#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/11/7111154.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111154
loop_
_publ_author_name
'Dias, Eric L.'
'Brookhart, Maurice'
'White, Peter S.'
_publ_section_title
;
 Synthesis and properties of a stable, cationic, rhodium Lewis-acid
 catalyst for hydrosilation, Mukaiyama aldol and cyclopropanation
 reactions
;
_journal_issue                   5
_journal_name_full               'Chemical Communications'
_journal_page_first              423
_journal_paper_doi               10.1039/b007815h
_journal_year                    2001
_chemical_formula_moiety         'B C73 H63 F24 N3 O Rh '
_chemical_formula_sum            'C73 H63 B F24 N3 O Rh'
_chemical_formula_weight         1567.98
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.160(1)
_cell_angle_beta                 79.835(1)
_cell_angle_gamma                86.890(1)
_cell_formula_units_Z            2
_cell_length_a                   13.3839(6)
_cell_length_b                   16.3962(7)
_cell_length_c                   16.8506(7)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    193
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.50
_cell_volume                     3585.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      193
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            45784
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.35
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_F_000             1591.15
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.68
_refine_ls_goodness_of_fit_obs   2.02
_refine_ls_matrix_type           full
_refine_ls_number_parameters     955
_refine_ls_number_reflns         17136
_refine_ls_R_factor_all          0.053
_refine_ls_R_factor_obs          0.053
_refine_ls_shift/esd_max         0.139
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(σ²(F)+0.0002F²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.056
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          13183
_reflns_number_total             17165
_reflns_observed_criterion       'Inet > 3.0\s(Inet)'
_cod_data_source_file            b007815hsup1.cif
_cod_data_source_block           c99037
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'B C73 H63 F24 N3 O Rh '
_cod_database_code               7111154
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Rh1 0.865781(17) 0.718138(14) 0.419776(12) 0.02600(10) Uij Rh
C1 0.74457(22) 0.58215(17) 0.50059(17) 0.0321(14) Uij C
C2 0.6871(3) 0.50413(19) 0.52121(19) 0.0440(17) Uij C
N3 0.79438(17) 0.61135(14) 0.42800(13) 0.0294(12) Uij N
C4 0.87829(22) 0.82969(17) 0.52925(16) 0.0310(14) Uij C
C5 0.9026(3) 0.89938(20) 0.56823(18) 0.0441(17) Uij C
N6 0.90996(17) 0.82146(14) 0.45310(13) 0.0275(11) Uij N
O7 0.94190(16) 0.74319(13) 0.30033(11) 0.0360(11) Uij O
C8 0.91341(22) 0.73585(18) 0.23663(17) 0.0321(14) Uij C
