#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/94/7109432.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_7109432
loop_
_publ_author_name
'Jia-Qi Li'
'Pher G. Andersson'
_publ_section_title
;
 Room temperature and solvent-free iridium-catalyzed selective alkylation
 of anilines with alcohols
;
_journal_name_full               Chem.Commun.
_journal_page_first              6131
_journal_paper_doi               10.1039/c3cc42669f
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C68.5 H47 B Cl0.5 F24 N2 P Rh'
_chemical_formula_weight         1516.50
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.0490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.7423(12)
_cell_length_b                   17.7913(5)
_cell_length_c                   19.1299(5)
_cell_measurement_temperature    173(2)
_cell_volume                     13121.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.779
_diffrn_measured_fraction_theta_max 0.779
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            116440
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    0.417
_exptl_absorpt_correction_T_max  0.9102
_exptl_absorpt_correction_T_min  0.8186
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6092
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.552
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     921
_refine_ls_number_reflns         12730
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.241
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0616P)²+79.6918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1241
_reflns_number_gt                11177
_reflns_number_total             12730
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc42669f.txt
_cod_data_source_block           12zs_ggkm_mb2_0m
_cod_original_formula_sum        'C68.50 H47 B Cl0.50 F24 N2 P Rh'
_cod_database_code               7109432
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 0.11674(7) 0.19259(15) 0.14728(15) 0.0192(6) Uani 1 1 d . . .
C1S C 0.2556(2) 0.2910(4) 0.4903(5) 0.046(2) Uani 0.50 1 d P . .
C2 C 0.09016(8) 0.28057(16) 0.21893(16) 0.0225(6) Uani 1 1 d . . .
C3 C 0.08725(8) 0.34409(17) 0.17624(17) 0.0244(6) Uani 1 1 d . . .
H3 H 0.1012 0.3497 0.1426 0.029 Uiso 1 1 calc R . .
C4 C 0.06370(8) 0.39970(18) 0.18320(18) 0.0289(7) Uani 1 1 d . . .
H4 H 0.0614 0.4434 0.1540 0.035 Uiso 1 1 calc R . .
C5 C 0.04355(8) 0.39175(19) 0.23246(18) 0.0303(7) Uani 1 1 d . . .
H5 H 0.0275 0.4299 0.2370 0.036 Uiso 1 1 calc R . .
C6 C 0.04683(9) 0.3282(2) 0.27488(18) 0.0337(8) Uani 1 1 d . . .
H6 H 0.0330 0.3229 0.3087 0.040 Uiso 1 1 calc R . .
C7 C 0.07006(8) 0.27211(19) 0.26868(17) 0.0291(7) Uani 1 1 d . . .
H7 H 0.0723 0.2284 0.2980 0.035 Uiso 1 1 calc R . .
C8 C 0.13552(8) 0.18459(19) 0.26861(17) 0.0274(7) Uani 1 1 d . . .
H8 H 0.1379 0.1945 0.3184 0.033 Uiso 1 1 calc R . .
C9 C 0.15259(8) 0.13253(18) 0.24051(17) 0.0285(7) Uani 1 1 d . . .
H9 H 0.1695 0.0985 0.2664 0.034 Uiso 1 1 calc R . .
C10 C 0.15495(8) 0.09702(16) 0.11342(17) 0.0241(6) Uani 1 1 d . . .
H10A H 0.1370 0.0931 0.0675 0.029 Uiso 1 1 calc R . .
H10B H 0.1614 0.0455 0.1312 0.029 Uiso 1 1 calc R . .
C11 C 0.18652(8) 0.13682(16) 0.10051(16) 0.0216(6) Uani 1 1 d . . .
C12 C 0.21860(8) 0.10235(17) 0.12441(17) 0.0273(7) Uani 1 1 d . . .
H12 H 0.2198 0.0539 0.1457 0.033 Uiso 1 1 calc R . .
C13 C 0.24884(8) 0.13731(19) 0.11780(18) 0.0318(7) Uani 1 1 d . . .
H13 H 0.2705 0.1127 0.1342 0.038 Uiso 1 1 calc R . .
C14 C 0.24734(8) 0.20846(18) 0.08716(17) 0.0281(7) Uani 1 1 d . . .
H14 H 0.2680 0.2334 0.0838 0.034 Uiso 1 1 calc R . .
C15 C 0.21549(8) 0.24257(17) 0.06168(16) 0.0227(6) Uani 1 1 d . . .
H15 H 0.2145 0.2906 0.0396 0.027 Uiso 1 1 calc R . .
C16 C 0.18466(7) 0.20800(15) 0.06767(15) 0.0194(6) Uani 1 1 d . . .
C17 C 0.14933(7) 0.27207(16) -0.06308(16) 0.0204(6) Uani 1 1 d . . .
C18 C 0.14834(8) 0.20724(17) -0.10496(17) 0.0256(6) Uani 1 1 d . . .
H18 H 0.1450 0.1597 -0.0851 0.031 Uiso 1 1 calc R . .
C19 C 0.15208(8) 0.21140(17) -0.17499(17) 0.0276(7) Uani 1 1 d . . .
H19 H 0.1515 0.1669 -0.2027 0.033 Uiso 1 1 calc R . .
C20 C 0.15665(8) 0.28046(18) -0.20455(17) 0.0258(6) Uani 1 1 d . . .
H20 H 0.1590 0.2835 -0.2527 0.031 Uiso 1 1 calc R . .
C21 C 0.15782(8) 0.34511(17) -0.16381(16) 0.0235(6) Uani 1 1 d . . .
H21 H 0.1609 0.3925 -0.1843 0.028 Uiso 1 1 calc R . .
C22 C 0.15450(7) 0.34164(16) -0.09336(16) 0.0207(6) Uani 1 1 d . . .
H22 H 0.1557 0.3863 -0.0657 0.025 Uiso 1 1 calc R . .
C23 C 0.15058(7) 0.34992(15) 0.07251(15) 0.0172(5) Uani 1 1 d . . .
C24 C 0.17360(7) 0.35908(16) 0.13937(16) 0.0209(6) Uani 1 1 d . . .
H24 H 0.1886 0.3190 0.1597 0.025 Uiso 1 1 calc R . .
C25 C 0.17491(8) 0.42648(16) 0.17676(16) 0.0236(6) Uani 1 1 d . . .
H25 H 0.1908 0.4322 0.2224 0.028 Uiso 1 1 calc R . .
