# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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data_3a
_database_code_depnum_ccdc_archive 'CCDC 865050'
#TrackingRef '4a.cif'


#-----------------------------------------
# [Rh(PtBu2H)2(H3BPHtBu2)]BArF4.0.5(C6H4F2)
#-----------------------------------------


_audit_creation_method           SHELXL-97
_chemical_name_systematic        .
_chemical_name_common            .
_chemical_melting_point          'not mesoured'
_chemical_formula_moiety         
'C32 H12 B F24, C24 H60 B P3 Rh, 0.5(C6 H4.02 F2)'
_chemical_formula_sum            'C59 H74 B2 F25 P3 Rh'
_chemical_formula_weight         1475.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.85870(10)
_cell_length_b                   13.37690(10)
_cell_length_c                   20.23660(20)
_cell_angle_alpha                87.9016(4)
_cell_angle_beta                 80.6774(4)
_cell_angle_gamma                82.2782(5)
_cell_volume                     3403.373(50)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    13191
_cell_measurement_theta_min      5.097
_cell_measurement_theta_max      27.485

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.64
_exptl_crystal_size_min          0.54
_exptl_crystal_density_meas      'not mesoured'
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1506
_exptl_absorpt_coefficient_mu    0.426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor 1997)'

_exptl_special_details           .

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
__diffrn_measurement_device_type KappaCCD
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        .

_diffrn_reflns_number            23790
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         5.11
_diffrn_reflns_theta_max         27.52
_reflns_number_total             15457
_reflns_number_gt                13086
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

H1, H2, H3, H002, H001 were located on the Fourier difference map; their isotropic
displacement parameters were fixed to ride on the parent atoms.

Disorder of the phosphine borane ligands was treated by modelling the entire
ligand or part thereof over two sites and restraining their geometry.

Disorder of the solvent molecule was teated by modelling the flourine
substituent over three sites.

Rotational disorder of the CF3 groups of the anion was treated by modelling
the fluorine atoms over three sites and restraining their geometry.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+3.1722P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15457
_refine_ls_number_parameters     1082
_refine_ls_number_restraints     1028
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.1087
_refine_ls_wR_factor_gt          0.1014
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.138
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
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
P1 P 0.19862(8) 0.63250(9) 0.13281(5) 0.0307(3) Uani 0.701(3) 1 d PDU A 1
C1 C 0.0627(2) 0.6387(3) 0.18043(15) 0.0500(7) Uani 0.701(3) 1 d PDU A 1
C2 C 0.0326(4) 0.7478(4) 0.2122(3) 0.0577(12) Uani 0.701(3) 1 d PDU A 1
H2A H 0.0301 0.7989 0.1763 0.086 Uiso 0.701(3) 1 calc PR A 1
H2B H 0.0862 0.7600 0.2393 0.086 Uiso 0.701(3) 1 calc PR A 1
H2C H -0.0372 0.7518 0.2406 0.086 Uiso 0.701(3) 1 calc PR A 1
C3 C 0.0659(5) 0.5615(5) 0.2352(3) 0.0636(15) Uani 0.701(3) 1 d PDU A 1
H3A H 0.0852 0.4941 0.2159 0.095 Uiso 0.701(3) 1 calc PR A 1
H3B H -0.0041 0.5653 0.2633 0.095 Uiso 0.701(3) 1 calc PR A 1
H3C H 0.1189 0.5741 0.2627 0.095 Uiso 0.701(3) 1 calc PR A 1
C4 C -0.0203(7) 0.6193(11) 0.1372(5) 0.074(3) Uani 0.701(3) 1 d PDU A 1
H4A H -0.0236 0.6714 0.1020 0.111 Uiso 0.701(3) 1 calc PR A 1
H4B H -0.0901 0.6214 0.1654 0.111 Uiso 0.701(3) 1 calc PR A 1
H4C H -0.0001 0.5528 0.1167 0.111 Uiso 0.701(3) 1 calc PR A 1
C5 C 0.2189(2) 0.6786(2) 0.04670(14) 0.0493(7) Uani 0.701(3) 1 d PDU A 1
C6 C 0.1801(5) 0.7956(4) 0.0450(3) 0.0733(16) Uani 0.701(3) 1 d PDU A 1
H6A H 0.2157 0.8298 0.0752 0.110 Uiso 0.701(3) 1 calc PR A 1
H6B H 0.1030 0.8076 0.0595 0.110 Uiso 0.701(3) 1 calc PR A 1
H6C H 0.1974 0.8219 -0.0007 0.110 Uiso 0.701(3) 1 calc PR A 1
C7 C 0.3397(4) 0.6645(5) 0.0222(3) 0.0673(15) Uani 0.701(3) 1 d PDU A 1
H7A H 0.3749 0.6992 0.0524 0.101 Uiso 0.701(3) 1 calc PR A 1
H7B H 0.3543 0.6929 -0.0231 0.101 Uiso 0.701(3) 1 calc PR A 1
H7C H 0.3667 0.5924 0.0219 0.101 Uiso 0.701(3) 1 calc PR A 1
C8 C 0.1633(6) 0.6276(6) 0.0000(3) 0.0759(17) Uani 0.701(3) 1 d PDU A 1
H8A H 0.0866 0.6375 0.0158 0.114 Uiso 0.701(3) 1 calc PR A 1
H8B H 0.1892 0.5552 -0.0011 0.114 Uiso 0.701(3) 1 calc PR A 1
H8C H 0.1781 0.6568 -0.0452 0.114 Uiso 0.701(3) 1 calc PR A 1
P11 P 0.16699(18) 0.6987(2) 0.13661(11) 0.0310(7) Uani 0.299(3) 1 d PDU A 2
C101 C 0.0627(2) 0.6387(3) 0.18043(15) 0.0500(7) Uani 0.299(3) 1 d PDU A 2
C102 C 0.1104(10) 0.5275(7) 0.2055(7) 0.056(3) Uani 0.299(3) 1 d PDU A 2
H13A H 0.1655 0.5342 0.2327 0.084 Uiso 0.299(3) 1 calc PR A 2
H13B H 0.1413 0.4860 0.1665 0.084 Uiso 0.299(3) 1 calc PR A 2
H13C H 0.0532 0.4954 0.2324 0.084 Uiso 0.299(3) 1 calc PR A 2
C103 C -0.0197(17) 0.625(2) 0.1383(11) 0.076(6) Uani 0.299(3) 1 d PDU A 2
H13D H 0.0142 0.5877 0.0979 0.114 Uiso 0.299(3) 1 calc PR A 2
H13E H -0.0538 0.6911 0.1254 0.114 Uiso 0.299(3) 1 calc PR A 2
H13F H -0.0733 0.5870 0.1639 0.114 Uiso 0.299(3) 1 calc PR A 2
C104 C 0.0068(11) 0.6943(12) 0.2442(6) 0.080(4) Uani 0.299(3) 1 d PDU A 2
H13G H 0.0584 0.6988 0.2743 0.120 Uiso 0.299(3) 1 calc PR A 2
H13H H -0.0499 0.6571 0.2668 0.120 Uiso 0.299(3) 1 calc PR A 2
H13I H -0.0238 0.7624 0.2323 0.120 Uiso 0.299(3) 1 calc PR A 2
C105 C 0.2189(2) 0.6786(2) 0.04670(14) 0.0493(7) Uani 0.299(3) 1 d PDU A 2
C106 C 0.2709(9) 0.5620(7) 0.0415(5) 0.055(3) Uani 0.299(3) 1 d PDU A 2
H10A H 0.2159 0.5185 0.0567 0.082 Uiso 0.299(3) 1 calc PR A 2
H10B H 0.3266 0.5497 0.0697 0.082 Uiso 0.299(3) 1 calc PR A 2
H10C H 0.3019 0.5468 -0.0051 0.082 Uiso 0.299(3) 1 calc PR A 2
C107 C 0.1297(10) 0.6920(12) 0.0052(6) 0.069(3) Uani 0.299(3) 1 d PDU A 2
H10D H 0.0776 0.6464 0.0222 0.103 Uiso 0.299(3) 1 calc PR A 2
H10E H 0.1589 0.6765 -0.0416 0.103 Uiso 0.299(3) 1 calc PR A 2
H10F H 0.0950 0.7619 0.0082 0.103 Uiso 0.299(3) 1 calc PR A 2
C108 C 0.3056(9) 0.7410(10) 0.0268(6) 0.067(3) Uani 0.299(3) 1 d PDU A 2
H10G H 0.3583 0.7267 0.0570 0.100 Uiso 0.299(3) 1 calc PR A 2
H10H H 0.2765 0.8125 0.0293 0.100 Uiso 0.299(3) 1 calc PR A 2
H10I H 0.3397 0.7251 -0.0192 0.100 Uiso 0.299(3) 1 calc PR A 2
C9 C 0.2568(3) 1.0271(2) 0.24318(16) 0.0474(7) Uani 1 1 d . . .
C10 C 0.1426(3) 1.0014(3) 0.2607(2) 0.0652(10) Uani 1 1 d . . .
H101 H 0.1213 1.0013 0.3094 0.098 Uiso 1 1 calc R . .
H102 H 0.1392 0.9345 0.2435 0.098 Uiso 1 1 calc R . .
H103 H 0.0945 1.0518 0.2402 0.098 Uiso 1 1 calc R . .
C11 C 0.2900(3) 1.0274(3) 0.16701(16) 0.0617(9) Uani 1 1 d . . .
H11A H 0.3557 0.9809 0.1552 0.093 Uiso 1 1 calc R . .