N11 0.80270(16) 0.70348(13) 0.53033(12) 0.0258(11) Uij N
C12 0.81473(21) 0.76155(17) 0.57670(16) 0.0297(15) Uij C
C13 0.76838(25) 0.75197(20) 0.65822(17) 0.0389(17) Uij C
C14 0.7106(3) 0.68248(21) 0.69128(17) 0.0433(17) Uij C
C15 0.70048(24) 0.62374(19) 0.64364(17) 0.0394(16) Uij C
C16 0.74744(21) 0.63447(17) 0.56246(16) 0.0302(14) Uij C
C21 0.79264(22) 0.57174(17) 0.35760(16) 0.0314(15) Uij C
C22 0.8789(3) 0.52550(20) 0.32911(20) 0.0443(18) Uij C
C23 0.8801(3) 0.49538(24) 0.25662(22) 0.0543(21) Uij C
C24 0.8005(3) 0.51083(24) 0.21426(21) 0.0535(21) Uij C
C25 0.7178(3) 0.55772(21) 0.24290(19) 0.0430(17) Uij C
C26 0.71164(22) 0.59003(18) 0.31512(17) 0.0348(15) Uij C
C27 0.9671(3) 0.5089(3) 0.37468(25) 0.0638(25) Uij C
C271 0.9638(4) 0.4216(3) 0.4236(3) 0.088(3) Uij C
C272 1.0700(4) 0.5231(3) 0.3193(4) 0.089(4) Uij C
C28 0.62176(24) 0.64508(22) 0.34316(19) 0.0441(18) Uij C
C281 0.5233(3) 0.6038(4) 0.3509(4) 0.108(4) Uij C
C282 0.6215(3) 0.7268(3) 0.2863(4) 0.102(4) Uij C
C31 0.97256(22) 0.88276(17) 0.39615(15) 0.0310(14) Uij C
C32 0.9253(3) 0.94912(18) 0.35240(17) 0.0381(16) Uij C
C33 0.9879(3) 1.00173(20) 0.29185(18) 0.0474(19) Uij C
C34 1.0916(3) 0.98739(22) 0.27580(19) 0.0521(20) Uij C
C35 1.1354(3) 0.92160(23) 0.31980(19) 0.0490(19) Uij C
C36 1.07726(24) 0.86659(20) 0.38103(17) 0.0397(17) Uij C
C37 0.8113(3) 0.96378(23) 0.36693(22) 0.0545(21) Uij C
C371 0.7761(4) 1.0533(3) 0.3533(5) 0.117(5) Uij C
C372 0.7603(5) 0.9196(4) 0.3164(5) 0.144(6) Uij C
C38 1.1253(3) 0.7938(3) 0.42940(23) 0.0655(23) Uij C
C381 1.1959(4) 0.7418(3) 0.3775(3) 0.092(3) Uij C
C382 1.1753(6) 0.8208(5) 0.4923(4) 0.144(6) Uij C
C41 0.95817(21) 0.77843(17) 0.15701(15) 0.0286(13) Uij C
C42 1.03897(24) 0.83076(21) 0.14791(17) 0.0406(17) Uij C
C43 1.0759(3) 0.87440(22) 0.07165(19) 0.0461(18) Uij C
C44 1.03255(22) 0.86747(19) 0.00381(16) 0.0356(15) Uij C
C45 0.95318(24) 0.81473(21) 0.01350(17) 0.0387(17) Uij C
C46 0.91603(23) 0.77008(20) 0.08957(17) 0.0377(16) Uij C
C47 1.0723(3) 0.91704(23) -0.07805(19) 0.0533(19) Uij C
B1 0.38163(23) 0.75886(20) 0.85595(18) 0.0288(15) Uij B
C51 0.47040(20) 0.69075(17) 0.88181(15) 0.0274(13) Uij C
C52 0.47177(20) 0.60779(17) 0.87151(15) 0.0274(13) Uij C
C53 0.55267(21) 0.55375(17) 0.88744(15) 0.0292(13) Uij C
C54 0.63442(22) 0.58024(19) 0.91509(17) 0.0353(15) Uij C
C55 0.63492(21) 0.66221(20) 0.92577(18) 0.0358(16) Uij C
C56 0.55479(21) 0.71602(18) 0.90848(17) 0.0323(15) Uij C
C57 0.55416(24) 0.46747(19) 0.87057(18) 0.0371(16) Uij C
C58 0.7213(3) 0.6943(3) 0.9560(3) 0.059(3) Uij C
F51 0.46227(16) 0.43546(12) 0.88243(14) 0.0603(13) Uij F
F52 0.60712(18) 0.41428(12) 0.91696(14) 0.0665(13) Uij F
F53 0.59452(21) 0.46223(13) 0.79312(12) 0.0751(15) Uij F
F54 0.7960(8) 0.6437(6) 0.9687(10) 0.125(9) Uij F
F55 0.6890(5) 0.7191(5) 1.0298(4) 0.066(4) Uij F
F56 0.7573(8) 0.7645(7) 0.9103(6) 0.110(8) Uij F