C26 C 0.15316(8) 0.48519(16) 0.14779(16) 0.0238(6) Uani 1 1 d . . .
H26 H 0.1540 0.5311 0.1736 0.029 Uiso 1 1 calc R . .
C27 C 0.13013(8) 0.47694(16) 0.08104(16) 0.0231(6) Uani 1 1 d . . .
H27 H 0.1154 0.5174 0.0608 0.028 Uiso 1 1 calc R . .
C28 C 0.12860(7) 0.40971(15) 0.04373(15) 0.0200(6) Uani 1 1 d . . .
H28 H 0.1125 0.4041 -0.0017 0.024 Uiso 1 1 calc R . .
C29 C 0.06055(8) 0.26731(19) -0.05495(17) 0.0303(7) Uani 1 1 d . . .
H29 H 0.0735 0.3054 -0.0767 0.036 Uiso 1 1 calc R . .
C30 C 0.06616(9) 0.1943(2) -0.07275(17) 0.0302(7) Uani 1 1 d . . .
H30 H 0.0826 0.1890 -0.1046 0.036 Uiso 1 1 calc R . .
C31 C 0.03935(9) 0.1317(2) -0.08155(19) 0.0361(8) Uani 1 1 d . . .
H31A H 0.0421 0.0980 -0.1210 0.043 Uiso 1 1 calc R . .
H31B H 0.0159 0.1541 -0.0957 0.043 Uiso 1 1 calc R . .
C32 C 0.04239(9) 0.08534(18) -0.01309(19) 0.0341(8) Uani 1 1 d . . .
H32A H 0.0200 0.0599 -0.0156 0.041 Uiso 1 1 calc R . .
H32B H 0.0602 0.0459 -0.0111 0.041 Uiso 1 1 calc R . .
C33 C 0.05193(8) 0.13110(17) 0.05552(18) 0.0278(7) Uani 1 1 d . . .
H33 H 0.0584 0.1005 0.1006 0.033 Uiso 1 1 calc R . .
C34 C 0.03962(8) 0.20187(17) 0.06463(18) 0.0264(6) Uani 1 1 d . . .
H34 H 0.0393 0.2131 0.1157 0.032 Uiso 1 1 calc R . .
C35 C 0.01249(8) 0.24495(19) 0.0102(2) 0.0340(8) Uani 1 1 d . . .
H35A H -0.0018 0.2747 0.0359 0.041 Uiso 1 1 calc R . .
H35B H -0.0030 0.2089 -0.0217 0.041 Uiso 1 1 calc R . .
C36 C 0.02855(9) 0.2979(2) -0.0359(2) 0.0385(8) Uani 1 1 d . . .
H36A H 0.0110 0.3090 -0.0811 0.046 Uiso 1 1 calc R . .
H36B H 0.0346 0.3458 -0.0097 0.046 Uiso 1 1 calc R . .
C37 C 0.11272(7) 0.17790(14) 0.49137(14) 0.0164(5) Uani 1 1 d . . .
C38 C 0.07876(7) 0.16439(15) 0.45057(15) 0.0195(6) Uani 1 1 d . . .
H38 H 0.0605 0.1952 0.4584 0.023 Uiso 1 1 calc R . .
C39 C 0.07089(8) 0.10782(15) 0.39931(16) 0.0228(6) Uani 1 1 d . A .
C40 C 0.09679(8) 0.06091(15) 0.38633(16) 0.0223(6) Uani 1 1 d . . .
H40 H 0.0915 0.0217 0.3517 0.027 Uiso 1 1 calc R . .
C41 C 0.13049(7) 0.07327(15) 0.42542(15) 0.0195(6) Uani 1 1 d . . .
C42 C 0.13831(7) 0.13095(15) 0.47661(15) 0.0187(5) Uani 1 1 d . . .
H42 H 0.1617 0.1384 0.5021 0.022 Uiso 1 1 calc R . .
C43 C 0.15926(8) 0.02419(16) 0.41453(16) 0.0243(6) Uani 1 1 d . . .
C44 C 0.03393(9) 0.09726(18) 0.3580(2) 0.0374(9) Uani 1 1 d . . .
C45 C 0.11045(7) 0.32337(14) 0.49458(15) 0.0168(5) Uani 1 1 d . . .
C46 C 0.13309(7) 0.34488(15) 0.45253(15) 0.0199(6) Uani 1 1 d . . .
H46 H 0.1540 0.3173 0.4566 0.024 Uiso 1 1 calc R . .
C47 C 0.12617(8) 0.40525(16) 0.40490(16) 0.0230(6) Uani 1 1 d . . .
C48 C 0.09588(8) 0.44721(16) 0.39719(16) 0.0246(6) Uani 1 1 d . . .
H48 H 0.0913 0.4893 0.3657 0.030 Uiso 1 1 calc R . .
C49 C 0.07281(8) 0.42556(15) 0.43684(16) 0.0214(6) Uani 1 1 d . . .
C50 C 0.07968(7) 0.36440(15) 0.48416(15) 0.0191(6) Uani 1 1 d . . .
H50 H 0.0630 0.3504 0.5099 0.023 Uiso 1 1 calc R . .
C51 C 0.15172(9) 0.42527(18) 0.36269(17) 0.0304(7) Uani 1 1 d . . .
C52 C 0.03993(8) 0.46850(17) 0.43232(18) 0.0290(7) Uani 1 1 d . . .
C53 C 0.09494(7) 0.24241(15) 0.60431(15) 0.0174(5) Uani 1 1 d . . .
C54 C 0.08345(7) 0.17256(15) 0.62316(15) 0.0201(6) Uani 1 1 d . . .
H54 H 0.0882 0.1288 0.5987 0.024 Uiso 1 1 calc R . .
C55 C 0.06538(7) 0.16521(17) 0.67645(16) 0.0229(6) Uani 1 1 d . . .
C56 C 0.05713(8) 0.22721(19) 0.71245(17) 0.0268(7) Uani 1 1 d . . .
H56 H 0.0444 0.2220 0.7483 0.032 Uiso 1 1 calc R . .
C57 C 0.06799(8) 0.29723(17) 0.69476(16) 0.0243(6) Uani 1 1 d . A .
C58 C 0.08688(7) 0.30412(16) 0.64249(15) 0.0200(6) Uani 1 1 d . . .
H58 H 0.0946 0.3526 0.6324 0.024 Uiso 1 1 calc R . .
