#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:01:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179089 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/51/4305125.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_4305125
loop_
_publ_author_name
'Shigeki Mori'
'Atsuhiro Osuka'
_publ_section_title
;
Heterobismetal Complexes of [26]Hexaphyrin(1.1.1.1.1.1)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3937
_journal_page_last               3939
_journal_paper_doi               10.1021/ic8004147
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C90.27 H48.82 Au Cl5.59 F30 N8 Rh'
_chemical_formula_weight         2313.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.845(13)
_cell_angle_beta                 107.214(10)
_cell_angle_gamma                111.515(12)
_cell_formula_units_Z            2
_cell_length_a                   17.223(4)
_cell_length_b                   17.784(7)
_cell_length_c                   18.132(6)
_cell_measurement_reflns_used    34922
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.1
_cell_volume                     4457(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41660
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    2.111
_exptl_absorpt_correction_T_max  0.8166
_exptl_absorpt_correction_T_min  0.3640
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2271
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.304
_refine_diff_density_min         -2.481
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1292
_refine_ls_number_reflns         19767
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0870P)²+10.0569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1476
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                16415
_reflns_number_total             19767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8004147-file004.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        4457(2)
_cod_database_code               4305125
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au -0.154358(12) -0.047105(13) 0.666867(12) 0.02054(7) Uani 1 1 d . . .
Rh1 Rh 0.09147(2) 0.19150(2) 0.77737(2) 0.01688(9) Uani 1 1 d . . .
N1 N -0.2947(3) -0.0854(3) 0.6115(3) 0.0254(10) Uani 1 1 d . . .
N2 N -0.1550(3) 0.1972(3) 0.7671(3) 0.0263(10) Uani 1 1 d . . .
N3 N 0.1265(3) 0.3252(3) 0.7969(3) 0.0246(9) Uani 1 1 d . . .
N4 N 0.2325(3) 0.2299(3) 0.8080(3) 0.0203(9) Uani 1 1 d . . .
N5 N 0.1031(3) -0.0391(3) 0.7858(3) 0.0224(9) Uani 1 1 d . . .
N6 N -0.1906(3) -0.1818(3) 0.6151(3) 0.0236(9) Uani 1 1 d . . .
N7 N 0.1241(3) 0.2284(3) 0.9042(3) 0.0247(9) Uani 1 1 d . . .
N8 N 0.0619(3) 0.1567(3) 0.6507(3) 0.0267(10) Uani 1 1 d . . .
C1 C -0.3646(4) -0.1689(4) 0.5504(4) 0.0281(12) Uani 1 1 d . . .
C2 C -0.4536(4) -0.1686(4) 0.5273(4) 0.0349(14) Uani 1 1 d . . .
H2 H -0.5129 -0.2173 0.4856 0.042 Uiso 1 1 calc R . .
C3 C -0.4358(4) -0.0872(4) 0.5758(4) 0.0323(13) Uani 1 1 d . . .
H3 H -0.4803 -0.0676 0.5756 0.039 Uiso 1 1 calc R . .
C4 C -0.3366(4) -0.0346(4) 0.6286(4) 0.0257(11) Uani 1 1 d . . .
C5 C -0.2892(4) 0.0547(4) 0.6860(4) 0.0265(11) Uani 1 1 d . . .
C6 C -0.1925(4) 0.1075(4) 0.7237(4) 0.0251(11) Uani 1 1 d . . .
C7 C -0.1219(4) 0.0812(3) 0.7180(3) 0.0221(10) Uani 1 1 d . . .
C8 C -0.0396(3) 0.1590(3) 0.7533(3) 0.0211(10) Uani 1 1 d . . .
C9 C -0.0649(4) 0.2305(4) 0.7809(3) 0.0240(11) Uani 1 1 d . . .
C10 C -0.0116(4) 0.3230(4) 0.8089(4) 0.0267(11) Uani 1 1 d . . .
C11 C 0.0756(4) 0.3659(4) 0.8119(4) 0.0277(12) Uani 1 1 d . . .
C12 C 0.1255(4) 0.4585(4) 0.8281(5) 0.0350(14) Uani 1 1 d . . .
H12 H 0.1061 0.5020 0.8407 0.042 Uiso 1 1 calc R . .
C13 C 0.2053(4) 0.4714(4) 0.8218(5) 0.0337(14) Uani 1 1 d . . .
H13 H 0.2517 0.5253 0.8277 0.040 Uiso 1 1 calc R . .
C14 C 0.2067(4) 0.3878(4) 0.8045(4) 0.0246(11) Uani 1 1 d . . .
C15 C 0.2842(4) 0.3772(4) 0.8061(4) 0.0249(11) Uani 1 1 d . . .
C16 C 0.2982(3) 0.3053(3) 0.8112(3) 0.0215(10) Uani 1 1 d . . .
C17 C 0.3854(4) 0.3041(4) 0.8314(4) 0.0266(11) Uani 1 1 d . . .
H17 H 0.4412 0.3475 0.8359 0.032 Uiso 1 1 calc R . .
C18 C 0.3715(4) 0.2283(4) 0.8428(4) 0.0277(12) Uani 1 1 d . . .
H18 H 0.4162 0.2091 0.8577 0.033 Uiso 1 1 calc R . .
C19 C 0.2765(3) 0.1831(4) 0.8282(3) 0.0218(10) Uani 1 1 d . . .
C20 C 0.2324(4) 0.0999(3) 0.8286(3) 0.0222(10) Uani 1 1 d . . .
C21 C 0.1361(3) 0.0462(3) 0.7968(3) 0.0211(10) Uani 1 1 d . . .
C22 C 0.0620(4) 0.0679(4) 0.7616(3) 0.0211(10) Uani 1 1 d . . .
C23 C -0.0210(3) -0.0125(3) 0.7239(3) 0.0211(10) Uani 1 1 d . . .
C24 C 0.0089(3) -0.0777(3) 0.7379(3) 0.0198(10) Uani 1 1 d . . .
C25 C -0.0437(4) -0.1711(4) 0.6998(3) 0.0230(10) Uani 1 1 d . . .
C26 C -0.1357(4) -0.2184(4) 0.6373(4) 0.0254(11) Uani 1 1 d . . .
C27 C -0.1869(4) -0.3136(4) 0.5849(4) 0.0292(12) Uani 1 1 d . . .
H27 H -0.1652 -0.3551 0.5881 0.035 Uiso 1 1 calc R . .
C28 C -0.2714(4) -0.3324(4) 0.5305(4) 0.0270(11) Uani 1 1 d . . .
H28 H -0.3197 -0.3895 0.4867 0.032 Uiso 1 1 calc R . .
C29 C -0.2753(4) -0.2502(4) 0.5511(3) 0.0248(11) Uani 1 1 d . . .
C30 C -0.3547(4) -0.2431(4) 0.5191(3) 0.0267(11) Uani 1 1 d . . .
C31 C -0.3436(4) 0.1008(4) 0.7036(4) 0.0274(12) Uani 1 1 d . . .
C32 C -0.3952(4) 0.0793(4) 0.7481(4) 0.0348(14) Uani 1 1 d . . .
C33 C -0.4402(5) 0.1254(5) 0.7710(5) 0.0437(17) Uani 1 1 d . . .
C34 C -0.4329(4) 0.1954(5) 0.7500(5) 0.0426(16) Uani 1 1 d . . .
C35 C -0.3830(4) 0.2185(4) 0.7056(4) 0.0346(14) Uani 1 1 d . . .
C36 C -0.3403(4) 0.1705(4) 0.6818(4) 0.0314(13) Uani 1 1 d . . .
C37 C -0.0606(4) 0.3748(4) 0.8273(4) 0.0321(13) Uani 1 1 d . . .
