#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:44:54 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178532 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/37/4063792.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_4063792
loop_
_publ_author_name
'O’Connor, Abby R.'
'Kaminsky, Werner'
'Heinekey, D. Michael'
'Goldberg, Karen I.'
_publ_section_title
;
 Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium
 Complexes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2105
_journal_paper_doi               10.1021/om1009473
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C48 H62 P2 Rh2, 2(C32 H12 B F24) '
_chemical_formula_sum            'C112 H86 B2 F48 P2 Rh2'
_chemical_formula_weight         2633.19
_chemical_name_common            IIIA0231_2
_chemical_name_systematic
;
 IIIA0231_2
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_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             2010-04-14T14:53:34-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                114.010(5)
_cell_angle_beta                 99.427(5)
_cell_angle_gamma                103.365(3)
_cell_formula_units_Z            1
_cell_length_a                   12.3548(7)
_cell_length_b                   16.0451(10)
_cell_length_c                   16.3743(16)
_cell_measurement_reflns_used    135
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     2760.7(4)
_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      110(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.99
_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  0.0986
_diffrn_reflns_av_unetI/netI     0.0946
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            42941
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.5
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.457
_exptl_absorpt_correction_T_max  0.9775
_exptl_absorpt_correction_T_min  0.9346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.698
_refine_diff_density_min         -1.674
_refine_diff_density_rms         0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         10011
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0990P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1529
_refine_ls_wR_factor_ref         0.177
_reflns_number_gt                6744
_reflns_number_total             10011
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            om1009473_si_002.cif
_cod_data_source_block           iiia0231_2
_cod_database_code               4063792
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
C1 C 0.3124(4) 0.3799(4) 0.5158(4) 0.0211(12) Uani 1 1 d .
H1 H 0.3535 0.4338 0.5044 0.025 Uiso 1 1 calc R
C2 C 0.2297(5) 0.3010(4) 0.4215(4) 0.0251(13) Uani 1 1 d .
H2A H 0.1701 0.3253 0.3999 0.03 Uiso 1 1 calc R
H2B H 0.1894 0.2446 0.4288 0.03 Uiso 1 1 calc R
C3 C 0.2941(5) 0.2693(4) 0.3485(4) 0.0302(14) Uani 1 1 d .
H3A H 0.2391 0.2147 0.2898 0.036 Uiso 1 1 calc R
H3B H 0.326 0.3234 0.3352 0.036 Uiso 1 1 calc R
C4 C 0.3914(5) 0.2390(5) 0.3819(4) 0.0335(15) Uani 1 1 d .
H4A H 0.4368 0.226 0.3363 0.04 Uiso 1 1 calc R
H4B H 0.3581 0.1781 0.3845 0.04 Uiso 1 1 calc R
C5 C 0.4716(5) 0.3141(5) 0.4766(4) 0.0356(15) Uani 1 1 d .
H5A H 0.5136 0.3718 0.4721 0.043 Uiso 1 1 calc R
H5B H 0.53 0.2881 0.4971 0.043 Uiso 1 1 calc R
C6 C 0.4063(5) 0.3438(5) 0.5496(4) 0.0294(14) Uani 1 1 d .
H6A H 0.4612 0.3957 0.6101 0.035 Uiso 1 1 calc R
H6B H 0.37 0.2878 0.559 0.035 Uiso 1 1 calc R
C7 C 0.3319(5) 0.5160(4) 0.7119(4) 0.0237(12) Uani 1 1 d .
H7 H 0.3716 0.4796 0.7364 0.028 Uiso 1 1 calc R
C8 C 0.2638(5) 0.5608(4) 0.7792(4) 0.0322(14) Uani 1 1 d .
H8A H 0.2203 0.5942 0.7544 0.039 Uiso 1 1 calc R
H8B H 0.2068 0.5087 0.7828 0.039 Uiso 1 1 calc R
C9 C 0.3445(6) 0.6326(5) 0.8768(4) 0.0425(17) Uani 1 1 d .