H11B H 0.3021 1.0956 0.1513 0.093 Uiso 1 1 calc R . .
H11C H 0.2336 1.0057 0.1458 0.093 Uiso 1 1 calc R . .
C12 C 0.2595(3) 1.1317(2) 0.2711(2) 0.0665(10) Uani 1 1 d . . .
H12A H 0.2378 1.1303 0.3198 0.100 Uiso 1 1 calc R . .
H12B H 0.2106 1.1817 0.2510 0.100 Uiso 1 1 calc R . .
H12C H 0.3318 1.1497 0.2605 0.100 Uiso 1 1 calc R . .
C13 C 0.4904(2) 0.9349(2) 0.25637(16) 0.0432(7) Uani 1 1 d . . .
C14 C 0.5198(3) 1.0424(3) 0.25019(19) 0.0588(9) Uani 1 1 d . . .
H14A H 0.4947 1.0770 0.2928 0.088 Uiso 1 1 calc R . .
H14B H 0.4863 1.0791 0.2147 0.088 Uiso 1 1 calc R . .
H14C H 0.5971 1.0398 0.2391 0.088 Uiso 1 1 calc R . .
C15 C 0.5288(3) 0.8801(3) 0.19050(19) 0.0599(9) Uani 1 1 d . . .
H15A H 0.5098 0.8114 0.1950 0.090 Uiso 1 1 calc R . .
H15B H 0.6062 0.8773 0.1793 0.090 Uiso 1 1 calc R . .
H15C H 0.4953 0.9164 0.1549 0.090 Uiso 1 1 calc R . .
C16 C 0.5458(3) 0.8797(3) 0.3118(2) 0.0627(10) Uani 1 1 d . . .
H16A H 0.5211 0.9150 0.3542 0.094 Uiso 1 1 calc R . .
H16B H 0.6229 0.8787 0.2998 0.094 Uiso 1 1 calc R . .
H16C H 0.5286 0.8103 0.3167 0.094 Uiso 1 1 calc R . .
C17 C 0.1918(3) 0.7604(3) 0.43716(15) 0.0618(10) Uani 1 1 d . . .
C18 C 0.1682(3) 0.8760(4) 0.44143(18) 0.0787(13) Uani 1 1 d . . .
H18A H 0.1598 0.9046 0.3970 0.118 Uiso 1 1 calc R . .
H18B H 0.2272 0.9024 0.4571 0.118 Uiso 1 1 calc R . .
H18C H 0.1026 0.8945 0.4729 0.118 Uiso 1 1 calc R . .
C19 C 0.0990(3) 0.7199(5) 0.41227(19) 0.0941(18) Uani 1 1 d . . .
H19A H 0.0923 0.7474 0.3674 0.141 Uiso 1 1 calc R . .
H19B H 0.0329 0.7404 0.4430 0.141 Uiso 1 1 calc R . .
H19C H 0.1124 0.6461 0.4106 0.141 Uiso 1 1 calc R . .
C20 C 0.2036(4) 0.7198(4) 0.50761(17) 0.0856(15) Uani 1 1 d . . .
H20A H 0.2192 0.6461 0.5067 0.128 Uiso 1 1 calc R . .
H20B H 0.1373 0.7394 0.5383 0.128 Uiso 1 1 calc R . .
H20C H 0.2619 0.7480 0.5230 0.128 Uiso 1 1 calc R . .
C21 C 0.3858(3) 0.6008(3) 0.38045(19) 0.0608(10) Uani 1 1 d . . .
C22 C 0.3096(4) 0.5238(3) 0.3750(3) 0.0884(16) Uani 1 1 d . . .
H22A H 0.2510 0.5317 0.4127 0.133 Uiso 1 1 calc R . .
H22B H 0.3480 0.4554 0.3760 0.133 Uiso 1 1 calc R . .
H22C H 0.2813 0.5351 0.3329 0.133 Uiso 1 1 calc R . .
C23 C 0.4325(4) 0.5813(4) 0.4460(2) 0.0933(17) Uani 1 1 d . . .
H23A H 0.3748 0.5893 0.4843 0.140 Uiso 1 1 calc R . .
H23B H 0.4823 0.6296 0.4491 0.140 Uiso 1 1 calc R . .
H23C H 0.4699 0.5125 0.4462 0.140 Uiso 1 1 calc R . .
C24 C 0.4774(3) 0.5879(3) 0.3214(2) 0.0681(11) Uani 1 1 d . . .
H24A H 0.5267 0.6367 0.3247 0.102 Uiso 1 1 calc R . .
H24B H 0.4490 0.5994 0.2792 0.102 Uiso 1 1 calc R . .
H24C H 0.5153 0.5193 0.3223 0.102 Uiso 1 1 calc R . .
C201 C 0.72654(18) 0.21901(17) 0.31835(11) 0.0241(4) Uani 1 1 d . . .
C202 C 0.62425(19) 0.23762(18) 0.35548(11) 0.0269(5) Uani 1 1 d . . .
H202 H 0.5808 0.2988 0.3478 0.032 Uiso 1 1 calc R . .
C203 C 0.58410(19) 0.16891(19) 0.40348(12) 0.0305(5) Uani 1 1 d D B .
C204 C 0.6456(2) 0.07906(19) 0.41655(13) 0.0342(5) Uani 1 1 d . . .
H204 H 0.6182 0.0318 0.4487 0.041 Uiso 1 1 calc R . .
C205 C 0.7476(2) 0.06018(18) 0.38174(12) 0.0331(5) Uani 1 1 d D C .
C206 C 0.78677(19) 0.12880(17) 0.33380(12) 0.0275(5) Uani 1 1 d . . .
H206 H 0.8573 0.1137 0.3107 0.033 Uiso 1 1 calc R . .
C207 C 0.4731(2) 0.1884(2) 0.44086(13) 0.0420(6) Uani 1 1 d D . .
C208 C 0.8174(2) -0.0362(2) 0.39306(14) 0.0497(8) Uani 1 1 d D . .
C209 C 0.86430(18) 0.24095(17) 0.20480(11) 0.0250(4) Uani 1 1 d . . .
C210 C 0.8451(2) 0.15033(18) 0.17933(12) 0.0291(5) Uani 1 1 d . . .
H210 H 0.7832 0.1218 0.1987 0.035 Uiso 1 1 calc R . .
C211 C 0.9129(2) 0.1007(2) 0.12696(12) 0.0352(6) Uani 1 1 d D D .
C212 C 1.0032(2) 0.1408(2) 0.09597(12) 0.0373(6) Uani 1 1 d . . .
H212 H 1.0502 0.1067 0.0603 0.045 Uiso 1 1 calc R . .
C213 C 1.02234(19) 0.2317(2) 0.11873(12) 0.0333(5) Uani 1 1 d D E .
C214 C 0.95513(19) 0.28020(19) 0.17214(12) 0.0287(5) Uani 1 1 d . . .
H214 H 0.9713 0.3420 0.1870 0.034 Uiso 1 1 calc R . .
C215 C 0.8876(3) 0.0033(2) 0.10381(15) 0.0575(9) Uani 1 1 d D . .
C216 C 1.1163(2) 0.2810(2) 0.08546(14) 0.0493(7) Uani 1 1 d D . .
C217 C 0.83557(17) 0.37112(17) 0.30830(11) 0.0237(4) Uani 1 1 d . . .
C218 C 0.78614(19) 0.46500(17) 0.33353(11) 0.0265(5) Uani 1 1 d . . .
H218 H 0.7191 0.4914 0.3219 0.032 Uiso 1 1 calc R . .
C219 C 0.83213(19) 0.52081(18) 0.37512(12) 0.0292(5) Uani 1 1 d D F .
C220 C 0.9286(2) 0.48443(18) 0.39457(12) 0.0294(5) Uani 1 1 d . . .
H220 H 0.9597 0.5222 0.4232 0.035 Uiso 1 1 calc R . .
C221 C 0.97869(18) 0.39122(18) 0.37105(11) 0.0275(5) Uani 1 1 d . . .
C222 C 0.93366(18) 0.33632(17) 0.32835(11) 0.0257(5) Uani 1 1 d . . .
H222 H 0.9706 0.2734 0.3123 0.031 Uiso 1 1 calc R . .
C223 C 0.7757(2) 0.6207(2) 0.39969(14) 0.0425(6) Uani 1 1 d D . .
C224 C 1.0830(2) 0.3489(2) 0.39072(13) 0.0360(6) Uani 1 1 d . . .
C225 C 0.69326(18) 0.36664(17) 0.22229(11) 0.0243(4) Uani 1 1 d . . .
C226 C 0.60043(18) 0.33241(17) 0.20857(12) 0.0269(5) Uani 1 1 d . . .
H226 H 0.5815 0.2704 0.2281 0.032 Uiso 1 1 calc R . .
C227 C 0.53520(19) 0.38660(18) 0.16724(12) 0.0300(5) Uani 1 1 d D G .
C228 C 0.5599(2) 0.47761(19) 0.13771(12) 0.0309(5) Uani 1 1 d . . .
H228 H 0.5153 0.5147 0.1098 0.037 Uiso 1 1 calc R . .
C229 C 0.6510(2) 0.51258(18) 0.15004(12) 0.0294(5) Uani 1 1 d . . .
C230 C 0.71594(19) 0.45814(17) 0.19103(12) 0.0275(5) Uani 1 1 d . . .
H230 H 0.7784 0.4841 0.1982 0.033 Uiso 1 1 calc R . .
