B F 0.731(2) 0.543(2) 0.093(2) 0.112(16) Uani 0.174(16) 1 d P A 2
F14 F 0.3693(3) 0.5915(2) 0.3286(3) 0.0848(12) Uani 1 1 d . . .
F15 F 0.4458(4) 0.5028(2) 0.2930(5) 0.143(2) Uani 1 1 d . . .
F16 F 0.5276(3) 0.5788(4) 0.3742(3) 0.154(3) Uani 1 1 d . . .
C31 C 0.3681(4) 0.7500 -0.1026(4) 0.0243(13) Uani 1 2 d S . .
C32 C 0.3573(3) 0.8101(2) -0.1589(3) 0.0281(9) Uani 1 1 d . . .
H32 H 0.3621 0.8522 -0.1243 0.034 Uiso 1 1 calc R . .
C33 C 0.3398(3) 0.8101(2) -0.2633(3) 0.0286(10) Uani 1 1 d . . .
C34 C 0.3298(4) 0.7500 -0.3173(5) 0.0297(14) Uani 1 2 d S . .
H34 H 0.3166 0.7500 -0.3888 0.036 Uiso 1 2 calc SR . .
C35 C 0.3365(4) 0.8758(2) -0.3188(4) 0.0422(12) Uani 1 1 d . . .
C36 C 0.2629(4) 0.7500 0.0485(4) 0.0260(13) Uani 1 2 d S . .
C37 C 0.2090(3) 0.6899(2) 0.0583(3) 0.0293(10) Uani 1 1 d . . .
H37 H 0.2420 0.6479 0.0502 0.035 Uiso 1 1 calc R . .
C38 C 0.1088(3) 0.6899(2) 0.0795(3) 0.0300(10) Uani 1 1 d . . .
C39 C 0.0574(5) 0.7500 0.0916(4) 0.0339(15) Uani 1 2 d S . .
H39 H -0.0108 0.7500 0.1077 0.041 Uiso 1 2 calc SR . .
C40 C 0.0574(4) 0.6242(3) 0.0960(4) 0.0433(12) Uani 1 1 d . . .
C41 C 0.4453(3) 0.6833(2) 0.0687(3) 0.0269(9) Uani 1 1 d . . .
C42 C 0.5224(3) 0.6516(2) 0.0226(3) 0.0328(10) Uani 1 1 d . . .
H42 H 0.5385 0.6689 -0.0398 0.039 Uiso 1 1 calc R . .
C43 C 0.5766(3) 0.5957(2) 0.0644(4) 0.0385(11) Uani 1 1 d . A .
C44 C 0.5552(3) 0.5687(2) 0.1549(4) 0.0450(13) Uani 1 1 d . . .
H44 H 0.5911 0.5302 0.1833 0.054 Uiso 1 1 calc R . .
C45 C 0.4800(3) 0.5993(2) 0.2030(4) 0.0409(12) Uani 1 1 d . . .
C46 C 0.4272(3) 0.6552(2) 0.1611(3) 0.0334(10) Uani 1 1 d . . .
H46 H 0.3767 0.6752 0.1965 0.040 Uiso 1 1 calc R . .
C47 C 0.6573(4) 0.5636(3) 0.0111(5) 0.0567(16) Uani 1 1 d . . .
C48 C 0.4550(4) 0.5697(3) 0.2993(5) 0.0669(18) Uani 1 1 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'
O O 0.0106 0.0060 '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'
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'
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
C6 Rh1 C15 88.8(2) . .
C6 Rh1 O2 167.18(19) . .
C15 Rh1 O2 104.0(2) . .
C6 Rh1 P1 80.63(3) . .
C15 Rh1 P1 92.16(4) . .
O2 Rh1 P1 98.60(3) . .
C6 Rh1 P1 80.64(3) . 4_565
C15 Rh1 P1 92.16(4) . 4_565
O2 Rh1 P1 98.60(3) . 4_565
P1 Rh1 P1 160.67(6) . 4_565
O1 P1 C7 102.92(17) . .
O1 P1 C11 102.19(18) . .
C7 P1 C11 111.49(19) . .
O1 P1 Rh1 102.18(10) . .
C7 P1 Rh1 123.93(14) . .
C11 P1 Rh1 110.89(14) . .
C1 O1 P1 116.1(2) . .
C23 O2 Rh1 179.3(5) . .
C2 C1 C6 122.8(4) . .
C2 C1 O1 118.0(3) . .
C6 C1 O1 119.1(3) . .
C1 C2 C3 118.2(4) . .