C38 C -0.0732(5) 0.3916(5) 0.8986(5) 0.0432(17) Uani 1 1 d . . .
C39 C -0.1288(5) 0.4309(6) 0.9122(6) 0.059(2) Uani 1 1 d . . .
C40 C -0.1709(5) 0.4520(5) 0.8511(7) 0.064(3) Uani 1 1 d . . .
C41 C -0.1587(5) 0.4370(5) 0.7804(6) 0.057(2) Uani 1 1 d . . .
C42 C -0.1035(5) 0.3989(4) 0.7672(6) 0.0442(18) Uani 1 1 d . . .
C43 C 0.3637(4) 0.4539(4) 0.8107(4) 0.0274(12) Uani 1 1 d . . .
C44 C 0.4353(4) 0.5217(4) 0.8880(4) 0.0310(12) Uani 1 1 d . . .
C45 C 0.5107(4) 0.5915(4) 0.8930(4) 0.0377(15) Uani 1 1 d . . .
C46 C 0.5131(4) 0.5948(5) 0.8196(5) 0.0416(16) Uani 1 1 d . . .
C47 C 0.4425(4) 0.5295(4) 0.7416(4) 0.0358(14) Uani 1 1 d . . .
C48 C 0.3689(4) 0.4596(4) 0.7380(4) 0.0315(12) Uani 1 1 d . . .
C49 C 0.2903(4) 0.0596(4) 0.8594(4) 0.0256(11) Uani 1 1 d . . .
C50 C 0.3199(4) 0.0670(5) 0.9412(4) 0.0359(14) Uani 1 1 d . . .
C51 C 0.3644(6) 0.0220(7) 0.9673(5) 0.055(2) Uani 1 1 d . . .
C52 C 0.3798(5) -0.0324(5) 0.9102(6) 0.0486(18) Uani 1 1 d . . .
C53 C 0.3530(4) -0.0402(4) 0.8290(5) 0.0392(15) Uani 1 1 d . . .
C54 C 0.3085(4) 0.0052(4) 0.8044(4) 0.0317(13) Uani 1 1 d . . .
C55 C 0.0030(4) -0.2239(3) 0.7210(4) 0.0261(11) Uani 1 1 d . . .
C56 C -0.0230(4) -0.2756(4) 0.7621(4) 0.0336(13) Uani 1 1 d . . .
C57 C 0.0189(5) -0.3239(4) 0.7840(4) 0.0404(15) Uani 1 1 d . . .
C58 C 0.0914(5) -0.3205(4) 0.7650(5) 0.0432(17) Uani 1 1 d . . .
C59 C 0.1192(5) -0.2701(4) 0.7230(4) 0.0369(14) Uani 1 1 d . . .
C60 C 0.0756(4) -0.2232(4) 0.7011(4) 0.0289(12) Uani 1 1 d . . .
C61 C -0.4414(4) -0.3272(4) 0.4481(4) 0.0275(12) Uani 1 1 d . . .
C62 C -0.5002(4) -0.3901(4) 0.4651(4) 0.0316(13) Uani 1 1 d . . .
C63 C -0.5812(4) -0.4654(4) 0.4001(5) 0.0371(14) Uani 1 1 d . . .
C64 C -0.6028(4) -0.4780(4) 0.3178(4) 0.0350(14) Uani 1 1 d . . .
C65 C -0.5461(4) -0.4180(4) 0.2983(4) 0.0335(13) Uani 1 1 d . . .
C66 C -0.4652(4) -0.3429(4) 0.3642(4) 0.0302(12) Uani 1 1 d . . .
C67 C 0.0714(4) 0.1790(5) 0.9323(4) 0.0407(16) Uani 1 1 d . . .
H67 H 0.0170 0.1240 0.8917 0.049 Uiso 1 1 calc R . .
C68 C 0.0928(6) 0.2044(6) 1.0169(5) 0.061(3) Uani 1 1 d . . .
H68 H 0.0543 0.1675 1.0348 0.074 Uiso 1 1 calc R . .
C69 C 0.1723(5) 0.2856(6) 1.0769(4) 0.052(2) Uani 1 1 d . . .
H69 H 0.1883 0.3055 1.1361 0.063 Uiso 1 1 calc R . .
C70 C 0.2260(4) 0.3354(4) 1.0486(4) 0.0352(14) Uani 1 1 d . . .
H70 H 0.2811 0.3902 1.0883 0.042 Uiso 1 1 calc R . .
C71 C 0.2012(4) 0.3071(4) 0.9637(4) 0.0274(12) Uani 1 1 d . . .
H71 H 0.2391 0.3436 0.9450 0.033 Uiso 1 1 calc R . .
C72 C 0.0005(4) 0.1725(5) 0.6014(4) 0.0351(14) Uani 1 1 d . . .
H72 H -0.0316 0.1977 0.6248 0.042 Uiso 1 1 calc R . .
C73 C -0.0171(6) 0.1530(6) 0.5166(5) 0.0503(19) Uani 1 1 d . . .
H73 H -0.0617 0.1638 0.4824 0.060 Uiso 1 1 calc R . .
C74 C 0.0296(6) 0.1181(6) 0.4823(4) 0.0490(18) Uani 1 1 d . . .
H74 H 0.0183 0.1047 0.4245 0.059 Uiso 1 1 calc R . .
C75 C 0.0929(5) 0.1028(5) 0.5329(4) 0.0425(16) Uani 1 1 d . . .
H75 H 0.1266 0.0792 0.5108 0.051 Uiso 1 1 calc R . .
C76 C 0.1074(5) 0.1221(5) 0.6167(4) 0.0364(14) Uani 1 1 d . . .
H76 H 0.1509 0.1106 0.6512 0.044 Uiso 1 1 calc R . .
F1 F -0.4017(3) 0.0130(3) 0.7707(3) 0.0516(11) Uani 1 1 d . . .
F2 F -0.4885(4) 0.1034(4) 0.8143(4) 0.0725(16) Uani 1 1 d . . .
F3 F -0.4744(3) 0.2423(3) 0.7736(4) 0.0630(14) Uani 1 1 d . . .
F4 F -0.3778(3) 0.2855(3) 0.6842(3) 0.0459(10) Uani 1 1 d . . .
F5 F -0.2958(3) 0.1929(3) 0.6358(2) 0.0376(8) Uani 1 1 d . . .
F6 F -0.0332(3) 0.3708(3) 0.9595(3) 0.0568(12) Uani 1 1 d . . .
F7 F -0.1390(4) 0.4458(5) 0.9847(4) 0.095(2) Uani 1 1 d . . .
F8 F -0.2244(4) 0.4883(4) 0.8631(5) 0.097(2) Uani 1 1 d . . .
F9 F -0.2015(4) 0.4577(4) 0.7196(4) 0.0844(19) Uani 1 1 d . . .
F10 F -0.0955(3) 0.3825(4) 0.6947(3) 0.0611(13) Uani 1 1 d . . .
F11 F 0.4330(3) 0.5214(3) 0.9609(2) 0.0435(9) Uani 1 1 d . . .
F12 F 0.5789(3) 0.6560(3) 0.9686(3) 0.0551(12) Uani 1 1 d . . .
F13 F 0.5855(3) 0.6623(3) 0.8235(3) 0.0570(12) Uani 1 1 d . . .
F14 F 0.4441(3) 0.5331(3) 0.6688(3) 0.0495(10) Uani 1 1 d . . .
F15 F 0.3019(3) 0.3956(3) 0.6612(2) 0.0448(10) Uani 1 1 d . . .
F16 F 0.3038(3) 0.1187(3) 0.9976(2) 0.0540(12) Uani 1 1 d . . .