C59 C 0.05890(9) 0.3663(2) 0.73076(18) 0.0324(7) Uani 1 1 d . . .
C60 C 0.05621(9) 0.0877(2) 0.69622(19) 0.0346(8) Uani 1 1 d . . .
C61 C 0.15915(7) 0.25117(15) 0.59775(15) 0.0179(5) Uani 1 1 d . . .
C62 C 0.18006(7) 0.31560(15) 0.61010(15) 0.0191(6) Uani 1 1 d . . .
H62 H 0.1717 0.3606 0.5850 0.023 Uiso 1 1 calc R . .
C63 C 0.21266(7) 0.31585(16) 0.65798(16) 0.0220(6) Uani 1 1 d . . .
C64 C 0.22572(8) 0.25188(17) 0.69643(16) 0.0244(6) Uani 1 1 d . . .
H64 H 0.2478 0.2522 0.7294 0.029 Uiso 1 1 calc R . .
C65 C 0.20554(8) 0.18729(16) 0.68530(16) 0.0233(6) Uani 1 1 d . . .
C66 C 0.17301(7) 0.18707(16) 0.63749(15) 0.0205(6) Uani 1 1 d . . .
H66 H 0.1597 0.1421 0.6315 0.025 Uiso 1 1 calc R . .
C67 C 0.23319(8) 0.38730(18) 0.67040(18) 0.0285(7) Uani 1 1 d . . .
C68 C 0.21972(9) 0.11723(17) 0.72535(19) 0.0324(7) Uani 1 1 d . . .
N1 N 0.11360(6) 0.22157(13) 0.21091(13) 0.0210(5) Uani 1 1 d . . .
N2 N 0.14086(6) 0.13780(13) 0.16618(13) 0.0222(5) Uani 1 1 d . . .
F1 F 0.18634(5) 0.06390(11) 0.40462(12) 0.0383(5) Uani 1 1 d . . .
F2 F 0.17131(5) -0.02121(11) 0.47099(10) 0.0375(5) Uani 1 1 d . . .
F3 F 0.14970(5) -0.02097(11) 0.35702(10) 0.0365(5) Uani 1 1 d . . .
F5 F 0.01758(5) 0.16136(10) 0.33878(11) 0.0342(4) Uani 1 1 d . A .
F7 F 0.17916(6) 0.46227(16) 0.40232(13) 0.0613(7) Uani 1 1 d . . .
F8 F 0.16388(6) 0.36507(12) 0.33516(12) 0.0463(6) Uani 1 1 d . . .
F9 F 0.13875(7) 0.47058(12) 0.30702(12) 0.0474(6) Uani 1 1 d . . .
F10 F 0.03350(7) 0.51899(15) 0.37944(15) 0.0662(8) Uani 1 1 d . . .
F11 F 0.04039(6) 0.50578(13) 0.49297(12) 0.0506(6) Uani 1 1 d . . .
F12 F 0.01215(5) 0.42413(12) 0.42145(14) 0.0515(6) Uani 1 1 d . . .
F13 F 0.08438(7) 0.41858(16) 0.74303(18) 0.0749(9) Uani 1 1 d . A .
F14 F 0.03294(7) 0.40398(14) 0.69037(15) 0.0667(8) Uani 1 1 d . A .
F16 F 0.04324(7) 0.04481(12) 0.63866(13) 0.0513(6) Uani 1 1 d . . .
F17 F 0.08348(7) 0.05115(16) 0.73421(19) 0.0856(11) Uani 1 1 d . . .
F18 F 0.03189(7) 0.08749(15) 0.73339(14) 0.0622(7) Uani 1 1 d . . .
F19 F 0.22881(6) 0.42914(12) 0.61082(12) 0.0476(6) Uani 1 1 d . . .
F20 F 0.22414(5) 0.43107(10) 0.72019(11) 0.0354(4) Uani 1 1 d . . .
F21 F 0.26736(5) 0.37524(12) 0.69461(13) 0.0439(5) Uani 1 1 d . . .
F22 F 0.24255(6) 0.08251(13) 0.69462(15) 0.0573(6) Uani 1 1 d . . .
F23 F 0.19539(6) 0.06564(11) 0.72654(12) 0.0447(5) Uani 1 1 d . . .
F24 F 0.23644(7) 0.13037(13) 0.79297(13) 0.0632(8) Uani 1 1 d . . .
P1 P 0.144151(18) 0.25841(4) 0.02829(4) 0.01706(15) Uani 1 1 d . . .
Rh1 Rh 0.091925(5) 0.213464(11) 0.043030(12) 0.01773(8) Uani 1 1 d . . .
B1 B 0.11945(8) 0.24946(16) 0.54700(17) 0.0173(6) Uani 1 1 d . . .
Cl1S Cl 0.21905(4) 0.23975(11) 0.44170(10) 0.0712(7) Uani 0.783(5) 1 d P . .
F4A F 0.0359(3) 0.0786(11) 0.2828(7) 0.062(5) Uani 0.48(3) 1 d P A 1
F6A F 0.0170(3) 0.0510(9) 0.3760(13) 0.082(7) Uani 0.48(3) 1 d P A 1
F15A F 0.0440(7) 0.3501(10) 0.7830(11) 0.128(8) Uani 0.48(3) 1 d P A 1
F4B F 0.02883(15) 0.0445(7) 0.3117(7) 0.050(3) Uani 0.52(3) 1 d P A 2
F15B F 0.0589(5) 0.3574(8) 0.7968(5) 0.096(5) Uani 0.52(3) 1 d P A 2
F6B F 0.0146(2) 0.0702(5) 0.4089(6) 0.0385(19) Uani 0.52(3) 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 C1 N1 104.3(2) . .
N2 C1 Rh1 122.5(2) . .
N1 C1 Rh1 133.1(2) . .
Cl1S C1S C1S 69.0(7) 7_556 7_556
Cl1S C1S Cl1S 123.0(5) 7_556 .
C1S C1S Cl1S 54.0(5) 7_556 .
C3 C2 C7 120.9(3) . .
C3 C2 N1 119.8(3) . .
C7 C2 N1 119.3(3) . .
C2 C3 C4 119.1(3) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C5 C4 C3 120.4(3) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C6 C5 C4 119.8(3) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 120.7(3) . .
C5 C6 H6 119.7 . .
C7 C6 H6 119.7 . .
C6 C7 C2 119.1(3) . .