C1 C2 H2 120.9 . .
C3 C2 H2 120.9 . .
C2 C3 C2 121.4(5) . 4_565
C2 C3 H3 119.3 . .
C2 C3 H3 119.3 4_565 .
C1 C6 C1 116.6(5) 4_565 .
C1 C6 Rh1 121.5(2) 4_565 .
C1 C6 Rh1 121.5(2) . .
C10 C7 C9 109.3(4) . .
C10 C7 C8 109.7(4) . .
C9 C7 C8 107.5(4) . .
C10 C7 P1 108.1(3) . .
C9 C7 P1 112.8(3) . .
C8 C7 P1 109.3(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C14 C11 C13 108.3(4) . .
C14 C11 C12 108.6(4) . .
C13 C11 C12 111.3(4) . .
C14 C11 P1 104.4(3) . .
C13 C11 P1 113.7(3) . .
C12 C11 P1 110.3(3) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C20 C15 C16 117.4(5) . .
C20 C15 Rh1 115.3(4) . .
C16 C15 Rh1 127.3(4) . .
C17 C16 C15 120.7(5) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C16 C17 C18 121.4(5) . .
C16 C17 C22 118.1(5) . .
C18 C17 C22 120.4(5) . .
C19 C18 C17 117.9(5) . .
C19 C18 H18 121.0 . .
C17 C18 H18 121.0 . .
C18 C19 C20 120.8(5) . .
C18 C19 C21 123.2(6) . .
C20 C19 C21 116.1(6) . .
C15 C20 C19 121.8(5) . .
C15 C20 H20 119.1 . .
C19 C20 H20 119.1 . .
F2 C21 F2 106.3(7) 4_565 .
F2 C21 F1 106.0(4) 4_565 .
F2 C21 F1 106.0(4) . .
F2 C21 C19 112.6(4) 4_565 .
F2 C21 C19 112.6(4) . .
F1 C21 C19 112.8(6) . .
F4 C22 F4 103.9(6) 4_565 .
F4 C22 F3 106.0(4) 4_565 .
F4 C22 F3 106.0(4) . .
F4 C22 C17 113.0(4) 4_565 .
F4 C22 C17 113.0(4) . .
F3 C22 C17 114.1(5) . .
O2 C23 C24 119.6(7) . .
O2 C23 C25 122.1(7) . .
C24 C23 C25 118.3(7) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C31 B1 C36 104.1(4) . .
C31 B1 C41 112.1(3) . .
C36 B1 C41 111.4(3) . .
C31 B1 C41 112.1(3) . 4_575
C36 B1 C41 111.4(3) . 4_575
C41 B1 C41 105.9(4) . 4_575
C32 C31 C32 115.5(5) 4_575 .
C32 C31 B1 122.1(3) 4_575 .
C32 C31 B1 122.1(3) . .
C33 C32 C31 122.3(4) . .
C33 C32 H32 118.9 . .
C31 C32 H32 118.9 . .
C32 C33 C34 121.1(4) . .
C32 C33 C35 119.5(4) . .
C34 C33 C35 119.4(4) . .
C33 C34 C33 117.7(6) . 4_575
C33 C34 H34 121.2 . .
C33 C34 H34 121.2 4_575 .
F7 C35 F6 106.6(4) . .
F7 C35 F5 105.6(4) . .
F6 C35 F5 106.4(4) . .
F7 C35 C33 111.2(4) . .
F6 C35 C33 113.0(4) . .
F5 C35 C33 113.5(4) . .
C37 C36 C37 116.2(5) . 4_575
C37 C36 B1 121.9(3) . .
C37 C36 B1 121.9(3) 4_575 .
C38 C37 C36 121.9(4) . .
C38 C37 H37 119.0 . .
C36 C37 H37 119.0 . .
C37 C38 C39 121.1(4) . .
C37 C38 C40 119.5(4) . .
C39 C38 C40 119.3(4) . .
C38 C39 C38 117.8(6) . 4_575
C38 C39 H39 121.1 . .
C38 C39 H39 121.1 4_575 .
F9 C40 F8 107.4(4) . .
F9 C40 F10 106.1(4) . .
F8 C40 F10 104.2(4) . .
F9 C40 C38 112.7(4) . .
F8 C40 C38 112.6(4) . .
F10 C40 C38 113.1(4) . .
C42 C41 C46 115.0(4) . .
C42 C41 B1 123.4(4) . .
C46 C41 B1 121.6(4) . .
C43 C42 C41 122.8(4) . .
C43 C42 H42 118.6 . .