C231 C 0.4351(2) 0.3493(2) 0.15616(15) 0.0460(7) Uani 1 1 d D . .
C232 C 0.6820(2) 0.6102(2) 0.11892(16) 0.0444(7) Uani 1 1 d . . .
F1 F 0.4348(8) 0.2859(5) 0.4388(5) 0.070(2) Uani 0.53(2) 1 d PDU B 1
F2 F 0.4681(6) 0.1655(9) 0.5056(2) 0.064(2) Uani 0.53(2) 1 d PDU B 1
F3 F 0.4055(6) 0.1391(11) 0.4186(6) 0.087(3) Uani 0.53(2) 1 d PDU B 1
F101 F 0.4212(6) 0.1083(7) 0.4357(6) 0.065(2) Uani 0.47(2) 1 d PDU B 2
F102 F 0.4150(6) 0.2655(9) 0.4191(7) 0.082(3) Uani 0.47(2) 1 d PDU B 2
F103 F 0.4693(7) 0.1969(12) 0.5058(3) 0.068(3) Uani 0.47(2) 1 d PDU B 2
F4 F 0.7853(9) -0.0808(9) 0.4510(5) 0.080(3) Uani 0.52(4) 1 d PDU C 1
F5 F 0.9172(5) -0.0211(7) 0.3955(8) 0.066(2) Uani 0.52(4) 1 d PDU C 1
F6 F 0.8230(13) -0.1018(7) 0.3451(6) 0.075(3) Uani 0.52(4) 1 d PDU C 1
F104 F 0.8524(15) -0.0869(9) 0.3367(4) 0.077(3) Uani 0.48(4) 1 d PDU C 2
F105 F 0.7692(10) -0.0982(9) 0.4358(9) 0.088(3) Uani 0.48(4) 1 d PDU C 2
F106 F 0.9047(9) -0.0191(7) 0.4160(11) 0.078(3) Uani 0.48(4) 1 d PDU C 2
F7 F 0.8172(5) -0.0389(4) 0.1423(3) 0.098(2) Uani 0.676(8) 1 d PDU D 1
F8 F 0.8611(5) 0.0115(3) 0.0433(2) 0.0949(17) Uani 0.676(8) 1 d PDU D 1
F9 F 0.9768(4) -0.0633(3) 0.0928(4) 0.113(2) Uani 0.676(8) 1 d PDU D 1
F107 F 0.9525(8) -0.0428(7) 0.0580(5) 0.095(4) Uani 0.324(8) 1 d PDU D 2
F108 F 0.8793(10) -0.0631(5) 0.1550(4) 0.083(3) Uani 0.324(8) 1 d PDU D 2
F109 F 0.7907(7) 0.0123(6) 0.0860(7) 0.100(3) Uani 0.324(8) 1 d PDU D 2
F10 F 1.1858(7) 0.2214(6) 0.0445(6) 0.085(2) Uani 0.58(3) 1 d PDU E 1
F11 F 1.1714(8) 0.3111(12) 0.1309(3) 0.075(2) Uani 0.58(3) 1 d PDU E 1
F12 F 1.0872(6) 0.3644(6) 0.0521(6) 0.062(2) Uani 0.58(3) 1 d PDU E 1
F110 F 1.0893(8) 0.3779(6) 0.0704(9) 0.059(3) Uani 0.42(3) 1 d PDU E 2
F111 F 1.1593(14) 0.2378(11) 0.0265(7) 0.087(4) Uani 0.42(3) 1 d PDU E 2
F112 F 1.1925(9) 0.2765(14) 0.1216(8) 0.076(3) Uani 0.42(3) 1 d PDU E 2
F13 F 0.7152(7) 0.6683(4) 0.3603(4) 0.0654(17) Uani 0.67(2) 1 d PDU F 1
F14 F 0.8437(4) 0.6823(4) 0.4119(5) 0.0621(16) Uani 0.67(2) 1 d PDU F 1
F15 F 0.7143(7) 0.6093(3) 0.4598(3) 0.0739(19) Uani 0.67(2) 1 d PDU F 1
F113 F 0.8259(11) 0.6722(8) 0.4340(8) 0.068(4) Uani 0.33(2) 1 d PDU F 2
F114 F 0.6792(8) 0.6158(7) 0.4336(10) 0.082(4) Uani 0.33(2) 1 d PDU F 2
F115 F 0.7561(16) 0.6805(7) 0.3456(5) 0.074(4) Uani 0.33(2) 1 d PDU F 2
F16 F 1.08706(14) 0.25046(13) 0.40767(10) 0.0531(5) Uani 1 1 d U . .
F17 F 1.16453(12) 0.35526(15) 0.34116(9) 0.0503(4) Uani 1 1 d U . .
F18 F 1.10521(15) 0.39589(15) 0.44305(9) 0.0563(5) Uani 1 1 d U . .
F19 F 0.35409(17) 0.3789(3) 0.20277(15) 0.0960(11) Uani 0.958(4) 1 d PDU G 1
F20 F 0.4044(2) 0.3824(2) 0.09838(13) 0.0795(9) Uani 0.958(4) 1 d PDU G 1
F21 F 0.44376(18) 0.24985(15) 0.15382(15) 0.0729(8) Uani 0.958(4) 1 d PDU G 1
F119 F 0.4505(15) 0.285(3) 0.1063(17) 0.088(8) Uani 0.042(4) 1 d PDU G 2
F120 F 0.391(2) 0.300(3) 0.2096(11) 0.076(8) Uani 0.042(4) 1 d PDU G 2
F121 F 0.3613(16) 0.4218(11) 0.143(2) 0.076(8) Uani 0.042(4) 1 d PDU G 2
F22 F 0.77233(17) 0.59645(15) 0.07513(10) 0.0657(6) Uani 1 1 d U . .
F23 F 0.60676(19) 0.66139(16) 0.08854(13) 0.0817(8) Uani 1 1 d U . .
F24 F 0.70223(17) 0.67273(13) 0.16414(11) 0.0611(5) Uani 1 1 d U . .
P2 P 0.34506(6) 0.92682(5) 0.28319(3) 0.03297(15) Uani 1 1 d . . .
H02 H 0.3299 0.9396 0.3324 0.040 Uiso 1 1 calc R . .
P3 P 0.31679(6) 0.73390(6) 0.37542(3) 0.03880(17) Uani 1 1 d . . .
H03 H 0.3816(16) 0.7911(14) 0.3924(4) 0.047 Uiso 1 1 calc R . .
Rh01 Rh 0.304410(15) 0.773741(15) 0.270101(9) 0.02919(7) Uani 1 1 d . A .
B1 B 0.2961(3) 0.6827(3) 0.18391(16) 0.0405(7) Uani 1 1 d D . .
B2 B 0.7786(2) 0.30032(19) 0.26401(13) 0.0232(5) Uani 1 1 d . . .
C002 C 0.4656(4) 0.0987(4) 0.0135(2) 0.0784(12) Uani 1 1 d D . 1
H020 H 0.4417 0.1678 0.0228 0.094 Uiso 0.67 1 calc PR . 3
C001 C 0.5589(4) 0.0551(4) 0.0319(2) 0.0828(13) Uani 1 1 d D H 1
H010 H 0.5997 0.0932 0.0541 0.099 Uiso 0.67 1 calc PR H 3
C003 C 0.5930(4) -0.0455(4) 0.0178(2) 0.0810(12) Uani 1 1 d D . 1
H030 H 0.6579 -0.0769 0.0302 0.097 Uiso 0.67 1 calc PR . 3
F001 F 0.6154(5) 0.1062(5) 0.0673(4) 0.0736(18) Uani 0.33 1 d PDU I 2
F003 F 0.6816(7) -0.0890(8) 0.0390(6) 0.127(3) Uani 0.33 1 d PDU J 2
F002 F 0.4367(14) 0.1957(8) 0.0268(9) 0.198(6) Uani 0.33 1 d PDU K 2
H001 H 0.225(3) 0.534(3) 0.125(2) 0.036(11) Uiso 0.701(3) 1 d P A 1
H002 H 0.120(7) 0.801(7) 0.130(4) 0.03(2) Uiso 0.299(3) 1 d P A 2
H2 H 0.292(3) 0.771(3) 0.1781(17) 0.054(9) Uiso 1 1 d . . .
H3 H 0.372(3) 0.642(3) 0.1600(17) 0.057(10) Uiso 1 1 d . . .