F17 F 0.3899(5) 0.0285(5) 1.0468(4) 0.095(2) Uani 1 1 d . . .
F18 F 0.4214(4) -0.0781(4) 0.9340(4) 0.0766(17) Uani 1 1 d . . .
F19 F 0.3691(3) -0.0922(3) 0.7730(3) 0.0579(12) Uani 1 1 d . . .
F20 F 0.2803(3) -0.0052(3) 0.7232(3) 0.0503(11) Uani 1 1 d . . .
F21 F -0.0918(3) -0.2786(3) 0.7845(3) 0.0458(10) Uani 1 1 d . . .
F22 F -0.0088(3) -0.3732(3) 0.8246(3) 0.0602(12) Uani 1 1 d . . .
F23 F 0.1328(4) -0.3675(3) 0.7853(3) 0.0616(13) Uani 1 1 d . . .
F24 F 0.1896(3) -0.2667(3) 0.7042(3) 0.0528(11) Uani 1 1 d . . .
F25 F 0.1034(2) -0.1776(2) 0.6579(2) 0.0357(8) Uani 1 1 d . . .
F26 F -0.4811(3) -0.3779(3) 0.5460(2) 0.0472(10) Uani 1 1 d . . .
F27 F -0.6370(3) -0.5247(3) 0.4180(3) 0.0555(12) Uani 1 1 d . . .
F28 F -0.6796(3) -0.5519(2) 0.2547(3) 0.0481(10) Uani 1 1 d . . .
F29 F -0.5668(3) -0.4314(3) 0.2168(2) 0.0465(10) Uani 1 1 d . . .
F30 F -0.4101(3) -0.2851(3) 0.3438(2) 0.0413(9) Uani 1 1 d . . .
C1S C -0.2495(9) -0.1533(8) 0.8226(7) 0.083(3) Uani 1 1 d . . .
H1S H -0.2585 -0.1681 0.8699 0.100 Uiso 1 1 calc R . .
C2S C 0.6105(17) 0.2655(14) 0.1909(19) 0.089(9) Uani 0.431(5) 1 d P A 1
H2S H 0.6407 0.2272 0.1935 0.107 Uiso 0.431(5) 1 calc PR A 1
C3S C 0.7771(16) 0.1135(16) -0.0251(15) 0.059(5) Uani 0.431(5) 1 d P A 1
H3S H 0.7237 0.0546 -0.0709 0.071 Uiso 0.431(5) 1 calc PR A 1
Cl1 Cl -0.2900(2) -0.2538(2) 0.7357(2) 0.0863(8) Uani 1 1 d . . .
Cl2 Cl -0.1285(3) -0.0845(3) 0.8593(3) 0.1209(13) Uani 1 1 d . . .
Cl3 Cl -0.3099(4) -0.0993(4) 0.7987(3) 0.153(2) Uani 1 1 d . . .
Cl4 Cl 0.6947(4) 0.3733(4) 0.2712(5) 0.0736(19) Uani 0.431(5) 1 d P A 1
Cl5 Cl 0.5860(8) 0.2659(6) 0.0940(9) 0.133(4) Uani 0.431(5) 1 d P A 1
Cl6 Cl 0.5201(5) 0.2216(5) 0.2111(9) 0.151(5) Uani 0.431(5) 1 d P A 1
Cl7 Cl 0.8458(4) 0.0953(3) 0.0538(3) 0.0621(15) Uani 0.431(5) 1 d P A 1
Cl8 Cl 0.8449(5) 0.1676(5) -0.0701(4) 0.081(2) Uani 0.431(5) 1 d P A 1
Cl9 Cl 0.7335(5) 0.1819(5) 0.0189(4) 0.0768(18) Uani 0.431(5) 1 d P A 1
C1H C -0.2926(16) 0.373(2) 1.4821(13) 0.240(16) Uani 1 1 d . . .
H1HA H -0.3475 0.3512 1.4292 0.361 Uiso 1 1 calc R . .
H1HB H -0.2419 0.4279 1.4907 0.361 Uiso 1 1 calc R . .
H1HC H -0.3079 0.3842 1.5305 0.361 Uiso 1 1 calc R . .
C2H C -0.2588(8) 0.2938(10) 1.4750(8) 0.095(4) Uani 1 1 d . . .
H2HA H -0.2338 0.2928 1.4324 0.114 Uiso 1 1 calc R . .
H2HB H -0.2050 0.3181 1.5307 0.114 Uiso 1 1 calc R . .
C3H C -0.3177(6) 0.1981(9) 1.4541(6) 0.077(3) Uani 1 1 d . . .
H3HA H -0.3669 0.1684 1.3946 0.093 Uiso 1 1 calc R . .
H3HB H -0.3490 0.1957 1.4920 0.093 Uiso 1 1 calc R . .
C4H C -0.2669(7) 0.1451(10) 1.4627(6) 0.082(4) Uani 1 1 d . . .
H4HA H -0.2178 0.1744 1.5222 0.099 Uiso 1 1 calc R . .
H4HB H -0.2359 0.1469 1.4247 0.099 Uiso 1 1 calc R . .
C5H C -0.3296(8) 0.0467(9) 1.4408(6) 0.086(4) Uani 1 1 d . . .
H5HA H -0.3792 0.0189 1.3818 0.103 Uiso 1 1 calc R . .
H5HB H -0.3602 0.0461 1.4792 0.103 Uiso 1 1 calc R . .
C6H C -0.2841(11) -0.0155(15) 1.4464(9) 0.154(9) Uani 1 1 d . . .
H6HA H -0.2291 0.0062 1.4360 0.231 Uiso 1 1 calc R . .
H6HB H -0.3293 -0.0770 1.4033 0.231 Uiso 1 1 calc R . .
H6HC H -0.2658 -0.0144 1.5034 0.231 Uiso 1 1 calc R . .
C7H C -0.0734(19) 0.6079(17) 0.4150(18) 0.264(13) Uani 1 1 d DU . .
H7HA H -0.0313 0.6692 0.4266 0.397 Uiso 1 1 calc R . .
H7HB H -0.1331 0.6029 0.4116 0.397 Uiso 1 1 calc R . .
H7HC H -0.0835 0.5660 0.3606 0.397 Uiso 1 1 calc R . .
C8H C -0.0316(17) 0.5864(18) 0.4846(18) 0.270(13) Uani 1 1 d DU . .
H8HA H 0.0300 0.6387 0.5263 0.324 Uiso 1 1 calc R . .
H8HB H -0.0714 0.5765 0.5145 0.324 Uiso 1 1 calc R . .
C9H C -0.0203(15) 0.5123(19) 0.4582(17) 0.255(13) Uani 1 1 d U . .
H9HA H 0.0242 0.5237 0.4330 0.307 Uiso 1 1 calc R . .
H9HB H -0.0807 0.4604 0.4135 0.307 Uiso 1 1 calc R . .