F54a 0.7315(9) 0.6513(14) 1.0289(5) 0.183(13) Uij F
F55a 0.8066(5) 0.6737(6) 0.9154(6) 0.089(6) Uij F
F56a 0.7239(12) 0.7695(7) 0.9518(17) 0.218(20) Uij F
C61 0.42420(21) 0.79173(19) 0.75878(17) 0.0353(15) Uij C
C62 0.41092(24) 0.74439(21) 0.69969(18) 0.0431(18) Uij C
C63 0.4521(3) 0.7655(3) 0.61746(20) 0.0579(22) Uij C
C64 0.5087(3) 0.8355(3) 0.58987(22) 0.068(3) Uij C
C65 0.5250(3) 0.8825(3) 0.6462(3) 0.0652(23) Uij C
C66 0.48455(23) 0.86056(23) 0.72990(20) 0.0486(18) Uij C
C67 0.4385(4) 0.7098(4) 0.5594(3) 0.081(3) Uij C
C68 0.5835(4) 0.9605(4) 0.6206(4) 0.101(4) Uij C
F61 0.3460(3) 0.67438(21) 0.57624(18) 0.1070(24) Uij F
F62 0.4387(3) 0.7495(3) 0.48314(17) 0.138(3) Uij F
F63 0.5021(3) 0.6483(3) 0.55668(24) 0.157(3) Uij F
F64 0.6501(3) 0.96739(24) 0.66743(24) 0.137(3) Uij F
F65 0.6408(3) 0.9641(3) 0.54797(23) 0.188(4) Uij F
F66 0.5285(3) 1.02664(24) 0.6179(4) 0.189(4) Uij F
C71 0.26875(20) 0.71820(17) 0.87028(16) 0.0281(13) Uij C
C72 0.19934(21) 0.73918(17) 0.81679(16) 0.0315(13) Uij C
C73 0.10147(21) 0.70909(18) 0.83361(17) 0.0327(15) Uij C
C74 0.06689(21) 0.65790(18) 0.90699(18) 0.0341(15) Uij C
C75 0.13356(21) 0.63709(17) 0.96193(17) 0.0315(13) Uij C
C76 0.23182(21) 0.66556(18) 0.94347(17) 0.0319(14) Uij C
C77 0.02908(24) 0.73474(21) 0.77518(20) 0.0440(18) Uij C
C78 0.09858(24) 0.58283(21) 1.04207(21) 0.0452(17) Uij C
F71 0.07555(17) 0.75453(19) 0.69860(13) 0.0882(19) Uij F
F72 -0.03698(15) 0.67666(12) 0.77548(13) 0.0578(13) Uij F
F73 -0.02842(17) 0.80165(12) 0.79224(14) 0.0647(13) Uij F
F74 0.13424(18) 0.50630(14) 1.04354(16) 0.0847(15) Uij F
F75 0.12987(24) 0.60914(20) 1.10318(14) 0.1038(21) Uij F
F76 -0.00039(15) 0.57782(16) 1.06200(14) 0.0779(14) Uij F
C81 0.37000(20) 0.82976(18) 0.91511(18) 0.0330(16) Uij C
C82 0.37360(23) 0.80632(21) 0.99844(19) 0.0415(16) Uij C
C83 0.3650(3) 0.8628(3) 1.05216(23) 0.0572(22) Uij C
C84 0.3545(3) 0.9466(3) 1.0232(3) 0.074(3) Uij C
C85 0.3485(3) 0.97164(24) 0.9415(3) 0.063(3) Uij C
C86 0.35422(24) 0.91468(20) 0.88903(22) 0.0460(20) Uij C
C87 0.3671(4) 0.8301(4) 1.1402(3) 0.091(4) Uij C
C88 0.3327(5) 1.0624(3) 0.9065(6) 0.117(6) Uij C
F81 0.4405(3) 0.77671(23) 1.15218(16) 0.1115(25) Uij F
F82 0.2829(3) 0.7915(3) 1.17637(18) 0.170(4) Uij F
F83 0.3773(3) 0.8875(3) 1.18356(21) 0.155(4) Uij F
F84 0.2470(3) 1.08339(20) 0.8988(4) 0.218(6) Uij F
F85 0.3904(4) 1.08381(19) 0.8314(3) 0.150(4) Uij F
F86 0.3747(4) 1.10969(20) 0.9507(3) 0.159(4) Uij F
H2a 0.657 0.496 0.578 0.0529 Uiso H
H2b 0.635 0.508 0.488 0.0529 Uiso H
H2c 0.732 0.458 0.511 0.0529 Uiso H
H5a 0.871 0.891 0.625 0.0548 Uiso H
H5b 0.975 0.902 0.565 0.0548 Uiso H
H5c 0.878 0.950 0.540 0.0548 Uiso H
H8 0.858 0.700 0.240 0.0418 Uiso H
H13 0.776 0.793 0.691 0.0488 Uiso H
H14 0.678 0.675 0.747 0.0517 Uiso H
H15 0.661 0.576 0.666 0.0476 Uiso H
H23 0.938 0.463 0.236 0.0667 Uiso H
H24 0.803 0.489 0.165 0.0659 Uiso H