C41 C42 H42 118.6 . .
C44 C43 C42 120.4(4) . .
C44 C43 C47 119.2(5) . .
C42 C43 C47 120.4(5) . .
C43 C44 C45 118.2(4) . .
C43 C44 H44 120.9 . .
C45 C44 H44 120.9 . .
C46 C45 C44 120.8(5) . .
C46 C45 C48 120.6(5) . .
C44 C45 C48 118.6(5) . .
C45 C46 C41 122.7(4) . .
C45 C46 H46 118.7 . .
C41 C46 H46 118.7 . .
F12B C47 F11B 111(2) . .
F12B C47 F13A 128.5(16) . .
F11B C47 F13A 61.9(14) . .
F11B C47 F12A 134.3(12) . .
F13A C47 F12A 106.4(6) . .
F12B C47 F11A 64.6(18) . .
F11B C47 F11A 50.7(16) . .
F13A C47 F11A 106.7(8) . .
F12A C47 F11A 101.2(6) . .
F12B C47 F13B 112(2) . .
F11B C47 F13B 105.4(19) . .
F12A C47 F13B 74.3(18) . .
F11A C47 F13B 142.2(12) . .
F12B C47 C43 114.3(14) . .
F11B C47 C43 111.9(10) . .
F13A C47 C43 115.1(5) . .
F12A C47 C43 112.7(5) . .
F11A C47 C43 113.6(5) . .
F13B C47 C43 102.3(13) . .
F16 C48 F14 107.6(6) . .
F16 C48 F15 103.7(5) . .
F14 C48 F15 105.6(5) . .
F16 C48 C45 112.8(5) . .
F14 C48 C45 114.9(4) . .
F15 C48 C45 111.4(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C6 1.975(5) .
Rh1 C15 2.000(5) .
Rh1 O2 2.186(4) .
Rh1 P1 2.3550(11) .
Rh1 P1 2.3551(11) 4_565
P1 O1 1.647(3) .
P1 C7 1.870(4) .
P1 C11 1.873(4) .
O1 C1 1.400(5) .
O2 C23 1.220(7) .
C1 C2 1.387(6) .
C1 C6 1.395(5) .
C2 C3 1.392(5) .
C2 H2 0.9500 .
C3 C2 1.392(5) 4_565
C3 H3 0.9500 .
C6 C1 1.395(5) 4_565
C7 C10 1.534(6) .
C7 C9 1.539(6) .
C7 C8 1.543(6) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C14 1.538(6) .
C11 C13 1.539(6) .
C11 C12 1.541(6) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C20 1.379(8) .
C15 C16 1.408(8) .
C16 C17 1.384(8) .
C16 H16 0.9500 .
C17 C18 1.392(8) .
C17 C22 1.480(9) .
C18 C19 1.384(9) .
C18 H18 0.9500 .
C19 C20 1.394(8) .
C19 C21 1.490(9) .
C20 H20 0.9500 .
C21 F2 1.333(6) 4_565
C21 F2 1.333(6) .
C21 F1 1.356(8) .
C22 F4 1.323(5) 4_565
C22 F4 1.323(5) .
C22 F3 1.327(7) .
C23 C24 1.471(11) .
C23 C25 1.480(10) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
B1 C31 1.635(9) .
B1 C36 1.649(9) .
B1 C41 1.652(5) .
B1 C41 1.652(5) 4_575
F5 C35 1.337(5) .
F6 C35 1.333(5) .
F7 C35 1.333(6) .
F8 C40 1.338(5) .
F9 C40 1.322(6) .
F10 C40 1.341(5) .
F11A C47 1.375(9) .
F12A C47 1.343(8) .
F13A C47 1.270(7) .
F11B C47 1.208(18) .
F12B C47 1.17(3) .
F13B C47 1.43(3) .
F14 C48 1.313(7) .
F15 C48 1.329(8) .
F16 C48 1.309(7) .
C31 C32 1.404(5) 4_575
C31 C32 1.404(5) .
C32 C33 1.386(6) .
C32 H32 0.9500 .
C33 C34 1.389(5) .
C33 C35 1.494(6) .
C34 C33 1.389(5) 4_575
C34 H34 0.9500 .
C36 C37 1.399(5) .
C36 C37 1.399(5) 4_575
C37 C38 1.385(6) .
C37 H37 0.9500 .
C38 C39 1.388(5) .
C38 C40 1.494(6) .
C39 C38 1.388(5) 4_575
C39 H39 0.9500 .
C41 C42 1.401(6) .
C41 C46 1.403(6) .