C10H C 0.5975(17) 0.2777(18) 0.026(2) 0.144(10) Uani 0.569(5) 1 d PU A 2
H10A H 0.5921 0.3285 0.0186 0.216 Uiso 0.569(5) 1 calc PR A 2
H10B H 0.5979 0.2793 0.0803 0.216 Uiso 0.569(5) 1 calc PR A 2
H10C H 0.5446 0.2217 -0.0212 0.216 Uiso 0.569(5) 1 calc PR A 2
C11H C 0.6801(16) 0.2829(16) 0.025(2) 0.141(8) Uani 0.569(5) 1 d PU A 2
H11A H 0.7060 0.3352 0.0130 0.169 Uiso 0.569(5) 1 calc PR A 2
H11B H 0.7209 0.3027 0.0860 0.169 Uiso 0.569(5) 1 calc PR A 2
C12H C 0.7030(15) 0.2241(16) -0.0184(19) 0.131(7) Uani 0.569(5) 1 d PU A 2
H12A H 0.6576 0.1649 -0.0268 0.158 Uiso 0.569(5) 1 calc PR A 2
H12B H 0.6841 0.2235 -0.0758 0.158 Uiso 0.569(5) 1 calc PR A 2
C13H C 0.7843(16) 0.2197(17) -0.002(2) 0.138(7) Uani 0.569(5) 1 d PU A 2
H13A H 0.8059 0.2235 0.0564 0.166 Uiso 0.569(5) 1 calc PR A 2
H13B H 0.8292 0.2768 0.0020 0.166 Uiso 0.569(5) 1 calc PR A 2
C14H C 0.8009(18) 0.1540(19) -0.049(2) 0.142(8) Uani 0.569(5) 1 d PDU A 2
H14A H 0.8251 0.1759 -0.0863 0.170 Uiso 0.569(5) 1 calc PR A 2
H14B H 0.7397 0.0996 -0.0868 0.170 Uiso 0.569(5) 1 calc PR A 2
C15H C 0.8665(19) 0.124(2) -0.003(2) 0.190(12) Uani 0.569(5) 1 d PDU A 2
H15A H 0.8682 0.0777 -0.0453 0.285 Uiso 0.569(5) 1 calc PR A 2
H15B H 0.8436 0.1000 0.0337 0.285 Uiso 0.569(5) 1 calc PR A 2
H15C H 0.9292 0.1755 0.0325 0.285 Uiso 0.569(5) 1 calc PR 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'
Au Au -2.0133 8.8022 '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'
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
_geom_angle_publ_flag
C23 Au1 C7 90.0(2) . . ?
C23 Au1 N1 177.3(2) . . ?
C7 Au1 N1 90.7(2) . . ?
C23 Au1 N6 90.8(2) . . ?
C7 Au1 N6 178.46(19) . . ?
N1 Au1 N6 88.48(18) . . ?
C22 Rh1 C8 89.3(2) . . ?
C22 Rh1 N7 89.78(19) . . ?
C8 Rh1 N7 89.2(2) . . ?
C22 Rh1 N8 90.9(2) . . ?
C8 Rh1 N8 92.1(2) . . ?
N7 Rh1 N8 178.59(19) . . ?
C22 Rh1 N4 91.79(19) . . ?
C8 Rh1 N4 177.66(19) . . ?
N7 Rh1 N4 88.80(17) . . ?
N8 Rh1 N4 89.96(18) . . ?
C22 Rh1 N3 178.46(19) . . ?
C8 Rh1 N3 91.9(2) . . ?
N7 Rh1 N3 89.30(19) . . ?
N8 Rh1 N3 89.97(19) . . ?
N4 Rh1 N3 86.95(17) . . ?
C1 N1 C4 106.6(4) . . ?
C1 N1 Au1 125.5(4) . . ?
C4 N1 Au1 127.9(3) . . ?
C9 N2 C6 104.1(4) . . ?
C14 N3 C11 107.6(5) . . ?
C14 N3 Rh1 126.5(4) . . ?
C11 N3 Rh1 125.6(4) . . ?
C19 N4 C16 106.1(4) . . ?
C19 N4 Rh1 126.1(4) . . ?
C16 N4 Rh1 127.8(4) . . ?
C21 N5 C24 104.2(4) . . ?
C26 N6 C29 107.3(4) . . ?
C26 N6 Au1 127.1(4) . . ?
C29 N6 Au1 125.6(4) . . ?
C67 N7 C71 117.5(5) . . ?
C67 N7 Rh1 122.7(4) . . ?
C71 N7 Rh1 119.8(4) . . ?
C72 N8 C76 118.5(5) . . ?
C72 N8 Rh1 120.6(4) . . ?
C76 N8 Rh1 120.8(4) . . ?
N1 C1 C30 126.1(5) . . ?
N1 C1 C2 108.8(5) . . ?
C30 C1 C2 124.9(5) . . ?
C3 C2 C1 107.4(5) . . ?
C3 C2 H2 126.3 . . ?
C1 C2 H2 126.3 . . ?
C2 C3 C4 107.3(5) . . ?
C2 C3 H3 126.4 . . ?
C4 C3 H3 126.4 . . ?
N1 C4 C5 124.4(5) . . ?
N1 C4 C3 109.9(5) . . ?
C5 C4 C3 125.6(5) . . ?
C4 C5 C6 123.5(5) . . ?
C4 C5 C31 119.1(5) . . ?
C6 C5 C31 117.1(5) . . ?
N2 C6 C5 118.2(5) . . ?
N2 C6 C7 112.4(5) . . ?
C5 C6 C7 129.2(5) . . ?
C8 C7 C6 106.4(4) . . ?
C8 C7 Au1 132.1(4) . . ?
C6 C7 Au1 121.5(4) . . ?
C7 C8 C9 103.6(4) . . ?
C7 C8 Rh1 136.0(4) . . ?
C9 C8 Rh1 120.3(4) . . ?
N2 C9 C10 118.1(5) . . ?
N2 C9 C8 113.0(5) . . ?
C10 C9 C8 128.4(5) . . ?
C11 C10 C9 125.4(5) . . ?
C11 C10 C37 119.9(5) . . ?
C9 C10 C37 114.3(5) . . ?
N3 C11 C10 124.6(5) . . ?
N3 C11 C12 109.1(5) . . ?
C10 C11 C12 126.3(5) . . ?
C13 C12 C11 106.9(5) . . ?
C13 C12 H12 126.6 . . ?
C11 C12 H12 126.6 . . ?
C12 C13 C14 107.2(5) . . ?
C12 C13 H13 126.4 . . ?
C14 C13 H13 126.4 . . ?
N3 C14 C15 125.8(5) . . ?
N3 C14 C13 109.2(5) . . ?
C15 C14 C13 124.5(5) . . ?
C16 C15 C14 126.7(5) . . ?
C16 C15 C43 116.4(5) . . ?
C14 C15 C43 116.7(5) . . ?
N4 C16 C15 123.8(5) . . ?
N4 C16 C17 109.9(5) . . ?
C15 C16 C17 125.8(5) . . ?
C18 C17 C16 106.4(5) . . ?
C18 C17 H17 126.8 . . ?
C16 C17 H17 126.8 . . ?
C17 C18 C19 106.9(5) . . ?
C17 C18 H18 126.5 . . ?
C19 C18 H18 126.5 . . ?
N4 C19 C20 124.0(5) . . ?
N4 C19 C18 110.6(5) . . ?
C20 C19 C18 125.3(5) . . ?
C19 C20 C21 125.7(5) . . ?
C19 C20 C49 118.6(5) . . ?
C21 C20 C49 115.5(5) . . ?
N5 C21 C20 118.5(5) . . ?
N5 C21 C22 113.3(4) . . ?
C20 C21 C22 127.6(5) . . ?
C23 C22 C21 105.1(5) . . ?
C23 C22 Rh1 133.4(4) . . ?
C21 C22 Rh1 121.4(4) . . ?
C22 C23 C24 104.1(4) . . ?
C22 C23 Au1 134.1(4) . . ?
C24 C23 Au1 121.8(3) . . ?
N5 C24 C25 118.2(5) . . ?
N5 C24 C23 113.0(4) . . ?
C25 C24 C23 128.2(4) . . ?
C26 C25 C24 123.4(5) . . ?
C26 C25 C55 117.7(5) . . ?
C24 C25 C55 118.7(5) . . ?
N6 C26 C25 125.3(5) . . ?
N6 C26 C27 109.4(5) . . ?
C25 C26 C27 125.3(5) . . ?