H25 0.663 0.568 0.213 0.0547 Uiso H
H27 0.961 0.547 0.413 0.0786 Uiso H
H271a 0.899 0.414 0.459 0.0950 Uiso H
H271b 0.972 0.383 0.386 0.0950 Uiso H
H271c 1.017 0.413 0.456 0.0950 Uiso H
H272a 1.071 0.579 0.290 0.1005 Uiso H
H272b 1.124 0.515 0.351 0.1005 Uiso H
H272c 1.079 0.485 0.281 0.1005 Uiso H
H28 0.628 0.657 0.396 0.0555 Uiso H
H281a 0.523 0.552 0.388 0.1192 Uiso H
H281b 0.468 0.639 0.371 0.1192 Uiso H
H281c 0.515 0.594 0.298 0.1192 Uiso H
H282a 0.684 0.754 0.282 0.1033 Uiso H
H282b 0.613 0.716 0.234 0.1033 Uiso H
H282c 0.566 0.762 0.307 0.1033 Uiso H
H33 0.958 1.048 0.261 0.0568 Uiso H
H34 1.133 1.024 0.234 0.0612 Uiso H
H35 1.208 0.913 0.308 0.0590 Uiso H
H37 0.786 0.942 0.423 0.0625 Uiso H
H371a 0.806 1.084 0.386 0.1289 Uiso H
H371b 0.797 1.075 0.296 0.1289 Uiso H
H371c 0.704 1.057 0.367 0.1289 Uiso H
H372a 0.780 0.862 0.325 0.1704 Uiso H
H372b 0.688 0.925 0.331 0.1704 Uiso H
H372c 0.781 0.943 0.260 0.1704 Uiso H
H38 1.072 0.758 0.459 0.0705 Uiso H
H381a 1.161 0.723 0.339 0.1026 Uiso H
H381b 1.252 0.775 0.349 0.1026 Uiso H
H381c 1.221 0.695 0.411 0.1026 Uiso H
H382a 1.128 0.853 0.525 0.1604 Uiso H
H382b 1.200 0.774 0.527 0.1604 Uiso H
H382c 1.231 0.855 0.464 0.1604 Uiso H
H42 1.069 0.836 0.194 0.0512 Uiso H
H43 1.133 0.910 0.065 0.0553 Uiso H
H45 0.923 0.809 -0.033 0.0493 Uiso H
H46 0.861 0.733 0.096 0.0481 Uiso H
H47a 1.034 0.905 -0.117 0.0601 Uiso H
H47b 1.066 0.975 -0.075 0.0601 Uiso H
H47c 1.142 0.903 -0.095 0.0601 Uiso H
H52 0.415 0.587 0.853 0.0373 Uiso H
H54 0.690 0.543 0.927 0.0457 Uiso H
H56 0.558 0.773 0.915 0.0427 Uiso H
H62 0.372 0.695 0.717 0.0523 Uiso H
H64 0.536 0.851 0.533 0.0734 Uiso H
H66 0.499 0.894 0.768 0.0560 Uiso H
H72 0.220 0.776 0.766 0.0409 Uiso H
H74 -0.001 0.638 0.919 0.0438 Uiso H
H76 0.276 0.649 0.982 0.0415 Uiso H
H82 0.382 0.749 1.020 0.0514 Uiso H
H84 0.351 0.986 1.059 0.0887 Uiso H
H86 0.347 0.934 0.833 0.0560 Uiso H
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B 0.001 0.001 'International Tables Vol. IV Table 2.2B'
C 0.003 0.002 'International Tables Vol. IV Table 2.2B'
H 0.000 0.000 'International Tables Vol. IV Table 2.2B'
F 0.017 0.010 'International Tables Vol. IV Table 2.2B'
N 0.006 0.003 'International Tables Vol. IV Table 2.2B'
O 0.011 0.006 'International Tables Vol. IV Table 2.2B'
Rh -1.118 0.919 'International Tables Vol. IV Table 2.2B'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
N(3) Rh(1) N(6) 159.31(9)
N(3) Rh(1) O(7) 105.48(8)
N(3) Rh(1) N(11) 79.66(9)
N(6) Rh(1) O(7) 95.17(8)
N(6) Rh(1) N(11) 79.70(9)
O(7) Rh(1) N(11) 174.81(9)
C(2) C(1) N(3) 124.9(3)
C(2) C(1) C(16) 120.92(24)
N(3) C(1) C(16) 114.18(24)
Rh(1) N(3) C(1) 115.46(19)
Rh(1) N(3) C(21) 122.53(16)
C(1) N(3) C(21) 121.91(24)
C(5) C(4) N(6) 125.4(3)
C(5) C(4) C(12) 120.82(24)
N(6) C(4) C(12) 113.80(25)
Rh(1) N(6) C(4) 115.59(18)
Rh(1) N(6) C(31) 122.32(17)