C6 C7 H7 120.5 . .
C2 C7 H7 120.4 . .
C9 C8 N1 106.8(3) . .
C9 C8 H8 126.6 . .
N1 C8 H8 126.6 . .
C8 C9 N2 106.8(3) . .
C8 C9 H9 126.6 . .
N2 C9 H9 126.6 . .
N2 C10 C11 110.7(2) . .
N2 C10 H10A 109.5 . .
C11 C10 H10A 109.5 . .
N2 C10 H10B 109.5 . .
C11 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C12 C11 C16 119.3(3) . .
C12 C11 C10 118.1(3) . .
C16 C11 C10 122.6(3) . .
C13 C12 C11 121.3(3) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C14 119.8(3) . .
C12 C13 H13 120.1 . .
C14 C13 H13 120.1 . .
C15 C14 C13 119.4(3) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C16 121.5(3) . .
C14 C15 H15 119.2 . .
C16 C15 H15 119.2 . .
C15 C16 C11 118.7(3) . .
C15 C16 P1 116.7(2) . .
C11 C16 P1 124.6(2) . .
C18 C17 C22 118.5(3) . .
C18 C17 P1 116.4(2) . .
C22 C17 P1 125.1(2) . .
C19 C18 C17 121.0(3) . .
C19 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
C20 C19 C18 119.9(3) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.1 . .
C19 C20 C21 119.9(3) . .
C19 C20 H20 120.1 . .
C21 C20 H20 120.1 . .
C20 C21 C22 120.8(3) . .
C20 C21 H21 119.6 . .
C22 C21 H21 119.6 . .
C21 C22 C17 119.9(3) . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
C24 C23 C28 118.7(3) . .
C24 C23 P1 121.2(2) . .
C28 C23 P1 119.4(2) . .
C23 C24 C25 120.6(3) . .
C23 C24 H24 119.7 . .
C25 C24 H24 119.7 . .
C26 C25 C24 120.2(3) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 119.9(3) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C26 C27 C28 120.1(3) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C27 C28 C23 120.5(3) . .
C27 C28 H28 119.8 . .
C23 C28 H28 119.8 . .
C30 C29 C36 126.7(3) . .
C30 C29 Rh1 72.99(18) . .
C36 C29 Rh1 106.8(2) . .
C30 C29 H29 114.0 . .
C36 C29 H29 114.0 . .
Rh1 C29 H29 114.0 . .
C29 C30 C31 124.6(3) . .
C29 C30 Rh1 70.86(18) . .
C31 C30 Rh1 111.3(2) . .
C29 C30 H30 114.1 . .
C31 C30 H30 114.1 . .
Rh1 C30 H30 114.1 . .
C30 C31 C32 113.1(3) . .
C30 C31 H31A 109.0 . .
C32 C31 H31A 109.0 . .
C30 C31 H31B 109.0 . .
C32 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
C33 C32 C31 113.8(3) . .
C33 C32 H32A 108.8 . .
C31 C32 H32A 108.8 . .
C33 C32 H32B 108.8 . .
C31 C32 H32B 108.8 . .
H32A C32 H32B 107.7 . .
C34 C33 C32 125.5(3) . .
C34 C33 Rh1 72.26(17) . .
C32 C33 Rh1 107.3(2) . .
C34 C33 H33 114.4 . .
C32 C33 H33 114.4 . .
Rh1 C33 H33 114.4 . .
C33 C34 C35 126.3(3) . .
C33 C34 Rh1 71.62(18) . .
C35 C34 Rh1 111.5(2) . .
C33 C34 H34 113.3 . .
C35 C34 H34 113.3 . .
Rh1 C34 H34 113.3 . .
C34 C35 C36 112.4(3) . .
C34 C35 H35A 109.1 . .
C36 C35 H35A 109.1 . .
C34 C35 H35B 109.1 . .
C36 C35 H35B 109.1 . .
H35A C35 H35B 107.9 . .
C29 C36 C35 114.3(3) . .
C29 C36 H36A 108.7 . .
C35 C36 H36A 108.7 . .
C29 C36 H36B 108.7 . .
C35 C36 H36B 108.7 . .
H36A C36 H36B 107.6 . .
C42 C37 C38 115.7(2) . .
C42 C37 B1 125.7(2) . .
C38 C37 B1 118.5(2) . .
C39 C38 C37 122.5(3) . .
C39 C38 H38 118.7 . .
C37 C38 H38 118.7 . .
C38 C39 C40 120.7(3) . .
C38 C39 C44 119.2(3) . .
C40 C39 C44 120.1(3) . .
C41 C40 C39 117.9(3) . .
C41 C40 H40 121.0 . .
C39 C40 H40 121.0 . .
C40 C41 C42 121.0(3) . .
C40 C41 C43 120.3(3) . .
C42 C41 C43 118.6(3) . .
C37 C42 C41 122.1(3) . .
C37 C42 H42 119.0 . .
C41 C42 H42 119.0 . .
F1 C43 F3 106.1(2) . .
F1 C43 F2 106.8(3) . .
F3 C43 F2 105.9(2) . .
F1 C43 C41 112.4(2) . .
F3 C43 C41 113.0(3) . .
F2 C43 C41 112.1(2) . .
F6A C44 F4B 71.3(9) . .
F6A C44 F5 114.4(10) . .
F4B C44 F5 117.3(6) . .
F6A C44 F6B 30.3(12) . .
F4B C44 F6B 101.5(6) . .
F5 C44 F6B 99.6(4) . .
F6A C44 F4A 107.2(8) . .
F4B C44 F4A 37.2(4) . .
F5 C44 F4A 93.5(6) . .
F6B C44 F4A 136.5(7) . .
F6A C44 C39 119.5(6) . .
F4B C44 C39 115.4(4) . .
F5 C44 C39 113.0(3) . .
F6B C44 C39 107.2(5) . .
F4A C44 C39 105.2(6) . .
C50 C45 C46 116.0(2) . .
C50 C45 B1 124.1(2) . .
C46 C45 B1 119.7(2) . .
C47 C46 C45 122.4(3) . .
C47 C46 H46 118.8 . .
C45 C46 H46 118.8 . .
C46 C47 C48 120.7(3) . .
C46 C47 C51 119.2(3) . .
C48 C47 C51 120.1(3) . .
C49 C48 C47 117.7(3) . .
C49 C48 H48 121.2 . .
C47 C48 H48 121.2 . .