H1 H 0.266(3) 0.654(2) 0.2425(16) 0.050(9) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
P1 0.0322(5) 0.0344(8) 0.0268(5) -0.0003(4) -0.0085(4) -0.0042(5)
C1 0.0337(14) 0.075(2) 0.0430(15) 0.0034(14) -0.0065(12) -0.0139(14)
C2 0.038(2) 0.075(3) 0.054(3) -0.012(2) 0.003(2) 0.005(2)
C3 0.062(3) 0.079(4) 0.052(3) 0.014(3) -0.001(2) -0.032(3)
C4 0.041(3) 0.116(5) 0.077(5) 0.009(4) -0.024(3) -0.034(3)
C5 0.0526(17) 0.0655(19) 0.0293(13) 0.0016(13) -0.0081(12) -0.0042(14)
C6 0.092(4) 0.070(3) 0.052(3) 0.023(2) -0.012(3) 0.008(3)
C7 0.062(3) 0.091(4) 0.041(2) 0.006(3) 0.008(2) -0.001(3)
C8 0.094(4) 0.105(5) 0.035(2) -0.010(3) -0.022(3) -0.018(4)
P11 0.0325(12) 0.0274(16) 0.0345(12) 0.0025(9) -0.0096(9) -0.0043(10)
C101 0.0337(14) 0.075(2) 0.0430(15) 0.0034(14) -0.0065(12) -0.0139(14)
C102 0.063(6) 0.059(6) 0.054(6) 0.014(5) -0.017(5) -0.034(5)
C103 0.060(9) 0.099(9) 0.072(9) -0.004(7) -0.013(7) -0.017(7)
C104 0.072(6) 0.093(7) 0.068(6) -0.002(6) 0.005(6) -0.007(6)
C105 0.0526(17) 0.0655(19) 0.0293(13) 0.0016(13) -0.0081(12) -0.0042(14)
C106 0.066(6) 0.057(5) 0.042(5) -0.018(4) -0.008(4) -0.006(5)
C107 0.079(7) 0.085(7) 0.044(5) 0.003(5) -0.025(5) 0.003(6)
C108 0.074(6) 0.069(6) 0.054(5) 0.016(5) 0.003(5) -0.016(5)
C9 0.0542(18) 0.0368(15) 0.0450(16) 0.0055(12) -0.0008(14) 0.0059(13)
C10 0.051(2) 0.059(2) 0.081(3) 0.0167(19) -0.0130(18) 0.0085(16)
C11 0.086(3) 0.0509(19) 0.0429(17) 0.0133(15) -0.0121(17) 0.0081(18)
C12 0.085(3) 0.0339(16) 0.070(2) -0.0026(16) 0.004(2) 0.0084(16)
C13 0.0431(15) 0.0353(14) 0.0512(17) 0.0031(12) -0.0012(13) -0.0139(12)
C14 0.067(2) 0.0453(18) 0.066(2) 0.0060(16) -0.0022(17) -0.0253(16)
C15 0.0446(17) 0.054(2) 0.075(2) -0.0126(17) 0.0153(16) -0.0108(15)
C16 0.0449(18) 0.061(2) 0.090(3) 0.0209(19) -0.0223(18) -0.0240(16)
C17 0.0547(19) 0.110(3) 0.0277(14) 0.0154(17) -0.0073(13) -0.041(2)
C18 0.063(2) 0.129(4) 0.0361(18) 0.001(2) 0.0118(16) -0.010(2)
C19 0.056(2) 0.194(6) 0.044(2) 0.003(3) -0.0051(17) -0.064(3)
C20 0.100(3) 0.141(4) 0.0322(17) 0.030(2) -0.0166(18) -0.075(3)
C21 0.078(2) 0.0476(18) 0.075(2) 0.0314(17) -0.054(2) -0.0310(17)
C22 0.114(4) 0.060(2) 0.118(4) 0.047(2) -0.078(3) -0.053(2)
C23 0.121(4) 0.085(3) 0.103(3) 0.052(3) -0.089(3) -0.044(3)
C24 0.068(2) 0.0432(18) 0.102(3) 0.0077(19) -0.048(2) -0.0007(16)
C201 0.0280(11) 0.0229(10) 0.0223(10) -0.0025(8) -0.0041(9) -0.0065(9)
C202 0.0293(11) 0.0257(11) 0.0250(11) -0.0031(9) -0.0024(9) -0.0032(9)
C203 0.0305(12) 0.0353(13) 0.0254(11) -0.0008(10) 0.0005(9) -0.0090(10)
C204 0.0414(14) 0.0317(13) 0.0294(12) 0.0041(10) 0.0003(10) -0.0123(11)
C205 0.0401(14) 0.0273(12) 0.0312(12) 0.0039(10) -0.0044(10) -0.0043(10)
C206 0.0274(11) 0.0269(11) 0.0274(11) 0.0002(9) -0.0018(9) -0.0039(9)
C207 0.0376(14) 0.0509(17) 0.0350(14) -0.0010(12) 0.0068(11) -0.0114(13)
C208 0.0581(19) 0.0336(15) 0.0511(18) 0.0129(13) 0.0001(15) 0.0031(13)
C209 0.0260(11) 0.0264(11) 0.0224(10) 0.0017(9) -0.0042(9) -0.0027(9)
C210 0.0327(12) 0.0302(12) 0.0246(11) -0.0014(9) -0.0029(9) -0.0062(10)
C211 0.0472(15) 0.0326(13) 0.0246(12) -0.0038(10) -0.0059(11) 0.0004(11)
C212 0.0419(14) 0.0413(14) 0.0228(11) -0.0025(10) 0.0010(10) 0.0088(11)
C213 0.0287(12) 0.0418(14) 0.0263(12) 0.0059(10) 0.0002(10) -0.0002(10)
C214 0.0294(12) 0.0310(12) 0.0252(11) 0.0010(9) -0.0027(9) -0.0042(9)
C215 0.084(3) 0.0395(17) 0.0461(18) -0.0154(14) 0.0017(17) -0.0062(17)
C216 0.0370(15) 0.0600(19) 0.0439(16) 0.0065(14) 0.0100(13) -0.0033(14)
C217 0.0248(11) 0.0251(11) 0.0212(10) 0.0019(8) -0.0009(8) -0.0071(9)
C218 0.0276(11) 0.0255(11) 0.0264(11) -0.0003(9) -0.0035(9) -0.0043(9)
C219 0.0351(13) 0.0256(11) 0.0273(11) -0.0015(9) -0.0040(10) -0.0069(10)
C220 0.0342(12) 0.0304(12) 0.0264(11) -0.0006(9) -0.0070(10) -0.0109(10)
C221 0.0277(11) 0.0319(12) 0.0236(11) 0.0033(9) -0.0037(9) -0.0076(9)
C222 0.0285(11) 0.0250(11) 0.0233(11) 0.0013(9) -0.0016(9) -0.0060(9)
C223 0.0469(16) 0.0336(14) 0.0486(16) -0.0113(12) -0.0123(13) -0.0023(12)
C224 0.0335(13) 0.0410(14) 0.0358(13) -0.0001(11) -0.0092(11) -0.0082(11)
C225 0.0253(11) 0.0239(11) 0.0225(10) -0.0021(8) -0.0002(8) -0.0030(8)
C226 0.0276(11) 0.0255(11) 0.0279(11) -0.0003(9) -0.0040(9) -0.0053(9)
C227 0.0282(12) 0.0304(12) 0.0325(12) -0.0008(10) -0.0078(10) -0.0035(9)
C228 0.0312(12) 0.0305(12) 0.0307(12) 0.0010(10) -0.0079(10) 0.0006(10)
C229 0.0332(12) 0.0269(12) 0.0271(11) 0.0019(9) -0.0035(10) -0.0026(9)
C230 0.0273(11) 0.0273(11) 0.0281(11) -0.0001(9) -0.0029(9) -0.0065(9)
C231 0.0413(16) 0.0427(16) 0.0598(19) 0.0077(14) -0.0235(14) -0.0104(13)
C232 0.0472(16) 0.0385(15) 0.0496(17) 0.0153(13) -0.0146(13) -0.0096(12)
F1 0.054(4) 0.063(3) 0.073(4) 0.006(3) 0.030(3) 0.014(2)
F2 0.066(3) 0.079(4) 0.034(3) 0.017(2) 0.021(2) -0.004(3)
F3 0.038(3) 0.142(6) 0.081(4) -0.051(5) 0.005(3) -0.024(4)
F101 0.038(3) 0.070(4) 0.086(5) -0.008(3) 0.017(3) -0.028(3)
F102 0.034(3) 0.096(5) 0.097(6) 0.054(4) 0.018(3) 0.014(3)
F103 0.057(3) 0.101(6) 0.044(3) -0.030(3) 0.007(3) -0.009(3)
F4 0.091(4) 0.067(4) 0.067(4) 0.043(3) 0.006(3) 0.016(3)
F5 0.041(3) 0.062(4) 0.088(5) 0.032(3) -0.010(3) 0.007(2)
F6 0.100(5) 0.036(3) 0.087(5) -0.010(3) -0.024(4) 0.012(3)
F104 0.107(6) 0.038(3) 0.066(4) -0.005(3) 0.014(4) 0.024(4)
F105 0.089(5) 0.040(3) 0.113(6) 0.039(4) 0.029(4) 0.006(3)
F106 0.080(5) 0.067(4) 0.085(6) 0.002(4) -0.032(4) 0.022(4)
F7 0.132(4) 0.077(3) 0.083(3) -0.047(2) 0.048(3) -0.068(3)
F8 0.145(4) 0.091(3) 0.062(2) -0.031(2) -0.023(3) -0.048(3)
F9 0.140(4) 0.044(2) 0.147(5) -0.031(3) -0.021(4) 0.015(2)
F107 0.131(7) 0.077(6) 0.067(5) -0.056(4) 0.045(5) -0.033(5)
F108 0.152(8) 0.038(3) 0.066(4) 0.005(3) -0.019(5) -0.031(5)
F109 0.111(6) 0.072(5) 0.136(8) -0.028(5) -0.062(6) -0.023(4)
F10 0.047(3) 0.097(4) 0.088(4) 0.005(3) 0.036(3) 0.009(3)
F11 0.038(3) 0.124(6) 0.069(3) 0.008(3) -0.006(2) -0.035(3)
F12 0.054(3) 0.074(3) 0.057(4) 0.026(3) 0.001(2) -0.021(2)
F110 0.059(4) 0.050(3) 0.059(5) 0.015(3) 0.013(3) -0.008(3)