H9A H 0.3824 0.5982 0.9044 0.051 Uiso 1 1 calc R
H9B H 0.2987 0.6626 0.9173 0.051 Uiso 1 1 calc R
C10 C 0.4380(6) 0.7118(5) 0.8721(4) 0.0447(18) Uani 1 1 d .
H10A H 0.4002 0.7498 0.8497 0.054 Uiso 1 1 calc R
H10B H 0.4919 0.7564 0.9355 0.054 Uiso 1 1 calc R
C11 C 0.5055(6) 0.6681(5) 0.8076(4) 0.0450(18) Uani 1 1 d .
H11A H 0.5485 0.6349 0.833 0.054 Uiso 1 1 calc R
H11B H 0.563 0.7202 0.8044 0.054 Uiso 1 1 calc R
C12 C 0.4264(5) 0.5960(4) 0.7094(4) 0.0306(14) Uani 1 1 d .
H12A H 0.4734 0.5665 0.6699 0.037 Uiso 1 1 calc R
H12B H 0.3891 0.6302 0.6813 0.037 Uiso 1 1 calc R
C13 C 0.1480(4) 0.3331(4) 0.6171(3) 0.0175(11) Uani 1 1 d .
C14 C 0.1944(5) 0.2834(4) 0.6573(3) 0.0208(12) Uani 1 1 d .
H14 H 0.2758 0.2949 0.6732 0.025 Uiso 1 1 calc R
C15 C 0.1216(5) 0.2172(4) 0.6740(4) 0.0237(12) Uani 1 1 d .
H15 H 0.1534 0.1828 0.7013 0.028 Uiso 1 1 calc R
C16 C 0.0021(5) 0.1994(4) 0.6516(4) 0.0250(13) Uani 1 1 d .
H16 H -0.047 0.1533 0.6636 0.03 Uiso 1 1 calc R
C17 C -0.0439(5) 0.2483(4) 0.6127(4) 0.0209(12) Uani 1 1 d .
H17 H -0.1255 0.236 0.5972 0.025 Uiso 1 1 calc R
C18 C 0.0280(4) 0.3171(4) 0.5952(3) 0.0196(12) Uani 1 1 d .
C19 C -0.0243(4) 0.3719(4) 0.5553(3) 0.0158(11) Uani 1 1 d .
C20 C -0.0437(4) 0.4576(4) 0.6136(4) 0.0185(11) Uani 1 1 d .
H20 H 0.0052 0.4964 0.676 0.022 Uiso 1 1 calc R
C21 C 0.1355(4) 0.5133(4) 0.4199(4) 0.0210(12) Uani 1 1 d .
H21 H 0.1453 0.4543 0.3812 0.025 Uiso 1 1 calc R
C22 C 0.2109(5) 0.5733(4) 0.5111(4) 0.0209(12) Uani 1 1 d .
H22 H 0.2869 0.571 0.5285 0.025 Uiso 1 1 calc R
C23 C 0.1684(4) 0.6367(4) 0.5749(4) 0.0215(12) Uani 1 1 d .
H23 H 0.2025 0.6625 0.6401 0.026 Uiso 1 1 calc R
C24 C -0.0734(4) 0.3376(4) 0.4587(4) 0.0180(11) Uani 1 1 d .
H24 H -0.0427 0.2967 0.4153 0.022 Uiso 1 1 calc R
C25 C -0.2183(4) 0.0568(4) 0.7280(4) 0.0174(11) Uani 1 1 d .
C26 C -0.2871(5) 0.0293(4) 0.6385(4) 0.0206(12) Uani 1 1 d .
H26 H -0.3533 0.0492 0.6327 0.025 Uiso 1 1 calc R
C27 C -0.2624(5) -0.0260(4) 0.5581(4) 0.0242(12) Uani 1 1 d .
C28 C -0.1649(4) -0.0568(4) 0.5636(4) 0.0230(12) Uani 1 1 d .
H28 H -0.1466 -0.0939 0.5089 0.028 Uiso 1 1 calc R
C29 C -0.0972(4) -0.0312(4) 0.6509(4) 0.0208(12) Uani 1 1 d .