C48 C49 C50 121.4(3) . .
C48 C49 C52 120.9(3) . .
C50 C49 C52 117.7(3) . .
C45 C50 C49 121.7(3) . .
C45 C50 H50 119.1 . .
C49 C50 H50 119.2 . .
F8 C51 F9 106.1(3) . .
F8 C51 F7 107.1(3) . .
F9 C51 F7 105.0(3) . .
F8 C51 C47 112.5(3) . .
F9 C51 C47 113.3(3) . .
F7 C51 C47 112.3(3) . .
F12 C52 F10 106.4(3) . .
F12 C52 F11 105.5(3) . .
F10 C52 F11 106.6(3) . .
F12 C52 C49 112.7(2) . .
F10 C52 C49 113.1(3) . .
F11 C52 C49 112.1(3) . .
C58 C53 C54 115.6(3) . .
C58 C53 B1 122.6(2) . .
C54 C53 B1 121.6(2) . .
C55 C54 C53 122.1(3) . .
C55 C54 H54 118.9 . .
C53 C54 H54 118.9 . .
C56 C55 C54 121.2(3) . .
C56 C55 C60 120.5(3) . .
C54 C55 C60 118.2(3) . .
C55 C56 C57 118.0(3) . .
C55 C56 H56 121.0 . .
C57 C56 H56 121.0 . .
C56 C57 C58 120.5(3) . .
C56 C57 C59 120.1(3) . .
C58 C57 C59 119.4(3) . .
C57 C58 C53 122.5(3) . .
C57 C58 H58 118.8 . .
C53 C58 H58 118.7 . .
F15B C59 F15A 26.8(14) . .
F15B C59 F14 117.2(8) . .
F15A C59 F14 97.1(12) . .
F15B C59 F13 95.4(9) . .
F15A C59 F13 118.5(13) . .
F14 C59 F13 101.5(3) . .
F15B C59 C57 114.4(7) . .
F15A C59 C57 112.0(8) . .
F14 C59 C57 113.1(3) . .
F13 C59 C57 113.0(3) . .
F17 C60 F18 108.0(3) . .
F17 C60 F16 105.9(3) . .
F18 C60 F16 104.7(3) . .
F17 C60 C55 112.0(3) . .
F18 C60 C55 113.0(3) . .
F16 C60 C55 112.7(3) . .
C62 C61 C66 115.7(3) . .
C62 C61 B1 124.1(2) . .
C66 C61 B1 120.0(2) . .
C63 C62 C61 122.1(3) . .
C63 C62 H62 118.9 . .
C61 C62 H62 118.9 . .
C64 C63 C62 121.0(3) . .
C64 C63 C67 119.5(3) . .
C62 C63 C67 119.4(3) . .
C63 C64 C65 118.1(3) . .
C63 C64 H64 121.0 . .
C65 C64 H64 121.0 . .
C64 C65 C66 120.9(3) . .
C64 C65 C68 118.6(3) . .
C66 C65 C68 120.5(3) . .
C65 C66 C61 122.2(3) . .
C65 C66 H66 118.9 . .
C61 C66 H66 118.9 . .
F19 C67 F21 107.1(3) . .
F19 C67 F20 106.2(3) . .
F21 C67 F20 105.7(2) . .
F19 C67 C63 112.6(3) . .
F21 C67 C63 112.7(3) . .
F20 C67 C63 112.0(3) . .
F24 C68 F23 107.3(3) . .
F24 C68 F22 106.0(3) . .
F23 C68 F22 105.0(3) . .
F24 C68 C65 112.9(3) . .
F23 C68 C65 113.3(3) . .
F22 C68 C65 111.6(3) . .
C1 N1 C8 110.8(2) . .
C1 N1 C2 125.3(2) . .
C8 N1 C2 123.9(3) . .
C1 N2 C9 111.2(3) . .
C1 N2 C10 122.6(2) . .
C9 N2 C10 125.8(3) . .
C23 P1 C17 106.83(13) . .
C23 P1 C16 103.62(13) . .
C17 P1 C16 99.58(13) . .
C23 P1 Rh1 106.37(9) . .
C17 P1 Rh1 118.53(9) . .
C16 P1 Rh1 120.41(10) . .
C1 Rh1 C29 162.53(13) . .
C1 Rh1 C33 87.90(11) . .
C29 Rh1 C33 96.12(12) . .
C1 Rh1 C34 93.07(12) . .
C29 Rh1 C34 80.62(12) . .
C33 Rh1 C34 36.12(11) . .
C1 Rh1 C30 160.58(12) . .
C29 Rh1 C30 36.15(13) . .
C33 Rh1 C30 80.63(12) . .
C34 Rh1 C30 86.89(12) . .
C1 Rh1 P1 86.93(8) . .
C29 Rh1 P1 94.91(9) . .
C33 Rh1 P1 158.92(9) . .
C34 Rh1 P1 164.71(8) . .
C30 Rh1 P1 98.15(9) . .
C61 B1 C37 112.4(2) . .
C61 B1 C45 112.5(2) . .
C37 B1 C45 104.4(2) . .
C61 B1 C53 104.4(2) . .
C37 B1 C53 110.2(2) . .
C45 B1 C53 113.2(2) . .
C1S Cl1S C1S 57.0(5) 7_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.353(4) .
C1 N1 1.355(4) .
C1 Rh1 2.033(3) .
C1S Cl1S 1.539(10) 7_556
C1S C1S 1.595(15) 7_556
C1S Cl1S 1.775(9) .
C2 C3 1.383(4) .
C2 C7 1.391(4) .
C2 N1 1.436(4) .
C3 C4 1.390(4) .
C3 H3 0.9500 .
C4 C5 1.384(5) .
C4 H4 0.9500 .
C5 C6 1.379(5) .
C5 H5 0.9500 .
C6 C7 1.384(5) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C9 1.336(5) .
C8 N1 1.394(4) .
C8 H8 0.9500 .
C9 N2 1.388(4) .
C9 H9 0.9500 .
C10 N2 1.461(4) .
C10 C11 1.512(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.388(4) .
C11 C16 1.408(4) .
C12 C13 1.386(5) .
C12 H12 0.9500 .
C13 C14 1.390(5) .
C13 H13 0.9500 .
C14 C15 1.382(4) .
C14 H14 0.9500 .
C15 C16 1.400(4) .
C15 H15 0.9500 .
C16 P1 1.837(3) .