F111 0.090(6) 0.085(5) 0.070(5) -0.017(4) 0.055(4) -0.024(4)
F112 0.031(3) 0.097(6) 0.100(6) 0.042(4) -0.014(3) -0.016(4)
F13 0.075(3) 0.0408(19) 0.088(3) -0.0275(19) -0.054(3) 0.0231(19)
F14 0.064(2) 0.0298(18) 0.100(4) -0.018(2) -0.031(2) -0.0076(15)
F15 0.084(3) 0.061(2) 0.063(3) -0.0213(19) 0.019(2) 0.010(2)
F113 0.103(7) 0.043(5) 0.069(6) -0.030(4) -0.057(5) 0.010(4)
F114 0.069(5) 0.063(5) 0.105(7) -0.042(5) 0.014(5) 0.003(4)
F115 0.095(8) 0.045(4) 0.077(5) -0.007(3) -0.029(5) 0.027(4)
F16 0.0437(9) 0.0456(10) 0.0728(12) 0.0152(9) -0.0243(9) -0.0017(8)
F17 0.0286(8) 0.0686(12) 0.0536(10) -0.0023(9) -0.0032(7) -0.0090(8)
F18 0.0507(10) 0.0733(12) 0.0502(10) -0.0185(9) -0.0288(8) 0.0023(9)
F19 0.0354(11) 0.145(3) 0.110(2) -0.0349(19) 0.0055(12) -0.0327(14)
F20 0.0771(16) 0.0930(18) 0.0905(18) 0.0385(15) -0.0623(15) -0.0424(14)
F21 0.0734(14) 0.0447(11) 0.120(2) 0.0136(12) -0.0610(14) -0.0265(10)
F119 0.088(11) 0.085(11) 0.099(11) -0.006(9) -0.028(9) -0.022(9)
F120 0.060(11) 0.083(11) 0.091(11) 0.001(9) -0.022(9) -0.024(9)
F121 0.063(11) 0.088(11) 0.081(11) 0.003(9) -0.018(9) -0.021(9)
F22 0.0748(13) 0.0617(12) 0.0579(12) 0.0148(10) 0.0097(10) -0.0277(10)
F23 0.0818(15) 0.0603(13) 0.1183(19) 0.0545(13) -0.0596(14) -0.0269(11)
F24 0.0783(13) 0.0317(9) 0.0779(14) 0.0036(9) -0.0197(11) -0.0159(9)
P2 0.0402(4) 0.0300(3) 0.0274(3) 0.0023(2) -0.0005(3) -0.0063(3)
P3 0.0421(4) 0.0507(4) 0.0313(3) 0.0176(3) -0.0178(3) -0.0247(3)
Rh01 0.03055(11) 0.03341(11) 0.02501(10) 0.00680(7) -0.00691(7) -0.00815(8)
B1 0.0419(17) 0.0528(19) 0.0320(15) -0.0009(14) -0.0114(13) -0.0185(15)
B2 0.0226(11) 0.0221(11) 0.0249(12) 0.0002(9) -0.0029(9) -0.0043(9)
C002 0.098(4) 0.078(3) 0.057(2) -0.001(2) 0.005(2) -0.025(3)
C001 0.089(3) 0.101(4) 0.062(3) -0.007(2) 0.003(2) -0.041(3)
C003 0.082(3) 0.100(4) 0.060(2) -0.006(2) 0.000(2) -0.018(3)
F001 0.065(4) 0.074(4) 0.088(4) -0.027(3) -0.012(3) -0.025(3)
F003 0.096(6) 0.136(7) 0.147(7) -0.040(6) -0.012(6) -0.008(5)
F002 0.199(10) 0.199(10) 0.192(10) 0.007(8) -0.029(8) -0.014(8)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
P1 C5 1.817(3) . ?
P1 C1 1.847(3) . ?
P1 B1 1.946(3) . ?
P1 H001 1.32(4) . ?
C1 C3 1.490(6) . ?
C1 C4 1.538(7) . ?
C1 C2 1.590(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C8 1.506(6) . ?
C5 C7 1.540(6) . ?
C5 C6 1.578(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
P11 B1 2.030(4) . ?
P11 H002 1.43(9) . ?
C102 H13A 0.9800 . ?
C102 H13B 0.9800 . ?
C102 H13C 0.9800 . ?
C103 H13D 0.9800 . ?
C103 H13E 0.9800 . ?
C103 H13F 0.9800 . ?
C104 H13G 0.9800 . ?
C104 H13H 0.9800 . ?
C104 H13I 0.9800 . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 H10C 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C9 C11 1.531(4) . ?
C9 C12 1.534(5) . ?
C9 C10 1.536(5) . ?
C9 P2 1.885(3) . ?
C10 H101 0.9800 . ?
C10 H102 0.9800 . ?
C10 H103 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.523(5) . ?
C13 C14 1.531(4) . ?
C13 C16 1.539(5) . ?
C13 P2 1.876(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C20 1.530(4) . ?
C17 C19 1.536(5) . ?
C17 C18 1.537(6) . ?
C17 P3 1.871(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.532(4) . ?
C21 C24 1.533(6) . ?
C21 C23 1.541(5) . ?
C21 P3 1.887(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C201 C206 1.398(3) . ?
C201 C202 1.401(3) . ?
C201 B2 1.646(3) . ?
C202 C203 1.398(3) . ?
C202 H202 0.9500 . ?
C203 C204 1.389(4) . ?
C203 C207 1.497(4) . ?
C204 C205 1.380(4) . ?
C204 H204 0.9500 . ?
C205 C206 1.392(3) . ?
C205 C208 1.502(4) . ?
C206 H206 0.9500 . ?
C207 F102 1.296(5) . ?
C207 F3 1.303(5) . ?
C207 F103 1.316(5) . ?
C207 F2 1.328(5) . ?
C207 F1 1.332(5) . ?
C207 F101 1.352(5) . ?
C208 F105 1.316(5) . ?
C208 F6 1.318(5) . ?
C208 F4 1.327(5) . ?
C208 F104 1.330(6) . ?
C208 F106 1.332(6) . ?
C208 F5 1.335(5) . ?
C209 C210 1.401(3) . ?
C209 C214 1.402(3) . ?
C209 B2 1.639(3) . ?
C210 C211 1.386(3) . ?
C210 H210 0.9500 . ?
C211 C212 1.391(4) . ?
C211 C215 1.494(4) . ?
C212 C213 1.382(4) . ?
C212 H212 0.9500 . ?
C213 C214 1.391(3) . ?
C213 C216 1.505(4) . ?
C214 H214 0.9500 . ?
C215 F107 1.260(5) . ?
C215 F7 1.273(4) . ?
C215 F8 1.321(4) . ?
C215 F108 1.340(6) . ?
C215 F109 1.342(6) . ?
C215 F9 1.348(5) . ?
C216 F112 1.309(6) . ?
C216 F10 1.318(5) . ?
C216 F12 1.325(5) . ?
C216 F110 1.334(6) . ?
C216 F111 1.346(6) . ?
C216 F11 1.351(5) . ?
C217 C222 1.402(3) . ?
C217 C218 1.403(3) . ?
C217 B2 1.642(3) . ?
C218 C219 1.393(3) . ?
C218 H218 0.9500 . ?
C219 C220 1.383(3) . ?
C219 C223 1.494(4) . ?
C220 C221 1.387(3) . ?
C220 H220 0.9500 . ?
C221 C222 1.394(3) . ?
C221 C224 1.493(4) . ?
C222 H222 0.9500 . ?
C223 F113 1.293(6) . ?
C223 F13 1.294(4) . ?
C223 F114 1.325(6) . ?
C223 F14 1.335(4) . ?
C223 F15 1.354(4) . ?
C223 F115 1.367(6) . ?
C224 F17 1.338(3) . ?
C224 F18 1.339(3) . ?
C224 F16 1.345(3) . ?
C225 C230 1.401(3) . ?
C225 C226 1.405(3) . ?
C225 B2 1.640(3) . ?
C226 C227 1.396(3) . ?
C226 H226 0.9500 . ?
C227 C228 1.389(3) . ?
C227 C231 1.493(4) . ?
C228 C229 1.380(3) . ?
C228 H228 0.9500 . ?
C229 C230 1.390(3) . ?
C229 C232 1.503(4) . ?
C230 H230 0.9500 . ?
C231 F19 1.316(4) . ?
C231 F121 1.317(7) . ?
C231 F21 1.322(3) . ?
C231 F119 1.323(7) . ?
C231 F120 1.329(7) . ?
C231 F20 1.336(3) . ?
C232 F23 1.329(3) . ?
C232 F22 1.338(4) . ?
C232 F24 1.340(4) . ?
P2 Rh01 2.2155(7) . ?
P2 H02 1.0000 . ?
P3 Rh01 2.2035(7) . ?
P3 H03 1.2970 . ?
Rh01 B1 2.188(3) . ?
Rh01 H2 1.90(3) . ?
Rh01 H1 1.87(3) . ?
B1 H2 1.17(3) . ?
B1 H3 1.10(4) . ?
B1 H1 1.25(3) . ?
C002 C003 1.345(7) 2_655 ?
C002 C001 1.364(7) . ?
C002 H020 0.9500 . ?
C001 C003 1.383(7) . ?
C001 H010 0.9500 . ?
C003 C002 1.345(7) 2_655 ?
C003 H030 0.9500 . ?

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
C5 P1 C1 119.95(14) . . ?
C5 P1 B1 110.91(15) . . ?
C1 P1 B1 112.09(15) . . ?
C5 P1 H001 101.5(18) . . ?
C1 P1 H001 101.6(18) . . ?
B1 P1 H001 109.4(18) . . ?
C3 C1 C4 109.8(6) . . ?