C28 C27 C26 107.0(5) . . ?
C28 C27 H27 126.5 . . ?
C26 C27 H27 126.5 . . ?
C27 C28 C29 107.4(5) . . ?
C27 C28 H28 126.3 . . ?
C29 C28 H28 126.3 . . ?
N6 C29 C30 125.4(5) . . ?
N6 C29 C28 108.9(5) . . ?
C30 C29 C28 125.3(5) . . ?
C1 C30 C29 126.2(5) . . ?
C1 C30 C61 116.6(5) . . ?
C29 C30 C61 117.0(5) . . ?
C36 C31 C32 116.6(5) . . ?
C36 C31 C5 122.3(5) . . ?
C32 C31 C5 121.0(6) . . ?
F1 C32 C33 118.0(6) . . ?
F1 C32 C31 119.8(5) . . ?
C33 C32 C31 122.2(6) . . ?
F2 C33 C34 120.3(6) . . ?
F2 C33 C32 120.6(7) . . ?
C34 C33 C32 119.1(6) . . ?
F3 C34 C33 119.9(6) . . ?
F3 C34 C35 119.6(7) . . ?
C33 C34 C35 120.5(6) . . ?
F4 C35 C34 120.0(6) . . ?
F4 C35 C36 120.5(6) . . ?
C34 C35 C36 119.5(6) . . ?
F5 C36 C35 117.5(6) . . ?
F5 C36 C31 120.5(5) . . ?
C35 C36 C31 122.1(6) . . ?
C38 C37 C42 117.2(6) . . ?
C38 C37 C10 121.4(6) . . ?
C42 C37 C10 121.1(6) . . ?
F6 C38 C37 120.4(6) . . ?
F6 C38 C39 117.5(7) . . ?
C37 C38 C39 122.1(8) . . ?
F7 C39 C40 122.0(8) . . ?
F7 C39 C38 119.3(9) . . ?
C40 C39 C38 118.7(8) . . ?
C41 C40 F8 120.5(10) . . ?
C41 C40 C39 120.4(7) . . ?
F8 C40 C39 119.1(10) . . ?
C40 C41 F9 119.8(7) . . ?
C40 C41 C42 120.9(8) . . ?
F9 C41 C42 119.2(9) . . ?
F10 C42 C37 120.2(6) . . ?
F10 C42 C41 119.1(8) . . ?
C37 C42 C41 120.6(8) . . ?
C48 C43 C44 117.1(5) . . ?
C48 C43 C15 121.5(5) . . ?
C44 C43 C15 121.5(5) . . ?
F11 C44 C43 120.0(5) . . ?
F11 C44 C45 118.1(6) . . ?
C43 C44 C45 121.9(6) . . ?
F12 C45 C46 120.2(6) . . ?
F12 C45 C44 120.6(6) . . ?
C46 C45 C44 119.2(6) . . ?
F13 C46 C45 119.8(7) . . ?
F13 C46 C47 119.7(7) . . ?
C45 C46 C47 120.5(6) . . ?
F14 C47 C46 120.7(6) . . ?
F14 C47 C48 120.0(6) . . ?
C46 C47 C48 119.4(6) . . ?
F15 C48 C43 119.8(5) . . ?
F15 C48 C47 118.3(6) . . ?
C43 C48 C47 121.9(6) . . ?
C50 C49 C54 116.4(5) . . ?
C50 C49 C20 121.8(5) . . ?
C54 C49 C20 121.5(5) . . ?
F16 C50 C49 119.1(5) . . ?
F16 C50 C51 118.8(6) . . ?
C49 C50 C51 122.1(6) . . ?
F17 C51 C52 119.8(7) . . ?
F17 C51 C50 120.6(7) . . ?
C52 C51 C50 119.6(7) . . ?
F18 C52 C53 119.4(7) . . ?
F18 C52 C51 120.4(7) . . ?
C53 C52 C51 120.1(6) . . ?
F19 C53 C52 120.5(6) . . ?
F19 C53 C54 120.3(7) . . ?
C52 C53 C54 119.2(6) . . ?
F20 C54 C53 118.3(6) . . ?
F20 C54 C49 119.0(5) . . ?
C53 C54 C49 122.6(6) . . ?
C56 C55 C60 115.9(5) . . ?
C56 C55 C25 121.3(5) . . ?
C60 C55 C25 122.8(5) . . ?
F21 C56 C55 119.4(5) . . ?
F21 C56 C57 117.4(6) . . ?
C55 C56 C57 123.3(6) . . ?
F22 C57 C56 121.1(7) . . ?
F22 C57 C58 119.5(6) . . ?
C56 C57 C58 119.5(6) . . ?
F23 C58 C59 120.4(7) . . ?
F23 C58 C57 120.4(7) . . ?
C59 C58 C57 119.2(6) . . ?
F24 C59 C60 120.5(6) . . ?
F24 C59 C58 119.4(6) . . ?
C60 C59 C58 120.1(6) . . ?
F25 C60 C59 117.7(6) . . ?
F25 C60 C55 120.2(5) . . ?
C59 C60 C55 122.1(6) . . ?
C66 C61 C62 117.4(5) . . ?
C66 C61 C30 120.8(5) . . ?
C62 C61 C30 121.8(5) . . ?
F26 C62 C61 120.1(5) . . ?
F26 C62 C63 118.3(6) . . ?
C61 C62 C63 121.6(6) . . ?
F27 C63 C64 120.3(6) . . ?
F27 C63 C62 120.5(6) . . ?
C64 C63 C62 119.2(6) . . ?
F28 C64 C63 119.4(6) . . ?
F28 C64 C65 119.6(6) . . ?
C63 C64 C65 121.0(5) . . ?
F29 C65 C64 120.9(5) . . ?
F29 C65 C66 120.0(6) . . ?
C64 C65 C66 119.1(6) . . ?
F30 C66 C61 120.1(5) . . ?
F30 C66 C65 118.2(6) . . ?
C61 C66 C65 121.7(6) . . ?
N7 C67 C68 122.5(6) . . ?
N7 C67 H67 118.8 . . ?
C68 C67 H67 118.8 . . ?
C67 C68 C69 119.0(7) . . ?
C67 C68 H68 120.5 . . ?
C69 C68 H68 120.5 . . ?
C70 C69 C68 118.5(6) . . ?
C70 C69 H69 120.7 . . ?
C68 C69 H69 120.7 . . ?
C69 C70 C71 120.0(6) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 N7 122.5(6) . . ?
C70 C71 H71 118.8 . . ?
N7 C71 H71 118.8 . . ?
N8 C72 C73 121.3(6) . . ?
N8 C72 H72 119.4 . . ?
C73 C72 H72 119.4 . . ?
C74 C73 C72 120.1(7) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C75 C74 C73 118.6(6) . . ?
C75 C74 H74 120.7 . . ?
C73 C74 H74 120.7 . . ?
C74 C75 C76 119.5(6) . . ?
C74 C75 H75 120.2 . . ?
C76 C75 H75 120.2 . . ?
N8 C76 C75 122.1(6) . . ?
N8 C76 H76 118.9 . . ?
C75 C76 H76 118.9 . . ?
Cl3 C1S Cl1 112.0(7) . . ?
Cl3 C1S Cl2 111.6(7) . . ?
Cl1 C1S Cl2 109.8(6) . . ?
Cl3 C1S H1S 107.8 . . ?
Cl1 C1S H1S 107.8 . . ?
Cl2 C1S H1S 107.8 . . ?
Cl6 C2S Cl5 116.4(15) . . ?
Cl6 C2S Cl4 111.6(18) . . ?
Cl5 C2S Cl4 110.0(16) . . ?
Cl6 C2S H2S 106.0 . . ?