C30 C -0.1226(4) 0.0246(4) 0.7322(4) 0.0185(11) Uani 1 1 d .
H30 H -0.0737 0.0408 0.7914 0.022 Uiso 1 1 calc R
C31 C -0.3388(6) -0.0530(5) 0.4656(4) 0.0342(15) Uani 1 1 d .
C32 C 0.0085(5) -0.0586(4) 0.6626(4) 0.0239(13) Uani 1 1 d .
C33 C -0.1898(4) 0.1230(4) 0.9152(3) 0.0193(11) Uani 1 1 d .
C34 C -0.1385(4) 0.2014(4) 1.0036(4) 0.0209(12) Uani 1 1 d .
H34 H -0.1286 0.2647 1.0105 0.025 Uiso 1 1 calc R
C35 C -0.1014(5) 0.1904(4) 1.0820(4) 0.0237(12) Uani 1 1 d .
C36 C -0.1153(5) 0.0996(4) 1.0760(4) 0.0232(12) Uani 1 1 d .
H36 H -0.091 0.0922 1.13 0.028 Uiso 1 1 calc R
C37 C -0.1660(5) 0.0200(4) 0.9883(4) 0.0243(12) Uani 1 1 d .
C38 C -0.2019(5) 0.0317(4) 0.9105(4) 0.0227(12) Uani 1 1 d .
H38 H -0.2361 -0.0241 0.8514 0.027 Uiso 1 1 calc R
C39 C -0.1872(5) -0.0785(4) 0.9814(4) 0.0311(14) Uani 1 1 d .
C40 C -0.0458(5) 0.2756(5) 1.1751(4) 0.0325(15) Uani 1 1 d .
C41 C -0.3806(4) 0.1113(4) 0.8114(4) 0.0204(12) Uani 1 1 d .
C42 C -0.4558(4) 0.0170(4) 0.7675(4) 0.0217(12) Uani 1 1 d .
H42 H -0.4256 -0.0341 0.7414 0.026 Uiso 1 1 calc R
C43 C -0.5738(5) -0.0059(4) 0.7599(4) 0.0257(13) Uani 1 1 d .
C44 C -0.6211(5) 0.0679(4) 0.7963(4) 0.0277(13) Uani 1 1 d .
H44 H -0.7018 0.0535 0.7909 0.033 Uiso 1 1 calc R
C45 C -0.5474(5) 0.1619(4) 0.8398(4) 0.0245(13) Uani 1 1 d .
C46 C -0.4288(5) 0.1841(4) 0.8488(4) 0.0214(12) Uani 1 1 d .
H46 H -0.38 0.2498 0.8807 0.026 Uiso 1 1 calc R
C47 C -0.5978(5) 0.2419(5) 0.8688(4) 0.0325(15) Uani 1 1 d .
C48 C -0.6488(5) -0.1091(5) 0.7113(5) 0.0345(15) Uani 1 1 d .
C49 C -0.1756(5) 0.2391(4) 0.8300(3) 0.0196(12) Uani 1 1 d .
C50 C -0.2355(5) 0.2807(4) 0.7859(4) 0.0240(12) Uani 1 1 d .
H50 H -0.3152 0.2473 0.7516 0.029 Uiso 1 1 calc R
C51 C -0.1817(5) 0.3692(4) 0.7907(4) 0.0245(13) Uani 1 1 d .
C52 C -0.0665(5) 0.4206(4) 0.8388(4) 0.0271(13) Uani 1 1 d .
H52 H -0.0307 0.4821 0.8433 0.033 Uiso 1 1 calc R
C53 C -0.0036(5) 0.3790(4) 0.8812(4) 0.0251(13) Uani 1 1 d .
C54 C -0.0590(5) 0.2906(4) 0.8758(4) 0.0208(12) Uani 1 1 d .
H54 H -0.0147 0.2641 0.9052 0.025 Uiso 1 1 calc R
C55 C -0.2539(6) 0.4089(5) 0.7437(5) 0.0354(15) Uani 1 1 d .
C56 C 0.1220(5) 0.4311(4) 0.9318(4) 0.0303(14) Uani 1 1 d .