C3 C1 C2 109.2(4) . . ?
C4 C1 C2 109.9(6) . . ?
C3 C1 P1 107.2(3) . . ?
C4 C1 P1 113.2(5) . . ?
C2 C1 P1 107.5(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C8 C5 C7 110.1(4) . . ?
C8 C5 C6 108.5(4) . . ?
C7 C5 C6 107.0(4) . . ?
C8 C5 P1 114.6(3) . . ?
C7 C5 P1 106.9(3) . . ?
C6 C5 P1 109.3(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
B1 P11 H002 114(3) . . ?
H13A C102 H13B 109.5 . . ?
H13A C102 H13C 109.5 . . ?
H13B C102 H13C 109.5 . . ?
H13D C103 H13E 109.5 . . ?
H13D C103 H13F 109.5 . . ?
H13E C103 H13F 109.5 . . ?
H13G C104 H13H 109.5 . . ?
H13G C104 H13I 109.5 . . ?
H13H C104 H13I 109.5 . . ?
H10A C106 H10B 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C11 C9 C12 110.5(3) . . ?
C11 C9 C10 109.4(3) . . ?
C12 C9 C10 108.1(3) . . ?
C11 C9 P2 110.2(2) . . ?
C12 C9 P2 111.3(2) . . ?
C10 C9 P2 107.3(2) . . ?
C9 C10 H101 109.5 . . ?
C9 C10 H102 109.5 . . ?
H101 C10 H102 109.5 . . ?
C9 C10 H103 109.5 . . ?
H101 C10 H103 109.5 . . ?
H102 C10 H103 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C14 110.1(3) . . ?
C15 C13 C16 109.4(3) . . ?
C14 C13 C16 107.7(3) . . ?
C15 C13 P2 109.5(2) . . ?
C14 C13 P2 114.6(2) . . ?
C16 C13 P2 105.4(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C20 C17 C19 110.8(3) . . ?
C20 C17 C18 107.2(3) . . ?
C19 C17 C18 108.9(4) . . ?
C20 C17 P3 113.1(3) . . ?
C19 C17 P3 110.7(3) . . ?
C18 C17 P3 105.8(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C24 109.1(4) . . ?
C22 C21 C23 109.4(3) . . ?
C24 C21 C23 108.5(3) . . ?
C22 C21 P3 111.0(3) . . ?
C24 C21 P3 107.2(2) . . ?
C23 C21 P3 111.6(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C206 C201 C202 115.7(2) . . ?
C206 C201 B2 120.7(2) . . ?
C202 C201 B2 123.4(2) . . ?
C203 C202 C201 122.0(2) . . ?
C203 C202 H202 119.0 . . ?
C201 C202 H202 119.0 . . ?
C204 C203 C202 120.6(2) . . ?
C204 C203 C207 118.1(2) . . ?
C202 C203 C207 121.3(2) . . ?
C205 C204 C203 118.4(2) . . ?
C205 C204 H204 120.8 . . ?
C203 C204 H204 120.8 . . ?
C204 C205 C206 120.6(2) . . ?
C204 C205 C208 120.8(2) . . ?
C206 C205 C208 118.5(2) . . ?
C205 C206 C201 122.6(2) . . ?
C205 C206 H206 118.7 . . ?
C201 C206 H206 118.7 . . ?
F102 C207 F3 82.4(6) . . ?
F102 C207 F103 108.8(5) . . ?
F3 C207 F103 119.7(6) . . ?
F102 C207 F2 122.4(7) . . ?
F3 C207 F2 106.7(5) . . ?
F103 C207 F2 18.4(7) . . ?
F102 C207 F1 26.2(6) . . ?
F3 C207 F1 106.7(5) . . ?
F103 C207 F1 88.0(6) . . ?
F2 C207 F1 104.9(4) . . ?
F102 C207 F101 105.6(5) . . ?
F3 C207 F101 24.5(6) . . ?
F103 C207 F101 103.8(4) . . ?
F2 C207 F101 87.4(6) . . ?
F1 C207 F101 127.7(5) . . ?
F102 C207 C203 114.8(4) . . ?
F3 C207 C203 114.2(4) . . ?
F103 C207 C203 113.2(4) . . ?
F2 C207 C203 112.2(4) . . ?
F1 C207 C203 111.5(4) . . ?
F101 C207 C203 109.8(4) . . ?
F105 C208 F6 89.5(8) . . ?
F105 C208 F4 20.9(9) . . ?
F6 C208 F4 108.0(5) . . ?
F105 C208 F104 106.8(5) . . ?
F6 C208 F104 19.8(8) . . ?
F4 C208 F104 122.9(7) . . ?
F105 C208 F106 107.4(5) . . ?
F6 C208 F106 120.6(7) . . ?
F4 C208 F106 89.2(8) . . ?
F104 C208 F106 105.1(5) . . ?
F105 C208 F5 120.9(8) . . ?
F6 C208 F5 106.3(5) . . ?
F4 C208 F5 105.0(5) . . ?
F104 C208 F5 88.8(8) . . ?
F106 C208 F5 18.1(8) . . ?
F105 C208 C205 113.0(4) . . ?
F6 C208 C205 112.4(4) . . ?
F4 C208 C205 112.5(4) . . ?
F104 C208 C205 112.2(4) . . ?
F106 C208 C205 111.8(5) . . ?
F5 C208 C205 112.3(4) . . ?
C210 C209 C214 115.4(2) . . ?
C210 C209 B2 120.9(2) . . ?
C214 C209 B2 123.4(2) . . ?
C211 C210 C209 122.5(2) . . ?
C211 C210 H210 118.7 . . ?
C209 C210 H210 118.7 . . ?
C210 C211 C212 120.8(2) . . ?
C210 C211 C215 119.0(2) . . ?
C212 C211 C215 120.2(2) . . ?
C213 C212 C211 117.9(2) . . ?
C213 C212 H212 121.1 . . ?
C211 C212 H212 121.1 . . ?
C212 C213 C214 121.1(2) . . ?
C212 C213 C216 120.4(2) . . ?
C214 C213 C216 118.5(2) . . ?
C213 C214 C209 122.2(2) . . ?
C213 C214 H214 118.9 . . ?
C209 C214 H214 118.9 . . ?
F107 C215 F7 123.1(5) . . ?
F107 C215 F8 63.9(5) . . ?
F7 C215 F8 108.4(4) . . ?
F107 C215 F108 104.7(5) . . ?
F7 C215 F108 39.9(4) . . ?
F8 C215 F108 136.5(5) . . ?
F107 C215 F109 108.0(5) . . ?
F7 C215 F109 63.4(5) . . ?
F8 C215 F109 51.0(5) . . ?
F108 C215 F109 102.5(5) . . ?
F107 C215 F9 37.3(5) . . ?
F7 C215 F9 108.0(4) . . ?
F8 C215 F9 100.8(3) . . ?
F108 C215 F9 74.5(5) . . ?
F109 C215 F9 136.0(5) . . ?
F107 C215 C211 118.1(4) . . ?
F7 C215 C211 116.5(3) . . ?
F8 C215 C211 112.1(3) . . ?
F108 C215 C211 109.9(4) . . ?
F109 C215 C211 112.3(4) . . ?
F9 C215 C211 109.8(3) . . ?
F112 C216 F10 84.7(7) . . ?
F112 C216 F12 121.2(7) . . ?
F10 C216 F12 108.4(4) . . ?
F112 C216 F110 107.4(5) . . ?
F10 C216 F110 121.8(7) . . ?
F12 C216 F110 18.4(7) . . ?
F112 C216 F111 106.9(5) . . ?
F10 C216 F111 24.1(8) . . ?
F12 C216 F111 88.6(7) . . ?
F110 C216 F111 105.0(5) . . ?
F112 C216 F11 22.9(6) . . ?
F10 C216 F11 105.6(4) . . ?
F12 C216 F11 104.8(4) . . ?
F110 C216 F11 88.3(7) . . ?
F111 C216 F11 125.4(7) . . ?
F112 C216 C213 113.4(5) . . ?
F10 C216 C213 113.9(4) . . ?
F12 C216 C213 112.1(4) . . ?
F110 C216 C213 112.2(5) . . ?
F111 C216 C213 111.3(4) . . ?
F11 C216 C213 111.5(3) . . ?
C222 C217 C218 115.7(2) . . ?
C222 C217 B2 121.1(2) . . ?
C218 C217 B2 122.9(2) . . ?
C219 C218 C217 122.2(2) . . ?
C219 C218 H218 118.9 . . ?
C217 C218 H218 118.9 . . ?
C220 C219 C218 120.9(2) . . ?
C220 C219 C223 119.6(2) . . ?
C218 C219 C223 119.5(2) . . ?
C219 C220 C221 118.1(2) . . ?
C219 C220 H220 120.9 . . ?
C221 C220 H220 120.9 . . ?
C220 C221 C222 120.9(2) . . ?
C220 C221 C224 120.0(2) . . ?
C222 C221 C224 119.1(2) . . ?
C221 C222 C217 122.1(2) . . ?
C221 C222 H222 119.0 . . ?
C217 C222 H222 119.0 . . ?
F113 C223 F13 118.9(6) . . ?
F113 C223 F114 108.4(5) . . ?
F13 C223 F114 77.6(7) . . ?
F113 C223 F14 21.4(7) . . ?
F13 C223 F14 107.8(4) . . ?
F114 C223 F14 126.2(6) . . ?
F113 C223 F15 83.2(6) . . ?
F13 C223 F15 107.3(3) . . ?