Cl5 C2S H2S 106.0 . . ?
Cl4 C2S H2S 106.0 . . ?
Cl7 C3S Cl8 109.4(12) . . ?
Cl7 C3S Cl9 111.1(12) . . ?
Cl8 C3S Cl9 108.7(13) . . ?
Cl7 C3S H3S 109.2 . . ?
Cl8 C3S H3S 109.2 . . ?
Cl9 C3S H3S 109.2 . . ?
C2H C1H H1HA 109.5 . . ?
C2H C1H H1HB 109.5 . . ?
H1HA C1H H1HB 109.5 . . ?
C2H C1H H1HC 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
C3H C2H C1H 126.7(13) . . ?
C3H C2H H2HA 105.6 . . ?
C1H C2H H2HA 105.6 . . ?
C3H C2H H2HB 105.6 . . ?
C1H C2H H2HB 105.6 . . ?
H2HA C2H H2HB 106.1 . . ?
C2H C3H C4H 115.6(9) . . ?
C2H C3H H3HA 108.4 . . ?
C4H C3H H3HA 108.4 . . ?
C2H C3H H3HB 108.4 . . ?
C4H C3H H3HB 108.4 . . ?
H3HA C3H H3HB 107.4 . . ?
C3H C4H C5H 114.3(9) . . ?
C3H C4H H4HA 108.7 . . ?
C5H C4H H4HA 108.7 . . ?
C3H C4H H4HB 108.7 . . ?
C5H C4H H4HB 108.7 . . ?
H4HA C4H H4HB 107.6 . . ?
C4H C5H C6H 118.8(11) . . ?
C4H C5H H5HA 107.6 . . ?
C6H C5H H5HA 107.6 . . ?
C4H C5H H5HB 107.6 . . ?
C6H C5H H5HB 107.6 . . ?
H5HA C5H H5HB 107.1 . . ?
C5H C6H H6HA 109.5 . . ?
C5H C6H H6HB 109.5 . . ?
H6HA C6H H6HB 109.5 . . ?
C5H C6H H6HC 109.5 . . ?
H6HA C6H H6HC 109.5 . . ?
H6HB C6H H6HC 109.5 . . ?
C8H C7H H7HA 109.5 . . ?
C8H C7H H7HB 109.5 . . ?
H7HA C7H H7HB 109.5 . . ?
C8H C7H H7HC 109.5 . . ?
H7HA C7H H7HC 109.5 . . ?
H7HB C7H H7HC 109.5 . . ?
C9H C8H C7H 115(3) . . ?
C9H C8H H8HA 108.6 . . ?
C7H C8H H8HA 108.6 . . ?
C9H C8H H8HB 108.6 . . ?
C7H C8H H8HB 108.6 . . ?
H8HA C8H H8HB 107.6 . . ?
C8H C9H C9H 111(3) . 2_566 ?
C8H C9H H9HA 109.4 . . ?
C9H C9H H9HA 109.4 2_566 . ?
C8H C9H H9HB 109.4 . . ?
C9H C9H H9HB 109.4 2_566 . ?
H9HA C9H H9HB 108.0 . . ?
C11H C10H H10A 109.5 . . ?
C11H C10H H10B 109.5 . . ?
H10A C10H H10B 109.5 . . ?
C11H C10H H10C 109.5 . . ?
H10A C10H H10C 109.5 . . ?
H10B C10H H10C 109.5 . . ?
C12H C11H C10H 135(2) . . ?
C12H C11H H11A 103.5 . . ?
C10H C11H H11A 103.5 . . ?
C12H C11H H11B 103.5 . . ?
C10H C11H H11B 103.5 . . ?
H11A C11H H11B 105.3 . . ?
C13H C12H C11H 133(2) . . ?
C13H C12H H12A 103.9 . . ?
C11H C12H H12A 103.9 . . ?
C13H C12H H12B 103.9 . . ?
C11H C12H H12B 103.9 . . ?
H12A C12H H12B 105.4 . . ?
C12H C13H C14H 130(2) . . ?
C12H C13H H13A 104.8 . . ?
C14H C13H H13A 104.8 . . ?
C12H C13H H13B 104.8 . . ?
C14H C13H H13B 104.8 . . ?
H13A C13H H13B 105.8 . . ?
C13H C14H C15H 121(3) . . ?
C13H C14H H14A 107.0 . . ?
C15H C14H H14A 107.0 . . ?
C13H C14H H14B 107.0 . . ?
C15H C14H H14B 107.0 . . ?
H14A C14H H14B 106.7 . . ?
C14H C15H H15A 109.5 . . ?
C14H C15H H15B 109.5 . . ?
H15A C15H H15B 109.5 . . ?
C14H C15H H15C 109.5 . . ?
H15A C15H H15C 109.5 . . ?
H15B C15H H15C 109.5 . . ?
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
Au1 C23 1.984(5) . ?
Au1 C7 1.996(5) . ?
Au1 N1 2.073(5) . ?
Au1 N6 2.083(4) . ?
Rh1 C22 1.981(5) . ?
Rh1 C8 1.986(5) . ?
Rh1 N7 2.044(5) . ?
Rh1 N8 2.054(5) . ?
Rh1 N4 2.110(4) . ?
Rh1 N3 2.122(5) . ?
N1 C1 1.372(7) . ?
N1 C4 1.375(7) . ?
N2 C9 1.355(7) . ?
N2 C6 1.356(7) . ?
N3 C14 1.356(7) . ?
N3 C11 1.367(7) . ?
N4 C19 1.366(7) . ?
N4 C16 1.374(7) . ?
N5 C21 1.343(7) . ?
N5 C24 1.371(7) . ?
N6 C26 1.360(7) . ?
N6 C29 1.371(7) . ?
N7 C67 1.337(8) . ?
N7 C71 1.360(7) . ?
N8 C72 1.339(7) . ?
N8 C76 1.343(8) . ?
C1 C30 1.382(8) . ?
C1 C2 1.467(8) . ?
C2 C3 1.335(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.443(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(8) . ?
C5 C6 1.398(8) . ?
C5 C31 1.500(8) . ?
C6 C7 1.473(7) . ?
C7 C8 1.369(7) . ?
C8 C9 1.498(7) . ?
C9 C10 1.403(8) . ?
C10 C11 1.387(8) . ?
C10 C37 1.497(7) . ?
C11 C12 1.445(8) . ?
C12 C13 1.351(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.444(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.409(7) . ?
C15 C16 1.405(8) . ?
C15 C43 1.499(7) . ?
C16 C17 1.446(7) . ?
C17 C18 1.364(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.432(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(7) . ?
C20 C21 1.402(7) . ?
C20 C49 1.493(7) . ?
C21 C22 1.482(7) . ?
C22 C23 1.394(7) . ?
C23 C24 1.482(7) . ?
C24 C25 1.399(7) . ?
C25 C26 1.393(8) . ?
C25 C55 1.498(7) . ?
C26 C27 1.440(7) . ?
C27 C28 1.348(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.438(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(8) . ?
C30 C61 1.515(7) . ?
C31 C36 1.388(9) . ?
C31 C32 1.389(8) . ?
C32 F1 1.329(8) . ?
C32 C33 1.384(9) . ?
C33 F2 1.333(8) . ?
C33 C34 1.372(11) . ?
C34 F3 1.347(7) . ?
C34 C35 1.374(10) . ?
C35 F4 1.331(8) . ?
C35 C36 1.379(8) . ?
C36 F5 1.334(7) . ?
C37 C38 1.346(10) . ?
C37 C42 1.389(10) . ?
C38 F6 1.339(9) . ?
C38 C39 1.417(10) . ?
C39 F7 1.344(11) . ?