C17 C18 1.400(4) .
C17 C22 1.403(4) .
C17 P1 1.825(3) .
C18 C19 1.385(5) .
C18 H18 0.9500 .
C19 C20 1.383(4) .
C19 H19 0.9500 .
C20 C21 1.384(4) .
C20 H20 0.9500 .
C21 C22 1.387(4) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.390(4) .
C23 C28 1.402(4) .
C23 P1 1.824(3) .
C24 C25 1.391(4) .
C24 H24 0.9500 .
C25 C26 1.383(4) .
C25 H25 0.9500 .
C26 C27 1.386(4) .
C26 H26 0.9500 .
C27 C28 1.387(4) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.375(5) .
C29 C36 1.506(5) .
C29 Rh1 2.202(3) .
C29 H29 1.0000 .
C30 C31 1.521(5) .
C30 Rh1 2.229(3) .
C30 H30 1.0000 .
C31 C32 1.528(5) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.512(5) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.377(4) .
C33 Rh1 2.217(3) .
C33 H33 1.0000 .
C34 C35 1.514(5) .
C34 Rh1 2.225(3) .
C34 H34 1.0000 .
C35 C36 1.531(5) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C42 1.397(4) .
C37 C38 1.406(4) .
C37 B1 1.639(4) .
C38 C39 1.387(4) .
C38 H38 0.9500 .
C39 C40 1.394(4) .
C39 C44 1.502(4) .
C40 C41 1.384(4) .
C40 H40 0.9500 .
C41 C42 1.400(4) .
C41 C43 1.493(4) .
C42 H42 0.9500 .
C43 F1 1.339(4) .
C43 F3 1.341(4) .
C43 F2 1.341(3) .
C44 F6A 1.167(11) .
C44 F4B 1.273(6) .
C44 F5 1.320(4) .
C44 F6B 1.461(9) .
C44 F4A 1.496(13) .
C45 C50 1.396(4) .
C45 C46 1.398(4) .
C45 B1 1.640(4) .
C46 C47 1.392(4) .
C46 H46 0.9500 .
C47 C48 1.393(4) .
C47 C51 1.486(4) .
C48 C49 1.379(4) .
C48 H48 0.9500 .
C49 C50 1.399(4) .
C49 C52 1.498(4) .
C50 H50 0.9500 .
C51 F8 1.335(4) .
C51 F9 1.335(4) .
C51 F7 1.340(4) .
C52 F12 1.332(4) .
C52 F10 1.330(4) .
C52 F11 1.333(4) .
C53 C58 1.398(4) .
C53 C54 1.401(4) .
C53 B1 1.639(4) .
C54 C55 1.388(4) .
C54 H54 0.9500 .
C55 C56 1.381(5) .
C55 C60 1.498(4) .
C56 C57 1.387(5) .
C56 H56 0.9500 .
C57 C58 1.394(4) .
C57 C59 1.495(4) .
C58 H58 0.9500 .
C59 F15B 1.274(11) .
C59 F15A 1.313(13) .
C59 F14 1.313(4) .
C59 F13 1.353(4) .
C60 F17 1.320(4) .
C60 F18 1.332(4) .
C60 F16 1.336(4) .
C61 C62 1.402(4) .
C61 C66 1.407(4) .
C61 B1 1.640(4) .
C62 C63 1.393(4) .
C62 H62 0.9500 .
C63 C64 1.386(4) .
C63 C67 1.498(4) .
C64 C65 1.388(4) .
C64 H64 0.9500 .
C65 C66 1.390(4) .
C65 C68 1.500(4) .
C66 H66 0.9500 .
C67 F19 1.337(4) .
C67 F21 1.341(4) .
C67 F20 1.345(4) .
C68 F24 1.324(4) .
C68 F23 1.337(4) .
C68 F22 1.345(4) .
P1 Rh1 2.3046(7) .
Cl1S C1S 1.539(10) 7_556
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C7 C2 C3 C4 -0.4(4) . .
N1 C2 C3 C4 178.1(3) . .
C2 C3 C4 C5 0.3(5) . .
C3 C4 C5 C6 -0.1(5) . .
C4 C5 C6 C7 -0.1(5) . .
C5 C6 C7 C2 0.0(5) . .
C3 C2 C7 C6 0.3(5) . .
N1 C2 C7 C6 -178.3(3) . .
N1 C8 C9 N2 -0.3(3) . .
N2 C10 C11 C12 111.4(3) . .
N2 C10 C11 C16 -66.4(4) . .
C16 C11 C12 C13 1.3(5) . .
C10 C11 C12 C13 -176.6(3) . .
C11 C12 C13 C14 0.4(5) . .
C12 C13 C14 C15 -1.9(5) . .
C13 C14 C15 C16 1.7(5) . .
C14 C15 C16 C11 0.0(4) . .
C14 C15 C16 P1 -177.7(2) . .
C12 C11 C16 C15 -1.4(4) . .
C10 C11 C16 C15 176.3(3) . .
C12 C11 C16 P1 176.1(2) . .
C10 C11 C16 P1 -6.2(4) . .
C22 C17 C18 C19 -0.5(4) . .
P1 C17 C18 C19 -179.9(2) . .
C17 C18 C19 C20 -0.4(5) . .
C18 C19 C20 C21 0.7(5) . .
C19 C20 C21 C22 0.1(5) . .
C20 C21 C22 C17 -1.0(4) . .
C18 C17 C22 C21 1.2(4) . .
P1 C17 C22 C21 -179.5(2) . .
C28 C23 C24 C25 -0.3(4) . .
P1 C23 C24 C25 -171.4(2) . .
C23 C24 C25 C26 0.2(4) . .
C24 C25 C26 C27 -0.4(4) . .
C25 C26 C27 C28 0.7(4) . .
C26 C27 C28 C23 -0.9(4) . .
C24 C23 C28 C27 0.7(4) . .
P1 C23 C28 C27 172.0(2) . .
C36 C29 C30 C31 4.6(5) . .
Rh1 C29 C30 C31 103.1(3) . .
C36 C29 C30 Rh1 -98.5(3) . .
C29 C30 C31 C32 -94.5(4) . .
Rh1 C30 C31 C32 -13.7(4) . .
C30 C31 C32 C33 37.3(4) . .
C31 C32 C33 C34 39.3(5) . .
C31 C32 C33 Rh1 -40.9(3) . .
C32 C33 C34 C35 4.7(5) . .