F114 C223 F15 32.2(7) . . ?
F14 C223 F15 104.2(3) . . ?
F113 C223 F115 105.6(5) . . ?
F13 C223 F115 25.9(6) . . ?
F114 C223 F115 103.0(5) . . ?
F14 C223 F115 88.7(7) . . ?
F15 C223 F115 130.4(6) . . ?
F113 C223 C219 116.5(5) . . ?
F13 C223 C219 115.1(3) . . ?
F114 C223 C219 113.5(4) . . ?
F14 C223 C219 111.6(3) . . ?
F15 C223 C219 110.1(3) . . ?
F115 C223 C219 108.7(4) . . ?
F17 C224 F18 106.3(2) . . ?
F17 C224 F16 105.7(2) . . ?
F18 C224 F16 106.6(2) . . ?
F17 C224 C221 112.6(2) . . ?
F18 C224 C221 112.9(2) . . ?
F16 C224 C221 112.3(2) . . ?
C230 C225 C226 115.3(2) . . ?
C230 C225 B2 120.6(2) . . ?
C226 C225 B2 123.78(19) . . ?
C227 C226 C225 122.1(2) . . ?
C227 C226 H226 118.9 . . ?
C225 C226 H226 118.9 . . ?
C228 C227 C226 120.9(2) . . ?
C228 C227 C231 118.9(2) . . ?
C226 C227 C231 120.2(2) . . ?
C229 C228 C227 118.2(2) . . ?
C229 C228 H228 120.9 . . ?
C227 C228 H228 120.9 . . ?
C228 C229 C230 120.8(2) . . ?
C228 C229 C232 120.4(2) . . ?
C230 C229 C232 118.9(2) . . ?
C229 C230 C225 122.8(2) . . ?
C229 C230 H230 118.6 . . ?
C225 C230 H230 118.6 . . ?
F19 C231 F121 60(2) . . ?
F19 C231 F21 107.3(3) . . ?
F121 C231 F21 132.9(8) . . ?
F19 C231 F119 134.1(8) . . ?
F121 C231 F119 106.4(7) . . ?
F21 C231 F119 47(2) . . ?
F19 C231 F120 50(2) . . ?
F121 C231 F120 105.9(7) . . ?
F21 C231 F120 62(2) . . ?
F119 C231 F120 105.7(7) . . ?
F19 C231 F20 105.3(3) . . ?
F121 C231 F20 49(2) . . ?
F21 C231 F20 105.2(2) . . ?
F119 C231 F20 62(2) . . ?
F120 C231 F20 134.6(8) . . ?
F19 C231 C227 112.6(2) . . ?
F121 C231 C227 113.4(7) . . ?
F21 C231 C227 113.0(2) . . ?
F119 C231 C227 112.8(7) . . ?
F120 C231 C227 112.0(7) . . ?
F20 C231 C227 112.9(2) . . ?
F23 C232 F22 108.7(3) . . ?
F23 C232 F24 106.0(3) . . ?
F22 C232 F24 104.1(2) . . ?
F23 C232 C229 112.9(2) . . ?
F22 C232 C229 112.2(2) . . ?
F24 C232 C229 112.4(2) . . ?
C13 P2 C9 113.16(14) . . ?
C13 P2 Rh01 112.19(9) . . ?
C9 P2 Rh01 111.90(11) . . ?
C13 P2 H02 106.3 . . ?
C9 P2 H02 106.3 . . ?
Rh01 P2 H02 106.3 . . ?
C17 P3 C21 113.92(19) . . ?
C17 P3 Rh01 116.22(11) . . ?
C21 P3 Rh01 109.30(12) . . ?
C17 P3 H03 105.5 . . ?
C21 P3 H03 105.5 . . ?
Rh01 P3 H03 105.5 . . ?
B1 Rh01 P3 132.34(9) . . ?
B1 Rh01 P2 134.88(9) . . ?
P3 Rh01 P2 91.12(3) . . ?
B1 Rh01 H2 32.3(10) . . ?
P3 Rh01 H2 164.6(10) . . ?
P2 Rh01 H2 104.0(10) . . ?
B1 Rh01 H1 34.8(10) . . ?
P3 Rh01 H1 99.9(10) . . ?
P2 Rh01 H1 168.9(10) . . ?
H2 Rh01 H1 65.1(14) . . ?
P1 B1 P11 26.76(8) . . ?
P1 B1 Rh01 143.69(19) . . ?
P11 B1 Rh01 122.3(2) . . ?
P1 B1 H2 110.6(16) . . ?
P11 B1 H2 85.5(16) . . ?
Rh01 B1 H2 60.0(16) . . ?
P1 B1 H3 100.6(18) . . ?
P11 B1 H3 120.6(18) . . ?
Rh01 B1 H3 115.4(18) . . ?
H2 B1 H3 113(2) . . ?
P1 B1 H1 103.7(15) . . ?
P11 B1 H1 107.1(15) . . ?
Rh01 B1 H1 58.6(15) . . ?
H2 B1 H1 114(2) . . ?
H3 B1 H1 114(2) . . ?
C209 B2 C225 103.02(18) . . ?
C209 B2 C217 111.97(18) . . ?
C225 B2 C217 112.54(18) . . ?
C209 B2 C201 110.37(18) . . ?
C225 B2 C201 114.33(18) . . ?
C217 B2 C201 104.82(17) . . ?
C003 C002 C001 121.1(5) 2_655 . ?
C003 C002 H020 119.5 2_655 . ?
C001 C002 H020 119.5 . . ?
C002 C001 C003 118.9(4) . . ?
C002 C001 H010 120.5 . . ?
C003 C001 H010 120.5 . . ?
C002 C003 C001 120.0(5) 2_655 . ?
C002 C003 H030 120.0 2_655 . ?
C001 C003 H030 120.0 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 P1 C1 C3 157.3(3) . . . . ?
B1 P1 C1 C3 -70.0(3) . . . . ?
C5 P1 C1 C4 36.1(7) . . . . ?
B1 P1 C1 C4 168.8(6) . . . . ?
C5 P1 C1 C2 -85.5(3) . . . . ?
B1 P1 C1 C2 47.2(3) . . . . ?
C1 P1 C5 C8 -58.6(4) . . . . ?
B1 P1 C5 C8 168.2(4) . . . . ?
C1 P1 C5 C7 179.0(3) . . . . ?
B1 P1 C5 C7 45.8(3) . . . . ?
C1 P1 C5 C6 63.5(3) . . . . ?
B1 P1 C5 C6 -69.7(3) . . . . ?
C206 C201 C202 C203 -1.8(3) . . . . ?
B2 C201 C202 C203 -177.0(2) . . . . ?
C201 C202 C203 C204 0.6(4) . . . . ?
C201 C202 C203 C207 -177.7(2) . . . . ?
C202 C203 C204 C205 0.9(4) . . . . ?
C207 C203 C204 C205 179.3(2) . . . . ?
C203 C204 C205 C206 -1.2(4) . . . . ?
C203 C204 C205 C208 -179.2(2) . . . . ?
C204 C205 C206 C201 0.0(4) . . . . ?
C208 C205 C206 C201 178.0(2) . . . . ?
C202 C201 C206 C205 1.5(3) . . . . ?
B2 C201 C206 C205 176.9(2) . . . . ?
C204 C203 C207 F102 -169.9(9) . . . . ?
C202 C203 C207 F102 8.5(10) . . . . ?
C204 C203 C207 F3 -77.2(9) . . . . ?
C202 C203 C207 F3 101.2(9) . . . . ?
C204 C203 C207 F103 64.4(8) . . . . ?
C202 C203 C207 F103 -117.3(8) . . . . ?
C204 C203 C207 F2 44.4(7) . . . . ?
C202 C203 C207 F2 -137.2(6) . . . . ?
C204 C203 C207 F1 161.8(7) . . . . ?
C202 C203 C207 F1 -19.9(7) . . . . ?
C204 C203 C207 F101 -51.1(7) . . . . ?
C202 C203 C207 F101 127.3(7) . . . . ?
C204 C205 C208 F105 2.8(12) . . . . ?
C206 C205 C208 F105 -175.3(12) . . . . ?
C204 C205 C208 F6 102.2(10) . . . . ?
C206 C205 C208 F6 -75.9(10) . . . . ?
C204 C205 C208 F4 -19.9(10) . . . . ?
C206 C205 C208 F4 162.0(9) . . . . ?
C204 C205 C208 F104 123.6(11) . . . . ?
C206 C205 C208 F104 -54.4(11) . . . . ?
C204 C205 C208 F106 -118.5(11) . . . . ?
C206 C205 C208 F106 63.4(11) . . . . ?
C204 C205 C208 F5 -138.1(8) . . . . ?
C206 C205 C208 F5 43.9(9) . . . . ?
C214 C209 C210 C211 2.2(3) . . . . ?
B2 C209 C210 C211 176.6(2) . . . . ?
C209 C210 C211 C212 -1.5(4) . . . . ?
C209 C210 C211 C215 178.8(2) . . . . ?
C210 C211 C212 C213 -0.5(4) . . . . ?
C215 C211 C212 C213 179.2(2) . . . . ?
C211 C212 C213 C214 1.8(4) . . . . ?
C211 C212 C213 C216 -177.5(2) . . . . ?
C212 C213 C214 C209 -1.1(4) . . . . ?
C216 C213 C214 C209 178.3(2) . . . . ?
C210 C209 C214 C213 -0.9(3) . . . . ?
B2 C209 C214 C213 -175.2(2) . . . . ?