C39 C40 1.357(15) . ?
C40 C41 1.332(14) . ?
C40 F8 1.338(8) . ?
C41 F9 1.355(10) . ?
C41 C42 1.391(9) . ?
C42 F10 1.326(10) . ?
C43 C48 1.375(9) . ?
C43 C44 1.379(8) . ?
C44 F11 1.336(7) . ?
C44 C45 1.386(9) . ?
C45 F12 1.332(7) . ?
C45 C46 1.360(10) . ?
C46 F13 1.343(7) . ?
C46 C47 1.370(10) . ?
C47 F14 1.347(8) . ?
C47 C48 1.380(9) . ?
C48 F15 1.337(7) . ?
C49 C50 1.368(8) . ?
C49 C54 1.382(8) . ?
C50 F16 1.345(8) . ?
C50 C51 1.376(10) . ?
C51 F17 1.335(9) . ?
C51 C52 1.372(12) . ?
C52 F18 1.342(7) . ?
C52 C53 1.355(11) . ?
C53 F19 1.344(8) . ?
C53 C54 1.375(9) . ?
C54 F20 1.341(7) . ?
C55 C56 1.368(9) . ?
C55 C60 1.396(8) . ?
C56 F21 1.350(8) . ?
C56 C57 1.375(9) . ?
C57 F22 1.338(8) . ?
C57 C58 1.375(11) . ?
C58 F23 1.339(7) . ?
C58 C59 1.375(10) . ?
C59 F24 1.338(8) . ?
C59 C60 1.370(8) . ?
C60 F25 1.336(7) . ?
C61 C66 1.369(8) . ?
C61 C62 1.384(8) . ?
C62 F26 1.340(7) . ?
C62 C63 1.386(8) . ?
C63 F27 1.332(7) . ?
C63 C64 1.357(10) . ?
C64 F28 1.339(6) . ?
C64 C65 1.365(10) . ?
C65 F29 1.343(7) . ?
C65 C66 1.389(8) . ?
C66 F30 1.339(7) . ?
C67 C68 1.363(9) . ?
C67 H67 0.9500 . ?
C68 C69 1.398(10) . ?
C68 H68 0.9500 . ?
C69 C70 1.351(10) . ?
C69 H69 0.9500 . ?
C70 C71 1.356(8) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C72 C73 1.389(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.369(10) . ?
C73 H73 0.9500 . ?
C74 C75 1.364(10) . ?
C74 H74 0.9500 . ?
C75 C76 1.383(9) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C1S Cl3 1.699(12) . ?
C1S Cl1 1.750(12) . ?
C1S Cl2 1.773(13) . ?
C1S H1S 1.0000 . ?
C2S Cl6 1.66(3) . ?
C2S Cl5 1.68(3) . ?
C2S Cl4 1.76(2) . ?
C2S H2S 1.0000 . ?
C3S Cl7 1.76(2) . ?
C3S Cl8 1.767(19) . ?
C3S Cl9 1.78(2) . ?
C3S H3S 1.0000 . ?
C1H C2H 1.69(2) . ?
C1H H1HA 0.9800 . ?
C1H H1HB 0.9800 . ?
C1H H1HC 0.9800 . ?
C2H C3H 1.491(18) . ?
C2H H2HA 0.9900 . ?
C2H H2HB 0.9900 . ?
C3H C4H 1.511(15) . ?
C3H H3HA 0.9900 . ?
C3H H3HB 0.9900 . ?
C4H C5H 1.537(18) . ?
C4H H4HA 0.9900 . ?
C4H H4HB 0.9900 . ?
C5H C6H 1.581(18) . ?
C5H H5HA 0.9900 . ?
C5H H5HB 0.9900 . ?
C6H H6HA 0.9800 . ?
C6H H6HB 0.9800 . ?
C6H H6HC 0.9800 . ?
C7H C8H 1.479(19) . ?
C7H H7HA 0.9800 . ?
C7H H7HB 0.9800 . ?
C7H H7HC 0.9800 . ?
C8H C9H 1.38(3) . ?
C8H H8HA 0.9900 . ?
C8H H8HB 0.9900 . ?
C9H C9H 1.71(6) 2_566 ?
C9H H9HA 0.9900 . ?
C9H H9HB 0.9900 . ?
C10H C11H 1.39(3) . ?
C10H H10A 0.9800 . ?
C10H H10B 0.9800 . ?
C10H H10C 0.9800 . ?
C11H C12H 1.38(3) . ?
C11H H11A 0.9900 . ?
C11H H11B 0.9900 . ?
C12H C13H 1.38(3) . ?
C12H H12A 0.9900 . ?
C12H H12B 0.9900 . ?
C13H C14H 1.42(4) . ?
C13H H13A 0.9900 . ?
C13H H13B 0.9900 . ?
C14H C15H 1.542(19) . ?
C14H H14A 0.9900 . ?
C14H H14B 0.9900 . ?
C15H H15A 0.9800 . ?
C15H H15B 0.9800 . ?
C15H H15C 0.9800 . ?
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
C23 Au1 N1 C1 -88(4) . . . . ?
C7 Au1 N1 C1 167.9(5) . . . . ?
N6 Au1 N1 C1 -13.3(5) . . . . ?
C23 Au1 N1 C4 91(4) . . . . ?
C7 Au1 N1 C4 -13.1(5) . . . . ?
N6 Au1 N1 C4 165.7(5) . . . . ?
C22 Rh1 N3 C14 48(8) . . . . ?
C8 Rh1 N3 C14 -169.4(5) . . . . ?
N7 Rh1 N3 C14 101.5(5) . . . . ?
N8 Rh1 N3 C14 -77.3(5) . . . . ?
N4 Rh1 N3 C14 12.7(5) . . . . ?
C22 Rh1 N3 C11 -125(7) . . . . ?
C8 Rh1 N3 C11 17.0(5) . . . . ?
N7 Rh1 N3 C11 -72.1(5) . . . . ?
N8 Rh1 N3 C11 109.1(5) . . . . ?
N4 Rh1 N3 C11 -160.9(5) . . . . ?
C22 Rh1 N4 C19 -14.0(4) . . . . ?
C8 Rh1 N4 C19 104(5) . . . . ?
N7 Rh1 N4 C19 75.7(4) . . . . ?
N8 Rh1 N4 C19 -105.0(4) . . . . ?
N3 Rh1 N4 C19 165.1(4) . . . . ?
C22 Rh1 N4 C16 165.4(4) . . . . ?
C8 Rh1 N4 C16 -76(5) . . . . ?
N7 Rh1 N4 C16 -104.8(4) . . . . ?
N8 Rh1 N4 C16 74.5(4) . . . . ?
N3 Rh1 N4 C16 -15.4(4) . . . . ?
C23 Au1 N6 C26 12.9(5) . . . . ?
C7 Au1 N6 C26 -109(8) . . . . ?
N1 Au1 N6 C26 -164.4(5) . . . . ?
C23 Au1 N6 C29 -166.6(5) . . . . ?
C7 Au1 N6 C29 72(8) . . . . ?
N1 Au1 N6 C29 16.0(5) . . . . ?
C22 Rh1 N7 C67 -44.7(5) . . . . ?
C8 Rh1 N7 C67 44.6(5) . . . . ?
N8 Rh1 N7 C67 -165(8) . . . . ?
N4 Rh1 N7 C67 -136.5(5) . . . . ?
N3 Rh1 N7 C67 136.5(5) . . . . ?
C22 Rh1 N7 C71 136.7(4) . . . . ?
C8 Rh1 N7 C71 -134.0(4) . . . . ?
N8 Rh1 N7 C71 17(8) . . . . ?
N4 Rh1 N7 C71 44.9(4) . . . . ?