C42 C43 1.394(6) .
C42 H42 0.9500 .
C43 C44 1.384(7) .
C43 C47 1.494(7) .
C44 C45 1.388(7) .
C44 H44 0.9500 .
C45 C46 1.385(6) .
C45 C48 1.488(7) .
C46 H46 0.9500 .
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_4
C6 Rh1 P1 O1 -5.07(19) . .
C15 Rh1 P1 O1 83.34(19) . .
O2 Rh1 P1 O1 -172.11(17) . .
P1 Rh1 P1 O1 -19.5(2) 4_565 .
C6 Rh1 P1 C7 -120.0(2) . .
C15 Rh1 P1 C7 -31.6(2) . .
O2 Rh1 P1 C7 73.0(2) . .
P1 Rh1 P1 C7 -134.4(2) 4_565 .
C6 Rh1 P1 C11 103.2(2) . .
C15 Rh1 P1 C11 -168.4(2) . .
O2 Rh1 P1 C11 -63.8(2) . .
P1 Rh1 P1 C11 88.8(2) 4_565 .
C7 P1 O1 C1 134.0(3) . .
C11 P1 O1 C1 -110.3(3) . .
Rh1 P1 O1 C1 4.5(3) . .
P1 O1 C1 C2 -179.4(3) . .
P1 O1 C1 C6 -0.8(5) . .
C6 C1 C2 C3 -0.6(6) . .
O1 C1 C2 C3 177.9(4) . .
C1 C2 C3 C2 1.0(8) . 4_565
C2 C1 C6 C1 0.2(7) . 4_565
O1 C1 C6 C1 -178.3(3) . 4_565
C2 C1 C6 Rh1 173.7(3) . .
O1 C1 C6 Rh1 -4.8(6) . .
C15 Rh1 C6 C1 86.6(4) . 4_565
O2 Rh1 C6 C1 -93.4(4) . 4_565
P1 Rh1 C6 C1 179.0(4) . 4_565
P1 Rh1 C6 C1 -5.8(4) 4_565 4_565
C15 Rh1 C6 C1 -86.6(4) . .
O2 Rh1 C6 C1 93.4(4) . .
P1 Rh1 C6 C1 5.8(4) . .
P1 Rh1 C6 C1 -179.0(4) 4_565 .
O1 P1 C7 C10 -166.1(3) . .
C11 P1 C7 C10 85.1(3) . .
Rh1 P1 C7 C10 -51.6(3) . .
O1 P1 C7 C9 72.9(3) . .
C11 P1 C7 C9 -36.0(4) . .
Rh1 P1 C7 C9 -172.6(3) . .
O1 P1 C7 C8 -46.7(3) . .
C11 P1 C7 C8 -155.6(3) . .
Rh1 P1 C7 C8 67.8(3) . .
O1 P1 C11 C14 78.5(3) . .
C7 P1 C11 C14 -172.1(3) . .
Rh1 P1 C11 C14 -29.7(3) . .
O1 P1 C11 C13 -39.2(3) . .
C7 P1 C11 C13 70.1(4) . .
Rh1 P1 C11 C13 -147.5(3) . .
O1 P1 C11 C12 -165.0(3) . .
C7 P1 C11 C12 -55.7(4) . .
Rh1 P1 C11 C12 86.7(3) . .
C6 Rh1 C15 C20 180.0 . .
O2 Rh1 C15 C20 0.0 . .
P1 Rh1 C15 C20 99.42(3) . .
P1 Rh1 C15 C20 -99.42(3) 4_565 .
C6 Rh1 C15 C16 0.0 . .
O2 Rh1 C15 C16 180.0 . .
P1 Rh1 C15 C16 -80.58(3) . .
P1 Rh1 C15 C16 80.58(3) 4_565 .
C20 C15 C16 C17 0.000(1) . .
Rh1 C15 C16 C17 180.000(1) . .
C15 C16 C17 C18 0.000(2) . .
C15 C16 C17 C22 180.000(1) . .
C16 C17 C18 C19 0.000(2) . .
C22 C17 C18 C19 180.000(2) . .
C17 C18 C19 C20 0.000(2) . .
C17 C18 C19 C21 180.000(2) . .
C16 C15 C20 C19 0.000(2) . .
Rh1 C15 C20 C19 180.000(1) . .
C18 C19 C20 C15 0.000(2) . .
C21 C19 C20 C15 180.000(1) . .
C18 C19 C21 F2 120.0(5) . 4_565
C20 C19 C21 F2 -60.0(5) . 4_565
C18 C19 C21 F2 -120.0(5) . .