B1 B -0.2398(5) 0.1340(5) 0.8218(4) 0.0208(13) Uani 1 1 d .
F1 F -0.4341(5) -0.1281(4) 0.4389(4) 0.111(2) Uani 1 1 d .
F2 F -0.3822(4) 0.0117(4) 0.4615(3) 0.0710(15) Uani 1 1 d .
F3 F 0.0060(3) -0.1120(3) 0.7079(3) 0.0445(10) Uani 1 1 d .
F4 F 0.1030(3) 0.0177(3) 0.7134(3) 0.0559(12) Uani 1 1 d .
F5 F 0.0265(3) -0.1113(3) 0.5822(3) 0.0528(11) Uani 1 1 d .
F6 F -0.2932(5) -0.0824(5) 0.3980(3) 0.114(3) Uani 1 1 d .
F7 F -0.2922(4) -0.1163(3) 0.9857(4) 0.0625(12) Uani 1 1 d .
F8 F -0.1122(4) -0.0815(3) 1.0477(3) 0.0544(11) Uani 1 1 d .
F9 F -0.1787(4) -0.1424(3) 0.9004(3) 0.0587(12) Uani 1 1 d .
F10 F 0.0639(4) 0.2859(3) 1.2129(3) 0.0722(15) Uani 1 1 d .
F11 F -0.1001(4) 0.2743(3) 1.2387(3) 0.0622(13) Uani 1 1 d .
F12 F -0.0405(3) 0.3593(2) 1.1751(2) 0.0434(10) Uani 1 1 d .
F13 F -0.5338(4) 0.3179(3) 0.9456(3) 0.0819(18) Uani 1 1 d .
F14 F -0.7027(4) 0.2153(3) 0.8797(4) 0.0781(16) Uani 1 1 d .
F15 F -0.6151(4) 0.2720(3) 0.8054(3) 0.0599(12) Uani 1 1 d .
F16 F -0.6076(4) -0.1643(3) 0.7405(4) 0.0677(14) Uani 1 1 d .
F17 F -0.6560(5) -0.1526(3) 0.6205(4) 0.099(2) Uani 1 1 d .
F18 F -0.7548(4) -0.1243(3) 0.7130(5) 0.105(2) Uani 1 1 d .
F19 F -0.3555(3) 0.4048(3) 0.7639(3) 0.0593(12) Uani 1 1 d .
F20 F -0.2818(3) 0.3589(3) 0.6505(3) 0.0464(10) Uani 1 1 d .
F21 F -0.2002(3) 0.5010(3) 0.7650(3) 0.0437(9) Uani 1 1 d .
F22 F 0.1549(3) 0.4207(3) 1.0080(2) 0.0429(9) Uani 1 1 d .
F23 F 0.1900(3) 0.3985(3) 0.8786(3) 0.0463(10) Uani 1 1 d .
F24 F 0.1538(3) 0.5259(2) 0.9600(3) 0.0428(9) Uani 1 1 d .
P1 P 0.22951(11) 0.42940(10) 0.59690(9) 0.0170(3) Uani 1 1 d .
Rh1 Rh 0.08493(3) 0.47675(3) 0.53366(3) 0.01641(14) 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 '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'
B B 0.0013 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0 '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
C2 C1 C6 109.9(4) . .
C2 C1 P1 110.2(3) . .
C6 C1 P1 117.1(4) . .
C2 C1 H1 106.3 . .
C6 C1 H1 106.3 . .
P1 C1 H1 106.3 . .
C1 C2 C3 111.5(4) . .
C1 C2 H2A 109.3 . .
C3 C2 H2A 109.3 . .
C1 C2 H2B 109.3 . .
C3 C2 H2B 109.3 . .
H2A C2 H2B 108 . .
C4 C3 C2 111.1(5) . .
C4 C3 H3A 109.4 . .
C2 C3 H3A 109.4 . .
C4 C3 H3B 109.4 . .
C2 C3 H3B 109.4 . .
H3A C3 H3B 108 . .
C3 C4 C5 112.8(5) . .
C3 C4 H4A 109 . .