C(4) N(6) C(31) 122.09(23)
Rh(1) O(7) C(8) 129.44(19)
O(7) C(8) C(41) 123.8(3)
Rh(1) N(11) C(12) 119.16(17)
Rh(1) N(11) C(16) 119.34(18)
C(12) N(11) C(16) 121.48(22)
C(4) C(12) N(11) 111.74(22)
C(4) C(12) C(13) 128.3(3)
N(11) C(12) C(13) 120.0(3)
C(12) C(13) C(14) 119.0(3)
C(13) C(14) C(15) 120.1(3)
C(14) C(15) C(16) 119.9(3)
C(1) C(16) N(11) 111.30(22)
C(1) C(16) C(15) 129.2(3)
N(11) C(16) C(15) 119.5(3)
N(3) C(21) C(22) 118.2(3)
N(3) C(21) C(26) 118.5(3)
C(22) C(21) C(26) 122.7(3)
C(21) C(22) C(23) 117.3(3)
C(21) C(22) C(27) 121.8(3)
C(23) C(22) C(27) 120.9(3)
C(22) C(23) C(24) 121.3(3)
C(23) C(24) C(25) 120.0(3)
C(24) C(25) C(26) 121.7(3)
C(21) C(26) C(25) 116.9(3)
C(21) C(26) C(28) 122.5(3)
C(25) C(26) C(28) 120.5(3)
C(22) C(27) C(271) 110.9(4)
C(22) C(27) C(272) 113.2(3)
C(271) C(27) C(272) 110.2(3)
C(26) C(28) C(281) 111.9(3)
C(26) C(28) C(282) 111.4(3)
C(281) C(28) C(282) 109.8(4)
N(6) C(31) C(32) 118.9(3)
N(6) C(31) C(36) 117.59(25)
C(32) C(31) C(36) 123.1(3)
C(31) C(32) C(33) 117.0(3)
C(31) C(32) C(37) 122.5(3)
C(33) C(32) C(37) 120.5(3)
C(32) C(33) C(34) 121.2(3)
C(33) C(34) C(35) 120.3(3)
C(34) C(35) C(36) 121.5(3)
C(31) C(36) C(35) 117.0(3)
C(31) C(36) C(38) 121.4(3)
C(35) C(36) C(38) 121.6(3)
C(32) C(37) C(371) 115.4(4)
C(32) C(37) C(372) 112.1(4)
C(371) C(37) C(372) 107.5(4)
C(36) C(38) C(381) 113.9(3)
C(36) C(38) C(382) 110.9(4)
C(381) C(38) C(382) 111.7(4)
C(8) C(41) C(42) 121.0(3)
C(8) C(41) C(46) 119.2(3)
C(42) C(41) C(46) 119.71(25)
C(41) C(42) C(43) 119.5(3)
C(42) C(43) C(44) 121.1(3)
C(43) C(44) C(45) 118.8(3)
C(43) C(44) C(47) 120.1(3)
C(45) C(44) C(47) 121.0(3)
C(44) C(45) C(46) 120.6(3)
C(41) C(46) C(45) 120.2(3)
C(51) B(1) C(61) 102.47(21)
C(51) B(1) C(71) 112.93(22)
C(51) B(1) C(81) 108.78(23)
C(61) B(1) C(71) 111.94(23)
C(61) B(1) C(81) 115.29(24)
C(71) B(1) C(81) 105.61(21)
B(1) C(51) C(52) 123.48(25)
B(1) C(51) C(56) 120.29(25)
C(52) C(51) C(56) 115.96(24)
C(51) C(52) C(53) 121.8(3)
C(52) C(53) C(54) 120.9(3)
C(52) C(53) C(57) 120.0(3)
C(54) C(53) C(57) 119.00(25)
C(53) C(54) C(55) 118.4(3)
C(54) C(55) C(56) 120.3(3)
C(54) C(55) C(58) 120.8(3)
C(56) C(55) C(58) 118.9(3)
C(51) C(56) C(55) 122.6(3)
C(53) C(57) F(51) 113.62(25)
C(53) C(57) F(52) 113.6(3)
C(53) C(57) F(53) 112.14(24)
F(51) C(57) F(52) 105.18(24)
F(51) C(57) F(53) 105.4(3)
F(52) C(57) F(53) 106.2(3)
C(55) C(58) F(54) 117.3(5)
C(55) C(58) F(55) 110.7(4)
C(55) C(58) F(56) 112.9(6)
C(55) C(58) F(54a) 110.1(5)
C(55) C(58) F(55a) 110.7(5)
C(55) C(58) F(56a) 116.7(6)
F(54) C(58) F(55) 103.8(8)
F(54) C(58) F(56) 109.2(9)
F(54) C(58) F(54a) 55.9(12)
F(54) C(58) F(55a) 42.8(9)
F(54) C(58) F(56a) 124.5(7)
F(55) C(58) F(56) 101.4(7)
F(55) C(58) F(54a) 53.8(11)
F(55) C(58) F(55a) 136.2(5)
F(55) C(58) F(56a) 67.5(14)
F(56) C(58) F(54a) 136.1(8)
F(56) C(58) F(55a) 74.9(7)
F(56) C(58) F(56a) 34.9(15)
F(54a) C(58) F(55a) 98.4(9)