Rh1 C33 C34 C35 103.6(3) . .
C32 C33 C34 Rh1 -99.0(3) . .
C33 C34 C35 C36 -94.1(4) . .
Rh1 C34 C35 C36 -11.6(3) . .
C30 C29 C36 C35 38.8(5) . .
Rh1 C29 C36 C35 -42.1(3) . .
C34 C35 C36 C29 36.7(4) . .
C42 C37 C38 C39 0.5(4) . .
B1 C37 C38 C39 176.3(3) . .
C37 C38 C39 C40 0.5(4) . .
C37 C38 C39 C44 -179.9(3) . .
C38 C39 C40 C41 -0.8(4) . .
C44 C39 C40 C41 179.5(3) . .
C39 C40 C41 C42 0.2(4) . .
C39 C40 C41 C43 179.2(3) . .
C38 C37 C42 C41 -1.2(4) . .
B1 C37 C42 C41 -176.6(3) . .
C40 C41 C42 C37 0.8(4) . .
C43 C41 C42 C37 -178.2(3) . .
C40 C41 C43 F1 130.7(3) . .
C42 C41 C43 F1 -50.2(4) . .
C40 C41 C43 F3 10.7(4) . .
C42 C41 C43 F3 -170.3(2) . .
C40 C41 C43 F2 -108.9(3) . .
C42 C41 C43 F2 70.1(3) . .
C38 C39 C44 F6A -98.4(18) . .
C40 C39 C44 F6A 81.3(18) . .
C38 C39 C44 F4B 179.6(10) . .
C40 C39 C44 F4B -0.7(10) . .
C38 C39 C44 F5 40.7(5) . .
C40 C39 C44 F5 -139.7(3) . .
C38 C39 C44 F6B -68.1(5) . .
C40 C39 C44 F6B 111.6(5) . .
C38 C39 C44 F4A 141.3(9) . .
C40 C39 C44 F4A -39.1(9) . .
C50 C45 C46 C47 2.3(4) . .
B1 C45 C46 C47 177.4(2) . .
C45 C46 C47 C48 0.0(4) . .
C45 C46 C47 C51 179.3(3) . .
C46 C47 C48 C49 -1.6(4) . .
C51 C47 C48 C49 179.1(3) . .
C47 C48 C49 C50 1.0(4) . .
C47 C48 C49 C52 179.1(3) . .
C46 C45 C50 C49 -2.9(4) . .
B1 C45 C50 C49 -177.8(2) . .
C48 C49 C50 C45 1.3(4) . .
C52 C49 C50 C45 -176.8(3) . .
C46 C47 C51 F8 43.9(4) . .
C48 C47 C51 F8 -136.8(3) . .
C46 C47 C51 F9 164.2(3) . .
C48 C47 C51 F9 -16.5(4) . .
C46 C47 C51 F7 -77.0(4) . .
C48 C47 C51 F7 102.3(3) . .
C48 C49 C52 F12 130.9(3) . .
C50 C49 C52 F12 -51.0(4) . .
C48 C49 C52 F10 10.2(4) . .
C50 C49 C52 F10 -171.7(3) . .
C48 C49 C52 F11 -110.3(3) . .
C50 C49 C52 F11 67.8(4) . .
C58 C53 C54 C55 -0.3(4) . .
B1 C53 C54 C55 174.0(3) . .
C53 C54 C55 C56 1.5(4) . .
C53 C54 C55 C60 -176.0(3) . .
C54 C55 C56 C57 -1.2(4) . .
C60 C55 C56 C57 176.4(3) . .
C55 C56 C57 C58 -0.5(4) . .
C55 C56 C57 C59 178.3(3) . .
C56 C57 C58 C53 1.8(4) . .
C59 C57 C58 C53 -177.0(3) . .
C54 C53 C58 C57 -1.4(4) . .
B1 C53 C58 C57 -175.5(3) . .
C56 C57 C59 F15B 36.1(11) . .
C58 C57 C59 F15B -145.1(10) . .
C56 C57 C59 F15A 7.0(15) . .
C58 C57 C59 F15A -174.2(15) . .
C56 C57 C59 F14 -101.5(4) . .
C58 C57 C59 F14 77.3(4) . .
C56 C57 C59 F13 143.9(3) . .
C58 C57 C59 F13 -37.3(4) . .
C56 C55 C60 F17 -103.8(4) . .
C54 C55 C60 F17 73.8(4) . .
C56 C55 C60 F18 18.4(4) . .
C54 C55 C60 F18 -164.0(3) . .
C56 C55 C60 F16 136.9(3) . .
C54 C55 C60 F16 -45.5(4) . .
C66 C61 C62 C63 0.8(4) . .
B1 C61 C62 C63 175.0(3) . .
C61 C62 C63 C64 -0.8(4) . .
C61 C62 C63 C67 -178.1(3) . .
C62 C63 C64 C65 0.7(4) . .
C67 C63 C64 C65 178.0(3) . .
C63 C64 C65 C66 -0.6(5) . .
C63 C64 C65 C68 178.7(3) . .
C64 C65 C66 C61 0.7(5) . .
C68 C65 C66 C61 -178.6(3) . .
C62 C61 C66 C65 -0.8(4) . .
B1 C61 C66 C65 -175.2(3) . .
C64 C63 C67 F19 147.2(3) . .
C62 C63 C67 F19 -35.5(4) . .
C64 C63 C67 F21 25.8(4) . .
C62 C63 C67 F21 -156.8(3) . .
C64 C63 C67 F20 -93.2(3) . .
C62 C63 C67 F20 84.2(3) . .
C64 C65 C68 F24 40.3(4) . .
C66 C65 C68 F24 -140.4(3) . .
C64 C65 C68 F23 162.6(3) . .
C66 C65 C68 F23 -18.1(4) . .
C64 C65 C68 F22 -79.1(4) . .
C66 C65 C68 F22 100.2(4) . .
N2 C1 N1 C8 -0.3(3) . .
Rh1 C1 N1 C8 176.3(2) . .
N2 C1 N1 C2 -178.3(2) . .
Rh1 C1 N1 C2 -1.7(4) . .
C9 C8 N1 C1 0.4(3) . .
C9 C8 N1 C2 178.4(3) . .
C3 C2 N1 C1 -45.7(4) . .
C7 C2 N1 C1 132.8(3) . .
C3 C2 N1 C8 136.5(3) . .
C7 C2 N1 C8 -44.9(4) . .