C5 C4 H4A 109 . .
C3 C4 H4B 109 . .
C5 C4 H4B 109 . .
H4A C4 H4B 107.8 . .
C4 C5 C6 112.2(5) . .
C4 C5 H5A 109.2 . .
C6 C5 H5A 109.2 . .
C4 C5 H5B 109.2 . .
C6 C5 H5B 109.2 . .
H5A C5 H5B 107.9 . .
C5 C6 C1 109.1(5) . .
C5 C6 H6A 109.9 . .
C1 C6 H6A 109.9 . .
C5 C6 H6B 109.9 . .
C1 C6 H6B 109.9 . .
H6A C6 H6B 108.3 . .
C8 C7 C12 110.4(5) . .
C8 C7 P1 109.1(4) . .
C12 C7 P1 113.4(4) . .
C8 C7 H7 107.9 . .
C12 C7 H7 107.9 . .
P1 C7 H7 107.9 . .
C9 C8 C7 111.6(5) . .
C9 C8 H8A 109.3 . .
C7 C8 H8A 109.3 . .
C9 C8 H8B 109.3 . .
C7 C8 H8B 109.3 . .
H8A C8 H8B 108 . .
C8 C9 C10 110.2(5) . .
C8 C9 H9A 109.6 . .
C10 C9 H9A 109.6 . .
C8 C9 H9B 109.6 . .
C10 C9 H9B 109.6 . .
H9A C9 H9B 108.1 . .
C11 C10 C9 110.9(6) . .
C11 C10 H10A 109.5 . .
C9 C10 H10A 109.5 . .
C11 C10 H10B 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 108 . .
C10 C11 C12 111.9(6) . .
C10 C11 H11A 109.2 . .
C12 C11 H11A 109.2 . .
C10 C11 H11B 109.2 . .
C12 C11 H11B 109.2 . .
H11A C11 H11B 107.9 . .
C11 C12 C7 110.8(5) . .
C11 C12 H12A 109.5 . .
C7 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 108.1 . .
C14 C13 C18 120.2(5) . .
C14 C13 P1 126.3(4) . .
C18 C13 P1 113.3(4) . .
C15 C14 C13 119.4(5) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C16 121.3(5) . .
C14 C15 H15 119.4 . .
C16 C15 H15 119.4 . .
C17 C16 C15 119.7(5) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C18 120.6(5) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C13 C18 C17 118.9(5) . .
C13 C18 C19 121.7(5) . .
C17 C18 C19 119.4(5) . .
C24 C19 C20 114.4(4) . .
C24 C19 C18 123.8(4) . .
C20 C19 C18 121.3(4) . .
C24 C19 Rh1 79.4(3) . .
C20 C19 Rh1 77.6(3) . .
C18 C19 Rh1 118.7(3) . .
C19 C20 C21 121.3(5) . 2_566
C19 C20 Rh1 64.6(3) . .
C21 C20 Rh1 104.5(3) 2_566 .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 2_566 .
Rh1 C20 H20 100.5 . .
C22 C21 C20 119.1(5) . 2_566
C22 C21 Rh1 64.6(3) . .
C20 C21 Rh1 105.3(3) 2_566 .
C22 C21 H21 120.5 . .
C20 C21 H21 120.5 2_566 .
Rh1 C21 H21 99.4 . .
C23 C22 C21 116.8(5) . .
C23 C22 Rh1 78.2(3) . .
C21 C22 Rh1 78.6(3) . .
C23 C22 H22 121.6 . .
C21 C22 H22 121.6 . .
Rh1 C22 H22 112.6 . .
C22 C23 C24 119.7(5) . 2_566
C22 C23 Rh1 65.0(3) . .
C24 C23 Rh1 103.4(3) 2_566 .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 2_566 .
Rh1 C23 H23 100.9 . .
C19 C24 C23 121.1(4) . 2_566
C19 C24 Rh1 63.4(3) . .
C23 C24 Rh1 106.3(3) 2_566 .
C19 C24 H24 119.4 . .
C23 C24 H24 119.4 2_566 .
Rh1 C24 H24 99.7 . .