F(54a) C(58) F(56a) 114.2(15)
F(55a) C(58) F(56a) 105.1(12)
C(57) F(51) F(52) 37.37(15)
C(57) F(51) F(53) 37.37(16)
F(52) F(51) F(53) 60.43(11)
C(57) F(52) F(51) 37.45(16)
C(57) F(52) F(53) 36.99(16)
F(51) F(52) F(53) 59.98(11)
C(57) F(53) F(51) 37.23(17)
C(57) F(53) F(52) 36.78(15)
F(51) F(53) F(52) 59.59(10)
C(58) F(54) F(55) 39.4(4)
C(58) F(54) F(56) 36.1(5)
C(58) F(54) F(54a) 63.9(9)
C(58) F(54) F(55a) 68.3(8)
F(55) F(54) F(56) 59.2(4)
F(55) F(54) F(54a) 31.5(10)
F(55) F(54) F(55a) 101.7(7)
F(56) F(54) F(54a) 90.4(11)
F(56) F(54) F(55a) 43.4(7)
F(54a) F(54) F(55a) 131.6(12)
C(58) F(55) F(54) 36.8(4)
C(58) F(55) F(56) 38.8(4)
C(58) F(55) F(54a) 61.8(5)
C(58) F(55) F(56a) 51.6(6)
F(54) F(55) F(56) 61.6(6)
F(54) F(55) F(54a) 31.7(6)
F(54) F(55) F(56a) 75.6(7)
F(56) F(55) F(54a) 93.1(6)
F(56) F(55) F(56a) 14.3(6)
F(54a) F(55) F(56a) 107.2(8)
C(58) F(56) F(54) 34.8(5)
C(58) F(56) F(55) 39.9(4)
C(58) F(56) F(55a) 51.2(5)
C(58) F(56) F(56a) 64.9(11)
F(54) F(56) F(55) 59.3(5)
F(54) F(56) F(55a) 23.9(5)
F(54) F(56) F(56a) 86.3(13)
F(55) F(56) F(55a) 82.7(5)
F(55) F(56) F(56a) 27.3(11)
F(55a) F(56) F(56a) 109.9(14)
C(58) F(54a) F(54) 60.2(6)
C(58) F(54a) F(55) 64.3(10)
C(58) F(54a) F(55a) 39.9(4)
C(58) F(54a) F(56a) 31.3(8)
F(54) F(54a) F(55) 116.8(12)
F(54) F(54a) F(55a) 20.8(6)
F(54) F(54a) F(56a) 77.0(10)
F(55) F(54a) F(55a) 97.3(8)
F(55) F(54a) F(56a) 39.9(8)
F(55a) F(54a) F(56a) 57.5(8)
C(58) F(55a) F(54) 68.9(7)
C(58) F(55a) F(56) 54.0(5)
C(58) F(55a) F(54a) 41.8(6)
C(58) F(55a) F(56a) 36.4(7)
F(54) F(55a) F(56) 112.7(9)
F(54) F(55a) F(54a) 27.7(8)
F(54) F(55a) F(56a) 91.5(11)
F(56) F(55a) F(54a) 86.9(9)
F(56) F(55a) F(56a) 21.4(9)
F(54a) F(55a) F(56a) 65.5(11)
C(58) F(56a) F(55) 60.9(10)
C(58) F(56a) F(56) 80.2(12)
C(58) F(56a) F(54a) 34.5(8)
C(58) F(56a) F(55a) 38.5(6)
F(55) F(56a) F(56) 138.4(13)
F(55) F(56a) F(54a) 32.9(6)
F(55) F(56a) F(55a) 89.9(7)
F(56) F(56a) F(54a) 105.6(12)
F(56) F(56a) F(55a) 48.6(10)
F(54a) F(56a) F(55a) 57.0(6)
B(1) C(61) C(62) 120.2(3)
B(1) C(61) C(66) 124.1(3)
C(62) C(61) C(66) 115.3(3)
C(61) C(62) C(63) 122.9(3)
C(62) C(63) C(64) 120.8(4)
C(62) C(63) C(67) 119.4(4)
C(64) C(63) C(67) 119.8(4)
C(63) C(64) C(65) 118.0(3)
C(64) C(65) C(66) 121.3(4)
C(64) C(65) C(68) 121.1(4)
C(66) C(65) C(68) 117.6(5)
C(61) C(66) C(65) 121.6(4)
C(63) C(67) F(61) 113.4(3)
C(63) C(67) F(62) 113.3(5)
C(63) C(67) F(63) 115.0(4)
F(61) C(67) F(62) 101.1(4)
F(61) C(67) F(63) 104.4(5)
F(62) C(67) F(63) 108.3(4)
C(65) C(68) F(64) 113.2(4)
C(65) C(68) F(65) 112.7(6)
C(65) C(68) F(66) 114.2(4)
F(64) C(68) F(65) 102.4(4)
F(64) C(68) F(66) 106.9(6)
F(65) C(68) F(66) 106.5(5)
C(67) F(61) F(62) 39.09(23)
C(67) F(61) F(63) 36.6(3)
F(62) F(61) F(63) 61.30(20)
C(67) F(62) F(61) 39.8(3)
C(67) F(62) F(63) 35.02(23)
F(61) F(62) F(63) 59.52(18)
C(67) F(63) F(61) 39.1(3)
C(67) F(63) F(62) 36.67(24)