C210 C211 C215 F107 -177.1(7) . . . . ?
C212 C211 C215 F107 3.2(8) . . . . ?
C210 C211 C215 F7 -14.0(6) . . . . ?
C212 C211 C215 F7 166.2(5) . . . . ?
C210 C211 C215 F8 111.7(4) . . . . ?
C212 C211 C215 F8 -68.0(4) . . . . ?
C210 C211 C215 F108 -57.1(7) . . . . ?
C212 C211 C215 F108 123.2(6) . . . . ?
C210 C211 C215 F109 56.3(7) . . . . ?
C212 C211 C215 F109 -123.4(7) . . . . ?
C210 C211 C215 F9 -137.1(4) . . . . ?
C212 C211 C215 F9 43.1(5) . . . . ?
C212 C213 C216 F112 -107.6(11) . . . . ?
C214 C213 C216 F112 73.1(11) . . . . ?
C212 C213 C216 F10 -12.9(8) . . . . ?
C214 C213 C216 F10 167.8(7) . . . . ?
C212 C213 C216 F12 110.6(8) . . . . ?
C214 C213 C216 F12 -68.7(8) . . . . ?
C212 C213 C216 F110 130.4(9) . . . . ?
C214 C213 C216 F110 -48.9(10) . . . . ?
C212 C213 C216 F111 13.1(12) . . . . ?
C214 C213 C216 F111 -166.2(12) . . . . ?
C212 C213 C216 F11 -132.3(8) . . . . ?
C214 C213 C216 F11 48.4(8) . . . . ?
C222 C217 C218 C219 0.8(3) . . . . ?
B2 C217 C218 C219 175.2(2) . . . . ?
C217 C218 C219 C220 -1.4(4) . . . . ?
C217 C218 C219 C223 179.4(2) . . . . ?
C218 C219 C220 C221 0.5(3) . . . . ?
C223 C219 C220 C221 179.8(2) . . . . ?
C219 C220 C221 C222 0.8(3) . . . . ?
C219 C220 C221 C224 180.0(2) . . . . ?
C220 C221 C222 C217 -1.3(3) . . . . ?
C224 C221 C222 C217 179.5(2) . . . . ?
C218 C217 C222 C221 0.5(3) . . . . ?
B2 C217 C222 C221 -174.0(2) . . . . ?
C220 C219 C223 F113 5.7(10) . . . . ?
C218 C219 C223 F113 -175.1(10) . . . . ?
C220 C219 C223 F13 151.8(6) . . . . ?
C218 C219 C223 F13 -28.9(6) . . . . ?
C220 C219 C223 F114 -121.3(11) . . . . ?
C218 C219 C223 F114 57.9(11) . . . . ?
C220 C219 C223 F14 28.6(6) . . . . ?
C218 C219 C223 F14 -152.2(5) . . . . ?
C220 C219 C223 F15 -86.7(6) . . . . ?
C218 C219 C223 F15 92.6(5) . . . . ?
C220 C219 C223 F115 124.8(10) . . . . ?
C218 C219 C223 F115 -56.0(10) . . . . ?
C220 C221 C224 F17 -104.9(3) . . . . ?
C222 C221 C224 F17 74.3(3) . . . . ?
C220 C221 C224 F18 15.5(3) . . . . ?
C222 C221 C224 F18 -165.3(2) . . . . ?
C220 C221 C224 F16 136.0(2) . . . . ?
C222 C221 C224 F16 -44.8(3) . . . . ?
C230 C225 C226 C227 -0.6(3) . . . . ?
B2 C225 C226 C227 -173.4(2) . . . . ?
C225 C226 C227 C228 0.0(4) . . . . ?
C225 C226 C227 C231 -177.7(2) . . . . ?
C226 C227 C228 C229 0.4(4) . . . . ?
C231 C227 C228 C229 178.1(2) . . . . ?
C227 C228 C229 C230 -0.1(4) . . . . ?
C227 C228 C229 C232 179.5(2) . . . . ?
C228 C229 C230 C225 -0.5(4) . . . . ?
C232 C229 C230 C225 179.8(2) . . . . ?
C226 C225 C230 C229 0.9(3) . . . . ?
B2 C225 C230 C229 173.9(2) . . . . ?
C228 C227 C231 F19 -91.7(3) . . . . ?
C226 C227 C231 F19 86.0(3) . . . . ?
C228 C227 C231 F121 -26(2) . . . . ?
C226 C227 C231 F121 152(2) . . . . ?
C228 C227 C231 F21 146.5(3) . . . . ?
C226 C227 C231 F21 -35.8(4) . . . . ?
C228 C227 C231 F119 95(2) . . . . ?
C226 C227 C231 F119 -87(2) . . . . ?
C228 C227 C231 F120 -146(2) . . . . ?
C226 C227 C231 F120 32(2) . . . . ?
C228 C227 C231 F20 27.3(4) . . . . ?
C226 C227 C231 F20 -155.0(3) . . . . ?
C228 C229 C232 F23 8.9(4) . . . . ?
C230 C229 C232 F23 -171.4(3) . . . . ?
C228 C229 C232 F22 -114.3(3) . . . . ?
C230 C229 C232 F22 65.4(3) . . . . ?
C228 C229 C232 F24 128.8(3) . . . . ?
C230 C229 C232 F24 -51.5(3) . . . . ?
C15 C13 P2 C9 -84.3(2) . . . . ?
C14 C13 P2 C9 40.0(3) . . . . ?
C16 C13 P2 C9 158.1(2) . . . . ?
C15 C13 P2 Rh01 43.5(2) . . . . ?
C14 C13 P2 Rh01 167.8(2) . . . . ?
C16 C13 P2 Rh01 -74.1(2) . . . . ?
C11 C9 P2 C13 52.1(3) . . . . ?
C12 C9 P2 C13 -70.7(3) . . . . ?
C10 C9 P2 C13 171.2(2) . . . . ?
C11 C9 P2 Rh01 -75.8(3) . . . . ?
C12 C9 P2 Rh01 161.3(2) . . . . ?
C10 C9 P2 Rh01 43.3(3) . . . . ?
C20 C17 P3 C21 45.0(3) . . . . ?
C19 C17 P3 C21 -80.1(3) . . . . ?
C18 C17 P3 C21 162.1(2) . . . . ?
C20 C17 P3 Rh01 173.4(2) . . . . ?
C19 C17 P3 Rh01 48.4(4) . . . . ?
C18 C17 P3 Rh01 -69.5(2) . . . . ?
C22 C21 P3 C17 53.7(3) . . . . ?
C24 C21 P3 C17 172.8(2) . . . . ?
C23 C21 P3 C17 -68.5(3) . . . . ?
C22 C21 P3 Rh01 -78.1(3) . . . . ?
C24 C21 P3 Rh01 41.0(2) . . . . ?
C23 C21 P3 Rh01 159.6(3) . . . . ?
C17 P3 Rh01 B1 -102.97(19) . . . . ?
C21 P3 Rh01 B1 27.68(17) . . . . ?
C17 P3 Rh01 P2 90.48(15) . . . . ?
C21 P3 Rh01 P2 -138.87(11) . . . . ?
C13 P2 Rh01 B1 -70.45(17) . . . . ?
C9 P2 Rh01 B1 58.00(17) . . . . ?
C13 P2 Rh01 P3 95.52(11) . . . . ?
C9 P2 Rh01 P3 -136.04(11) . . . . ?
C5 P1 B1 P11 73.01(19) . . . . ?
C1 P1 B1 P11 -64.02(19) . . . . ?
C5 P1 B1 Rh01 118.8(3) . . . . ?
C1 P1 B1 Rh01 -18.2(4) . . . . ?
P3 Rh01 B1 P1 94.1(3) . . . . ?
P2 Rh01 B1 P1 -105.1(3) . . . . ?
P3 Rh01 B1 P11 116.53(18) . . . . ?
P2 Rh01 B1 P11 -82.6(2) . . . . ?
C210 C209 B2 C225 -84.3(2) . . . . ?
C214 C209 B2 C225 89.7(2) . . . . ?
C210 C209 B2 C217 154.6(2) . . . . ?
C214 C209 B2 C217 -31.4(3) . . . . ?
C210 C209 B2 C201 38.2(3) . . . . ?
C214 C209 B2 C201 -147.8(2) . . . . ?
C230 C225 B2 C209 -80.6(2) . . . . ?
C226 C225 B2 C209 91.8(2) . . . . ?
C230 C225 B2 C217 40.2(3) . . . . ?
C226 C225 B2 C217 -147.4(2) . . . . ?
C230 C225 B2 C201 159.6(2) . . . . ?
C226 C225 B2 C201 -27.9(3) . . . . ?
C222 C217 B2 C209 -42.3(3) . . . . ?
C218 C217 B2 C209 143.7(2) . . . . ?
C222 C217 B2 C225 -157.75(19) . . . . ?
C218 C217 B2 C225 28.2(3) . . . . ?
C222 C217 B2 C201 77.4(2) . . . . ?
C218 C217 B2 C201 -96.6(2) . . . . ?
C206 C201 B2 C209 33.9(3) . . . . ?
C202 C201 B2 C209 -151.1(2) . . . . ?
C206 C201 B2 C225 149.5(2) . . . . ?
C202 C201 B2 C225 -35.5(3) . . . . ?
C206 C201 B2 C217 -86.8(2) . . . . ?
C202 C201 B2 C217 88.2(2) . . . . ?
C003 C002 C001 C003 0.2(7) 2_655 . . . ?
C002 C001 C003 C002 -0.2(7) . . . 2_655 ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.061