N1 C1 N2 C9 0.1(3) . .
Rh1 C1 N2 C9 -177.0(2) . .
N1 C1 N2 C10 -173.2(2) . .
Rh1 C1 N2 C10 9.7(4) . .
C8 C9 N2 C1 0.2(3) . .
C8 C9 N2 C10 173.2(3) . .
C11 C10 N2 C1 89.3(3) . .
C11 C10 N2 C9 -83.0(3) . .
C24 C23 P1 C17 -128.9(2) . .
C28 C23 P1 C17 60.1(2) . .
C24 C23 P1 C16 -24.2(3) . .
C28 C23 P1 C16 164.7(2) . .
C24 C23 P1 Rh1 103.6(2) . .
C28 C23 P1 Rh1 -67.4(2) . .
C18 C17 P1 C23 174.8(2) . .
C22 C17 P1 C23 -4.6(3) . .
C18 C17 P1 C16 67.3(2) . .
C22 C17 P1 C16 -112.0(3) . .
C18 C17 P1 Rh1 -65.3(2) . .
C22 C17 P1 Rh1 115.4(2) . .
C15 C16 P1 C23 -55.9(3) . .
C11 C16 P1 C23 126.5(3) . .
C15 C16 P1 C17 54.2(2) . .
C11 C16 P1 C17 -123.4(3) . .
C15 C16 P1 Rh1 -174.49(19) . .
C11 C16 P1 Rh1 7.9(3) . .
N2 C1 Rh1 C29 -166.6(3) . .
N1 C1 Rh1 C29 17.4(5) . .
N2 C1 Rh1 C33 89.6(2) . .
N1 C1 Rh1 C33 -86.5(3) . .
N2 C1 Rh1 C34 125.4(2) . .
N1 C1 Rh1 C34 -50.7(3) . .
N2 C1 Rh1 C30 36.0(5) . .
N1 C1 Rh1 C30 -140.0(3) . .
N2 C1 Rh1 P1 -69.9(2) . .
N1 C1 Rh1 P1 114.0(3) . .
C30 C29 Rh1 C1 -167.5(3) . .
C36 C29 Rh1 C1 -43.4(5) . .
C30 C29 Rh1 C33 -64.9(2) . .
C36 C29 Rh1 C33 59.2(2) . .
C30 C29 Rh1 C34 -97.6(2) . .
C36 C29 Rh1 C34 26.5(2) . .
C36 C29 Rh1 C30 124.1(3) . .
C30 C29 Rh1 P1 97.10(19) . .
C36 C29 Rh1 P1 -138.8(2) . .
C34 C33 Rh1 C1 98.1(2) . .
C32 C33 Rh1 C1 -139.3(2) . .
C34 C33 Rh1 C29 -64.8(2) . .
C32 C33 Rh1 C29 57.7(2) . .
C32 C33 Rh1 C34 122.6(3) . .
C34 C33 Rh1 C30 -97.6(2) . .
C32 C33 Rh1 C30 24.9(2) . .
C34 C33 Rh1 P1 173.99(19) . .
C32 C33 Rh1 P1 -63.4(4) . .
C33 C34 Rh1 C1 -82.2(2) . .
C35 C34 Rh1 C1 155.2(2) . .
C33 C34 Rh1 C29 114.2(2) . .
C35 C34 Rh1 C29 -8.4(2) . .
C35 C34 Rh1 C33 -122.6(3) . .
C33 C34 Rh1 C30 78.3(2) . .
C35 C34 Rh1 C30 -44.3(2) . .
C33 C34 Rh1 P1 -171.8(3) . .
C35 C34 Rh1 P1 65.6(4) . .
C29 C30 Rh1 C1 168.7(3) . .
C31 C30 Rh1 C1 48.1(5) . .
C31 C30 Rh1 C29 -120.6(3) . .
C29 C30 Rh1 C33 114.1(2) . .
C31 C30 Rh1 C33 -6.5(2) . .
C29 C30 Rh1 C34 78.3(2) . .
C31 C30 Rh1 C34 -42.3(2) . .
C29 C30 Rh1 P1 -87.16(19) . .
C31 C30 Rh1 P1 152.2(2) . .
C23 P1 Rh1 C1 -74.45(12) . .
C17 P1 Rh1 C1 165.33(13) . .
C16 P1 Rh1 C1 42.74(14) . .
C23 P1 Rh1 C29 88.14(13) . .
C17 P1 Rh1 C29 -32.08(14) . .
C16 P1 Rh1 C29 -154.67(14) . .
C23 P1 Rh1 C33 -150.5(3) . .
C17 P1 Rh1 C33 89.3(3) . .
C16 P1 Rh1 C33 -33.3(3) . .
C23 P1 Rh1 C34 16.0(3) . .
C17 P1 Rh1 C34 -104.3(3) . .
C16 P1 Rh1 C34 133.1(3) . .
C23 P1 Rh1 C30 124.39(13) . .
C17 P1 Rh1 C30 4.17(14) . .
C16 P1 Rh1 C30 -118.42(14) . .
C62 C61 B1 C37 133.6(3) . .
C66 C61 B1 C37 -52.5(3) . .
C62 C61 B1 C45 16.1(4) . .
C66 C61 B1 C45 -170.0(2) . .
C62 C61 B1 C53 -107.0(3) . .
C66 C61 B1 C53 66.9(3) . .
C42 C37 B1 C61 -12.0(4) . .
C38 C37 B1 C61 172.7(2) . .
C42 C37 B1 C45 110.2(3) . .
C38 C37 B1 C45 -65.1(3) . .
C42 C37 B1 C53 -127.9(3) . .
C38 C37 B1 C53 56.7(3) . .
C50 C45 B1 C61 -135.3(3) . .
C46 C45 B1 C61 50.0(3) . .
C50 C45 B1 C37 102.6(3) . .
C46 C45 B1 C37 -72.1(3) . .
C50 C45 B1 C53 -17.3(4) . .
C46 C45 B1 C53 168.0(2) . .
C58 C53 B1 C61 79.6(3) . .
C54 C53 B1 C61 -94.2(3) . .
C58 C53 B1 C37 -159.6(2) . .
C54 C53 B1 C37 26.6(3) . .
C58 C53 B1 C45 -43.1(3) . .
C54 C53 B1 C45 143.1(2) . .
Cl1S C1S Cl1S C1S 0.000(2) 7_556 7_556