C30 C25 C26 116.1(5) . .
C30 C25 B1 122.2(5) . .
C26 C25 B1 121.2(4) . .
C27 C26 C25 122.6(5) . .
C27 C26 H26 118.7 . .
C25 C26 H26 118.7 . .
C26 C27 C28 120.6(5) . .
C26 C27 C31 120.0(5) . .
C28 C27 C31 119.4(5) . .
C29 C28 C27 117.5(5) . .
C29 C28 H28 121.2 . .
C27 C28 H28 121.2 . .
C28 C29 C30 121.7(5) . .
C28 C29 C32 120.8(5) . .
C30 C29 C32 117.5(5) . .
C25 C30 C29 121.4(5) . .
C25 C30 H30 119.3 . .
C29 C30 H30 119.3 . .
F6 C31 F2 109.2(6) . .
F6 C31 F1 102.8(6) . .
F2 C31 F1 102.0(6) . .
F6 C31 C27 114.3(5) . .
F2 C31 C27 115.2(5) . .
F1 C31 C27 111.9(6) . .
F4 C32 F5 107.9(5) . .
F4 C32 F3 104.5(5) . .
F5 C32 F3 104.8(4) . .
F4 C32 C29 112.1(5) . .
F5 C32 C29 113.7(5) . .
F3 C32 C29 113.1(5) . .
C34 C33 C38 115.7(5) . .
C34 C33 B1 122.9(5) . .
C38 C33 B1 121.3(5) . .
C35 C34 C33 122.1(5) . .
C35 C34 H34 118.9 . .
C33 C34 H34 118.9 . .
C34 C35 C36 121.3(5) . .
C34 C35 C40 120.8(5) . .
C36 C35 C40 117.9(5) . .
C35 C36 C37 117.7(5) . .
C35 C36 H36 121.2 . .
C37 C36 H36 121.2 . .
C38 C37 C36 120.6(5) . .
C38 C37 C39 120.9(5) . .
C36 C37 C39 118.3(5) . .
C37 C38 C33 122.6(5) . .
C37 C38 H38 118.7 . .
C33 C38 H38 118.7 . .
F7 C39 F8 106.2(5) . .
F7 C39 F9 105.7(5) . .
F8 C39 F9 105.0(5) . .
F7 C39 C37 113.0(5) . .
F8 C39 C37 113.9(5) . .
F9 C39 C37 112.4(5) . .
F12 C40 F11 104.6(5) . .
F12 C40 F10 104.9(5) . .
F11 C40 F10 105.2(5) . .
F12 C40 C35 113.9(5) . .
F11 C40 C35 113.9(5) . .
F10 C40 C35 113.5(5) . .
C42 C41 C46 116.7(5) . .
C42 C41 B1 120.4(5) . .
C46 C41 B1 122.8(5) . .
C41 C42 C43 122.6(5) . .
C41 C42 H42 118.7 . .
C43 C42 H42 118.7 . .
C42 C43 C44 119.9(5) . .
C42 C43 C48 119.3(5) . .
C44 C43 C48 120.8(5) . .
C45 C44 C43 118.0(5) . .
C45 C44 H44 121 . .
C43 C44 H44 121 . .
C44 C45 C46 121.6(5) . .
C44 C45 C47 118.9(5) . .
C46 C45 C47 119.1(5) . .
C45 C46 C41 121.0(5) . .
C45 C46 H46 119.5 . .
C41 C46 H46 119.5 . .
F13 C47 F15 105.9(6) . .
F13 C47 F14 106.9(5) . .
F15 C47 F14 103.8(5) . .
F13 C47 C45 114.0(5) . .
F15 C47 C45 112.5(5) . .
F14 C47 C45 112.9(5) . .
F18 C48 F16 107.7(6) . .
F18 C48 F17 104.5(6) . .
F16 C48 F17 101.2(6) . .
F18 C48 C43 115.3(5) . .
F16 C48 C43 113.8(5) . .
F17 C48 C43 113.0(5) . .
C54 C49 C50 115.5(5) . .
C54 C49 B1 123.3(5) . .