F(61) F(63) F(62) 59.18(16)
C(68) F(64) F(65) 38.9(3)
C(68) F(64) F(66) 36.0(4)
F(65) F(64) F(66) 60.5(3)
C(68) F(65) F(64) 38.7(3)
C(68) F(65) F(66) 36.1(3)
F(64) F(65) F(66) 60.48(23)
C(68) F(66) F(64) 37.1(4)
C(68) F(66) F(65) 37.4(3)
F(64) F(66) F(65) 59.04(22)
B(1) C(71) C(72) 123.83(23)
B(1) C(71) C(76) 120.71(24)
C(72) C(71) C(76) 115.11(25)
C(71) C(72) C(73) 122.65(25)
C(72) C(73) C(74) 120.8(3)
C(72) C(73) C(77) 120.7(3)
C(74) C(73) C(77) 118.4(3)
C(73) C(74) C(75) 117.9(3)
C(74) C(75) C(76) 120.80(25)
C(74) C(75) C(78) 119.4(3)
C(76) C(75) C(78) 119.8(3)
C(71) C(76) C(75) 122.74(25)
C(73) C(77) F(71) 112.8(3)
C(73) C(77) F(72) 113.5(3)
C(73) C(77) F(73) 112.4(3)
F(71) C(77) F(72) 106.5(3)
F(71) C(77) F(73) 105.9(3)
F(72) C(77) F(73) 105.1(3)
C(75) C(78) F(74) 112.5(3)
C(75) C(78) F(75) 111.9(3)
C(75) C(78) F(76) 114.0(3)
F(74) C(78) F(75) 105.5(3)
F(74) C(78) F(76) 106.2(3)
F(75) C(78) F(76) 106.2(3)
C(77) F(71) F(72) 36.90(18)
C(77) F(71) F(73) 37.43(17)
F(72) F(71) F(73) 59.92(10)
C(77) F(72) F(71) 36.61(17)
C(77) F(72) F(73) 37.70(17)
F(71) F(72) F(73) 60.13(12)
C(77) F(73) F(71) 36.66(17)
C(77) F(73) F(72) 37.22(16)
F(71) F(73) F(72) 59.95(12)
C(78) F(74) F(75) 37.35(20)
C(78) F(74) F(76) 36.80(17)
F(75) F(74) F(76) 60.15(14)
C(78) F(75) F(74) 37.18(18)
C(78) F(75) F(76) 36.75(17)
F(74) F(75) F(76) 59.99(12)
C(78) F(76) F(74) 36.95(18)
C(78) F(76) F(75) 37.07(20)
F(74) F(76) F(75) 59.86(14)
B(1) C(81) C(82) 119.6(3)
B(1) C(81) C(86) 124.8(3)
C(82) C(81) C(86) 115.6(3)
C(81) C(82) C(83) 122.9(3)
C(82) C(83) C(84) 119.7(4)
C(82) C(83) C(87) 118.1(4)
C(84) C(83) C(87) 122.2(4)
C(83) C(84) C(85) 118.7(4)
C(84) C(85) C(86) 121.0(4)
C(84) C(85) C(88) 121.4(5)
C(86) C(85) C(88) 117.6(5)
C(81) C(86) C(85) 121.9(4)
C(83) C(87) F(81) 113.8(3)
C(83) C(87) F(82) 111.8(4)
C(83) C(87) F(83) 113.9(5)
F(81) C(87) F(82) 105.5(6)
F(81) C(87) F(83) 105.2(4)
F(82) C(87) F(83) 106.0(4)
C(85) C(88) F(84) 115.6(5)
C(85) C(88) F(85) 111.9(4)
C(85) C(88) F(86) 108.4(6)
F(84) C(88) F(85) 106.1(7)
F(84) C(88) F(86) 113.4(5)
F(85) C(88) F(86) 100.5(5)
C(87) F(81) F(82) 37.6(3)
C(87) F(81) F(83) 37.6(3)
F(82) F(81) F(83) 60.74(22)
C(87) F(82) F(81) 36.9(3)
C(87) F(82) F(83) 36.8(3)
F(81) F(82) F(83) 59.34(18)
C(87) F(83) F(81) 37.2(3)
C(87) F(83) F(82) 37.2(3)
F(81) F(83) F(82) 59.92(20)
C(88) F(84) F(85) 39.6(5)
C(88) F(84) F(86) 35.7(4)
F(85) F(84) F(86) 59.89(22)
C(88) F(85) F(84) 34.3(4)
C(88) F(85) F(86) 39.8(3)
F(84) F(85) F(86) 62.4(3)
C(88) F(86) F(84) 30.9(3)
C(88) F(86) F(85) 39.7(4)
F(84) F(86) F(85) 57.76(24)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Rh(1) N(3) 2.0124(23)
Rh(1) N(6) 2.0213(23)
Rh(1) O(7) 2.0728(18)
Rh(1) N(11) 1.8854(20)
C(1) C(2) 1.486(4)
C(1) N(3) 1.310(3)
C(1) C(16) 1.466(4)
N(3) C(21) 1.451(4)
C(4) C(5) 1.489(4)
C(4) N(6) 1.306(3)
C(4) C(12) 1.473(4)
N(6) C(31) 1.453(3)