C20 C19 C21 F2 60.0(5) . .
C18 C19 C21 F1 0.000(2) . .
C20 C19 C21 F1 180.000(1) . .
C16 C17 C22 F4 58.8(4) . 4_565
C18 C17 C22 F4 -121.2(4) . 4_565
C16 C17 C22 F4 -58.8(4) . .
C18 C17 C22 F4 121.2(4) . .
C16 C17 C22 F3 180.000(1) . .
C18 C17 C22 F3 0.000(2) . .
C36 B1 C31 C32 -87.0(4) . 4_575
C41 B1 C31 C32 33.5(7) . 4_575
C41 B1 C31 C32 152.5(4) 4_575 4_575
C36 B1 C31 C32 87.0(4) . .
C41 B1 C31 C32 -152.5(4) . .
C41 B1 C31 C32 -33.5(7) 4_575 .
C32 C31 C32 C33 -1.6(8) 4_575 .
B1 C31 C32 C33 -175.9(4) . .
C31 C32 C33 C34 1.5(7) . .
C31 C32 C33 C35 -175.7(4) . .
C32 C33 C34 C33 -1.2(8) . 4_575
C35 C33 C34 C33 176.0(4) . 4_575
C32 C33 C35 F7 90.7(5) . .
C34 C33 C35 F7 -86.5(5) . .
C32 C33 C35 F6 -149.4(4) . .
C34 C33 C35 F6 33.4(7) . .
C32 C33 C35 F5 -28.1(6) . .
C34 C33 C35 F5 154.7(4) . .
C31 B1 C36 C37 88.2(5) . .
C41 B1 C36 C37 -32.8(7) . .
C41 B1 C36 C37 -150.8(4) 4_575 .
C31 B1 C36 C37 -88.2(5) . 4_575
C41 B1 C36 C37 150.8(4) . 4_575
C41 B1 C36 C37 32.8(7) 4_575 4_575
C37 C36 C37 C38 -1.9(8) 4_575 .
B1 C36 C37 C38 -178.5(4) . .
C36 C37 C38 C39 0.3(7) . .
C36 C37 C38 C40 -175.9(4) . .
C37 C38 C39 C38 1.4(8) . 4_575
C40 C38 C39 C38 177.6(4) . 4_575
C37 C38 C40 F9 89.5(5) . .
C39 C38 C40 F9 -86.6(6) . .
C37 C38 C40 F8 -148.8(4) . .
C39 C38 C40 F8 35.1(6) . .
C37 C38 C40 F10 -30.9(6) . .
C39 C38 C40 F10 152.9(5) . .
C31 B1 C41 C42 31.7(6) . .
C36 B1 C41 C42 147.8(4) . .
C41 B1 C41 C42 -91.0(5) 4_575 .
C31 B1 C41 C46 -149.8(4) . .
C36 B1 C41 C46 -33.7(6) . .
C41 B1 C41 C46 87.6(5) 4_575 .
C46 C41 C42 C43 0.8(6) . .
B1 C41 C42 C43 179.4(4) . .
C41 C42 C43 C44 0.3(7) . .
C41 C42 C43 C47 179.4(4) . .
C42 C43 C44 C45 -1.0(7) . .
C47 C43 C44 C45 180.0(4) . .
C43 C44 C45 C46 0.5(7) . .
C43 C44 C45 C48 178.7(5) . .
C44 C45 C46 C41 0.7(7) . .
C48 C45 C46 C41 -177.5(5) . .
C42 C41 C46 C45 -1.3(6) . .
B1 C41 C46 C45 -179.9(4) . .
C44 C43 C47 F12B 85(2) . .
C42 C43 C47 F12B -95(2) . .
C44 C43 C47 F11B -149(2) . .
C42 C43 C47 F11B 32(2) . .
C44 C43 C47 F13A -80.5(10) . .
C42 C43 C47 F13A 100.5(9) . .
C44 C43 C47 F12A 41.7(8) . .
C42 C43 C47 F12A -137.3(7) . .
C44 C43 C47 F11A 156.1(8) . .
C42 C43 C47 F11A -23.0(9) . .
C44 C43 C47 F13B -36(2) . .
C42 C43 C47 F13B 145(2) . .
C46 C45 C48 F16 -111.1(6) . .
C44 C45 C48 F16 70.7(8) . .
C46 C45 C48 F14 12.7(8) . .
C44 C45 C48 F14 -165.5(5) . .
C46 C45 C48 F15 132.7(5) . .
C44 C45 C48 F15 -45.5(7) . .