C50 C49 B1 121.1(5) . .
C51 C50 C49 121.8(5) . .
C51 C50 H50 119.1 . .
C49 C50 H50 119.1 . .
C52 C51 C50 121.7(5) . .
C52 C51 C55 120.5(5) . .
C50 C51 C55 117.8(5) . .
C51 C52 C53 117.5(5) . .
C51 C52 H52 121.2 . .
C53 C52 H52 121.2 . .
C54 C53 C52 119.9(5) . .
C54 C53 C56 120.9(5) . .
C52 C53 C56 119.2(5) . .
C49 C54 C53 123.4(5) . .
C49 C54 H54 118.3 . .
C53 C54 H54 118.3 . .
F20 C55 F21 105.8(5) . .
F20 C55 F19 105.6(5) . .
F21 C55 F19 107.1(5) . .
F20 C55 C51 111.6(5) . .
F21 C55 C51 113.4(5) . .
F19 C55 C51 112.8(5) . .
F24 C56 F22 106.3(5) . .
F24 C56 F23 105.7(5) . .
F22 C56 F23 105.6(5) . .
F24 C56 C53 113.9(5) . .
F22 C56 C53 112.7(5) . .
F23 C56 C53 112.0(5) . .
C49 B1 C25 103.9(4) . .
C49 B1 C33 113.3(4) . .
C25 B1 C33 112.3(4) . .
C49 B1 C41 113.5(4) . .
C25 B1 C41 110.9(4) . .
C33 B1 C41 103.2(4) . .
C13 P1 C7 103.6(2) . .
C13 P1 C1 108.5(2) . .
C7 P1 C1 108.7(2) . .
C13 P1 Rh1 103.63(17) . .
C7 P1 Rh1 118.26(19) . .
C1 P1 Rh1 113.18(18) . .
C19 Rh1 C22 172.72(19) . .
C19 Rh1 C20 37.83(18) . .
C22 Rh1 C20 147.7(2) . .
C19 Rh1 C23 148.62(19) . .
C22 Rh1 C23 36.77(19) . .
C20 Rh1 C23 110.99(19) . .
C19 Rh1 C24 37.19(19) . .
C22 Rh1 C24 143.4(2) . .
C20 Rh1 C24 62.96(18) . .
C23 Rh1 C24 150.14(18) . .
C19 Rh1 C21 143.5(2) . .
C22 Rh1 C21 36.85(19) . .
C20 Rh1 C21 150.08(18) . .
C23 Rh1 C21 62.79(19) . .
C24 Rh1 C21 106.77(19) . .
C19 Rh1 P1 82.56(14) . .
C22 Rh1 P1 90.80(15) . .
C20 Rh1 P1 100.66(13) . .
C23 Rh1 P1 106.58(13) . .
C24 Rh1 P1 103.27(13) . .
C21 Rh1 P1 109.17(13) . .
C19 Rh1 Rh1 94.00(13) . 2_566
C22 Rh1 Rh1 92.67(15) . 2_566
C20 Rh1 Rh1 76.13(13) . 2_566
C23 Rh1 Rh1 76.06(13) . 2_566
C24 Rh1 Rh1 74.12(13) . 2_566
C21 Rh1 Rh1 73.99(13) . 2_566
P1 Rh1 Rh1 176.51(4) . 2_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.525(7) .
C1 C6 1.533(8) .
C1 P1 1.846(5) .
C1 H1 1 .
C2 C3 1.526(7) .
C2 H2A 0.99 .
C2 H2B 0.99 .
C3 C4 1.501(8) .
C3 H3A 0.99 .
C3 H3B 0.99 .
C4 C5 1.505(9) .
C4 H4A 0.99 .
C4 H4B 0.99 .
C5 C6 1.529(8) .
C5 H5A 0.99 .
C5 H5B 0.99 .
C6 H6A 0.99 .
C6 H6B 0.99 .
C7 C8 1.542(8) .
C7 C12 1.542(8) .
C7 P1 1.832(5) .
C7 H7 1 .
C8 C9 1.525(8) .
C8 H8A 0.99 .