O(7) C(8) 1.227(3)
C(8) C(41) 1.445(4)
N(11) C(12) 1.363(4)
N(11) C(16) 1.364(3)
C(12) C(13) 1.390(4)
C(13) C(14) 1.391(5)
C(14) C(15) 1.381(5)
C(15) C(16) 1.387(4)
C(21) C(22) 1.404(4)
C(21) C(26) 1.394(4)
C(22) C(23) 1.391(5)
C(22) C(27) 1.507(5)
C(23) C(24) 1.374(5)
C(24) C(25) 1.377(5)
C(25) C(26) 1.396(4)
C(26) C(28) 1.521(4)
C(27) C(271) 1.523(7)
C(27) C(272) 1.525(7)
C(28) C(281) 1.489(6)
C(28) C(282) 1.508(6)
C(31) C(32) 1.394(4)
C(31) C(36) 1.398(4)
C(32) C(33) 1.401(4)
C(32) C(37) 1.514(5)
C(33) C(34) 1.382(6)
C(34) C(35) 1.367(6)
C(35) C(36) 1.400(4)
C(36) C(38) 1.507(5)
C(37) C(371) 1.508(6)
C(37) C(372) 1.478(7)
C(38) C(381) 1.503(7)
C(38) C(382) 1.487(8)
C(41) C(42) 1.388(4)
C(41) C(46) 1.384(4)
C(42) C(43) 1.381(4)
C(43) C(44) 1.393(4)
C(44) C(45) 1.376(5)
C(44) C(47) 1.500(4)
C(45) C(46) 1.386(4)
B(1) C(51) 1.649(4)
B(1) C(61) 1.643(4)
B(1) C(71) 1.646(4)
B(1) C(81) 1.640(5)
C(51) C(52) 1.399(4)
C(51) C(56) 1.394(4)
C(52) C(53) 1.395(4)
C(53) C(54) 1.380(4)
C(53) C(57) 1.488(4)
C(54) C(55) 1.387(4)
C(55) C(56) 1.390(4)
C(55) C(58) 1.496(5)
C(57) F(51) 1.333(4)
C(57) F(52) 1.330(3)
C(57) F(53) 1.337(4)
C(58) F(54) 1.289(7)
C(58) F(55) 1.364(7)
C(58) F(56) 1.332(9)
C(58) F(54a) 1.334(11)
C(58) F(55a) 1.284(8)
C(58) F(56a) 1.225(11)
F(51) F(52) 2.115(3)
F(51) F(53) 2.123(3)
F(52) F(53) 2.133(3)
F(54) F(55) 2.088(12)
F(54) F(56) 2.136(16)
F(54) F(54a) 1.230(21)
F(54) F(55a) 0.939(20)
F(55) F(56) 2.086(11)
F(55) F(54a) 1.22(3)
F(55) F(56a) 1.44(3)
F(56) F(55a) 1.590(16)
F(56) F(56a) 0.77(3)
F(54a) F(55a) 1.982(13)
F(54a) F(56a) 2.15(3)
F(55a) F(56a) 1.992(16)
C(61) C(62) 1.403(5)
C(61) C(66) 1.391(5)
C(62) C(63) 1.390(5)
C(63) C(64) 1.376(7)
C(63) C(67) 1.487(6)
C(64) C(65) 1.373(7)
C(65) C(66) 1.411(5)
C(65) C(68) 1.495(7)
C(67) F(61) 1.359(7)
C(67) F(62) 1.338(5)
C(67) F(63) 1.285(5)
C(68) F(64) 1.312(8)
C(68) F(65) 1.318(6)
C(68) F(66) 1.277(8)
F(61) F(62) 2.082(5)
F(61) F(63) 2.089(5)
F(62) F(63) 2.127(5)
F(64) F(65) 2.049(6)
F(64) F(66) 2.079(6)
F(65) F(66) 2.079(7)
C(71) C(72) 1.396(4)
C(71) C(76) 1.406(4)
C(72) C(73) 1.389(4)
C(73) C(74) 1.390(4)
C(73) C(77) 1.495(4)
C(74) C(75) 1.386(4)
C(75) C(76) 1.384(4)
C(75) C(78) 1.499(4)
C(77) F(71) 1.324(4)
C(77) F(72) 1.333(4)
C(77) F(73) 1.348(4)
C(78) F(74) 1.316(4)
C(78) F(75) 1.321(5)
C(78) F(76) 1.311(4)
F(71) F(72) 2.129(3)
F(71) F(73) 2.133(4)
F(72) F(73) 2.128(3)
F(74) F(75) 2.099(4)
F(74) F(76) 2.101(3)
F(75) F(76) 2.105(4)
C(81) C(82) 1.400(4)
C(81) C(86) 1.403(4)
C(82) C(83) 1.388(5)
C(83) C(84) 1.387(7)
C(83) C(87) 1.494(7)
C(84) C(85) 1.383(8)
C(85) C(86) 1.382(6)
C(85) C(88) 1.523(7)
C(87) F(81) 1.299(7)
C(87) F(82) 1.322(7)
C(87) F(83) 1.312(6)
C(88) F(84) 1.202(8)
C(88) F(85) 1.361(10)
C(88) F(86) 1.366(8)
F(81) F(82) 2.086(5)
F(81) F(83) 2.074(5)
F(82) F(83) 2.103(6)
F(84) F(85) 2.050(7)
F(84) F(86) 2.148(7)
F(85) F(86) 2.097(7)