C8 H8B 0.99 .
C9 C10 1.545(9) .
C9 H9A 0.99 .
C9 H9B 0.99 .
C10 C11 1.503(10) .
C10 H10A 0.99 .
C10 H10B 0.99 .
C11 C12 1.525(8) .
C11 H11A 0.99 .
C11 H11B 0.99 .
C12 H12A 0.99 .
C12 H12B 0.99 .
C13 C14 1.382(7) .
C13 C18 1.403(7) .
C13 P1 1.821(5) .
C14 C15 1.374(8) .
C14 H14 0.95 .
C15 C16 1.393(8) .
C15 H15 0.95 .
C16 C17 1.356(7) .
C16 H16 0.95 .
C17 C18 1.407(7) .
C17 H17 0.95 .
C18 C19 1.486(7) .
C19 C24 1.413(7) .
C19 C20 1.420(7) .
C19 Rh1 2.091(5) .
C20 C21 1.434(7) 2_566
C20 Rh1 2.261(5) .
C20 H20 0.95 .
C21 C22 1.409(7) .
C21 C20 1.434(7) 2_566
C21 Rh1 2.302(5) .
C21 H21 0.95 .
C22 C23 1.401(7) .
C22 Rh1 2.121(5) .
C22 H22 0.95 .
C23 C24 1.431(7) 2_566
C23 Rh1 2.290(5) .
C23 H23 0.95 .
C24 C23 1.431(7) 2_566
C24 Rh1 2.298(5) .
C24 H24 0.95 .
C25 C30 1.398(7) .
C25 C26 1.399(7) .
C25 B1 1.644(8) .
C26 C27 1.385(7) .
C26 H26 0.95 .
C27 C28 1.407(7) .
C27 C31 1.477(8) .
C28 C29 1.373(7) .
C28 H28 0.95 .
C29 C30 1.403(7) .
C29 C32 1.478(7) .
C30 H30 0.95 .
C31 F6 1.292(7) .
C31 F2 1.293(7) .
C31 F1 1.333(8) .
C32 F4 1.322(6) .
C32 F5 1.332(6) .
C32 F3 1.341(6) .
C33 C34 1.389(7) .
C33 C38 1.405(8) .
C33 B1 1.647(8) .
C34 C35 1.385(8) .
C34 H34 0.95 .
C35 C36 1.386(8) .
C35 C40 1.481(8) .
C36 C37 1.389(8) .
C36 H36 0.95 .
C37 C38 1.380(8) .
C37 C39 1.495(8) .
C38 H38 0.95 .
C39 F7 1.326(7) .
C39 F8 1.331(7) .
C39 F9 1.345(7) .
C40 F12 1.329(7) .
C40 F11 1.332(7) .
C40 F10 1.337(7) .
C41 C42 1.384(8) .
C41 C46 1.398(7) .
C41 B1 1.658(8) .
C42 C43 1.389(7) .
C42 H42 0.95 .
C43 C44 1.400(8) .
C43 C48 1.486(8) .
C44 C45 1.374(8) .
C44 H44 0.95 .
C45 C46 1.393(7) .
C45 C47 1.494(8) .
C46 H46 0.95 .
C47 F13 1.294(7) .
C47 F15 1.318(7) .
C47 F14 1.334(7) .
C48 F18 1.284(7) .
C48 F16 1.322(7) .
C48 F17 1.337(8) .
C49 C54 1.382(7) .
C49 C50 1.401(7) .
C49 B1 1.629(8) .
C50 C51 1.385(8) .
C50 H50 0.95 .
C51 C52 1.374(8) .
C51 C55 1.494(8) .
C52 C53 1.404(8) .
C52 H52 0.95 .
C53 C54 1.384(8) .
C53 C56 1.487(8) .
C54 H54 0.95 .
C55 F20 1.340(7) .
C55 F21 1.340(7) .
C55 F19 1.344(7) .
C56 F24 1.331(7) .
C56 F22 1.337(7) .
C56 F23 1.346(6) .
P1 Rh1 2.3456(14) .
Rh1 Rh1 2.6099(8) 2_566