N3 Rh1 N7 C71 -42.1(4) . . . . ?
C22 Rh1 N8 C72 126.1(5) . . . . ?
C8 Rh1 N8 C72 36.8(5) . . . . ?
N7 Rh1 N8 C72 -114(8) . . . . ?
N4 Rh1 N8 C72 -142.1(5) . . . . ?
N3 Rh1 N8 C72 -55.2(5) . . . . ?
C22 Rh1 N8 C76 -57.6(5) . . . . ?
C8 Rh1 N8 C76 -146.9(5) . . . . ?
N7 Rh1 N8 C76 62(8) . . . . ?
N4 Rh1 N8 C76 34.2(5) . . . . ?
N3 Rh1 N8 C76 121.1(5) . . . . ?
C4 N1 C1 C30 -174.8(6) . . . . ?
Au1 N1 C1 C30 4.4(9) . . . . ?
C4 N1 C1 C2 1.4(7) . . . . ?
Au1 N1 C1 C2 -179.4(4) . . . . ?
N1 C1 C2 C3 -1.6(7) . . . . ?
C30 C1 C2 C3 174.7(6) . . . . ?
C1 C2 C3 C4 1.1(8) . . . . ?
C1 N1 C4 C5 -178.8(6) . . . . ?
Au1 N1 C4 C5 2.1(9) . . . . ?
C1 N1 C4 C3 -0.8(7) . . . . ?
Au1 N1 C4 C3 -179.9(4) . . . . ?
C2 C3 C4 N1 -0.2(8) . . . . ?
C2 C3 C4 C5 177.8(6) . . . . ?
N1 C4 C5 C6 10.3(10) . . . . ?
C3 C4 C5 C6 -167.4(6) . . . . ?
N1 C4 C5 C31 -175.5(5) . . . . ?
C3 C4 C5 C31 6.7(9) . . . . ?
C9 N2 C6 C5 -168.5(5) . . . . ?
C9 N2 C6 C7 6.8(6) . . . . ?
C4 C5 C6 N2 168.7(6) . . . . ?
C31 C5 C6 N2 -5.5(8) . . . . ?
C4 C5 C6 C7 -5.8(10) . . . . ?
C31 C5 C6 C7 -180.0(6) . . . . ?
N2 C6 C7 C8 -5.1(7) . . . . ?
C5 C6 C7 C8 169.6(6) . . . . ?
N2 C6 C7 Au1 174.6(4) . . . . ?
C5 C6 C7 Au1 -10.7(9) . . . . ?
C23 Au1 C7 C8 18.0(6) . . . . ?
N1 Au1 C7 C8 -164.6(5) . . . . ?
N6 Au1 C7 C8 140(7) . . . . ?
C23 Au1 C7 C6 -161.6(5) . . . . ?
N1 Au1 C7 C6 15.8(5) . . . . ?
N6 Au1 C7 C6 -40(8) . . . . ?
C6 C7 C8 C9 1.1(6) . . . . ?
Au1 C7 C8 C9 -178.5(4) . . . . ?
C6 C7 C8 Rh1 177.7(5) . . . . ?
Au1 C7 C8 Rh1 -2.0(9) . . . . ?
C22 Rh1 C8 C7 -15.9(6) . . . . ?
N7 Rh1 C8 C7 -105.7(6) . . . . ?
N8 Rh1 C8 C7 75.0(6) . . . . ?
N4 Rh1 C8 C7 -134(5) . . . . ?
N3 Rh1 C8 C7 165.0(6) . . . . ?
C22 Rh1 C8 C9 160.2(4) . . . . ?
N7 Rh1 C8 C9 70.4(4) . . . . ?
N8 Rh1 C8 C9 -108.9(4) . . . . ?
N4 Rh1 C8 C9 42(5) . . . . ?
N3 Rh1 C8 C9 -18.9(4) . . . . ?
C6 N2 C9 C10 166.9(5) . . . . ?
C6 N2 C9 C8 -6.1(6) . . . . ?
C7 C8 C9 N2 3.1(6) . . . . ?
Rh1 C8 C9 N2 -174.1(4) . . . . ?
C7 C8 C9 C10 -169.0(6) . . . . ?
Rh1 C8 C9 C10 13.8(8) . . . . ?
N2 C9 C10 C11 -168.3(6) . . . . ?
C8 C9 C10 C11 3.5(10) . . . . ?
N2 C9 C10 C37 5.2(8) . . . . ?
C8 C9 C10 C37 176.9(6) . . . . ?
C14 N3 C11 C10 179.2(6) . . . . ?
Rh1 N3 C11 C10 -6.2(9) . . . . ?
C14 N3 C11 C12 1.2(7) . . . . ?
Rh1 N3 C11 C12 175.8(4) . . . . ?
C9 C10 C11 N3 -7.5(10) . . . . ?
C37 C10 C11 N3 179.4(6) . . . . ?
C9 C10 C11 C12 170.1(6) . . . . ?
C37 C10 C11 C12 -3.0(10) . . . . ?
N3 C11 C12 C13 0.4(8) . . . . ?
C10 C11 C12 C13 -177.5(6) . . . . ?
C11 C12 C13 C14 -1.8(8) . . . . ?
C11 N3 C14 C15 170.3(6) . . . . ?
Rh1 N3 C14 C15 -4.2(8) . . . . ?
C11 N3 C14 C13 -2.3(7) . . . . ?
Rh1 N3 C14 C13 -176.9(4) . . . . ?
C12 C13 C14 N3 2.6(8) . . . . ?
C12 C13 C14 C15 -170.2(6) . . . . ?
N3 C14 C15 C16 -8.7(10) . . . . ?
C13 C14 C15 C16 162.9(6) . . . . ?
N3 C14 C15 C43 177.1(5) . . . . ?
C13 C14 C15 C43 -11.3(9) . . . . ?
C19 N4 C16 C15 -170.7(5) . . . . ?
Rh1 N4 C16 C15 9.7(8) . . . . ?
C19 N4 C16 C17 1.9(6) . . . . ?
Rh1 N4 C16 C17 -177.7(4) . . . . ?
C14 C15 C16 N4 5.8(9) . . . . ?
C43 C15 C16 N4 -180.0(5) . . . . ?
C14 C15 C16 C17 -165.6(6) . . . . ?
C43 C15 C16 C17 8.7(8) . . . . ?
N4 C16 C17 C18 -1.8(6) . . . . ?
C15 C16 C17 C18 170.6(5) . . . . ?
C16 C17 C18 C19 1.0(6) . . . . ?
C16 N4 C19 C20 -177.3(5) . . . . ?
Rh1 N4 C19 C20 2.3(7) . . . . ?
C16 N4 C19 C18 -1.2(6) . . . . ?
Rh1 N4 C19 C18 178.4(4) . . . . ?
C17 C18 C19 N4 0.1(7) . . . . ?
C17 C18 C19 C20 176.1(5) . . . . ?
N4 C19 C20 C21 10.1(9) . . . . ?
C18 C19 C20 C21 -165.4(5) . . . . ?
N4 C19 C20 C49 -174.6(5) . . . . ?
C18 C19 C20 C49 9.9(8) . . . . ?
C24 N5 C21 C20 -167.3(5) . . . . ?
C24 N5 C21 C22 4.8(6) . . . . ?
C19 C20 C21 N5 166.7(5) . . . . ?
C49 C20 C21 N5 -8.8(7) . . . . ?
C19 C20 C21 C22 -4.2(9) . . . . ?
C49 C20 C21 C22 -179.6(5) . . . . ?
N5 C21 C22 C23 -2.6(6) . . . . ?
C20 C21 C22 C23 168.7(5) . . . . ?
N5 C21 C22 Rh1 175.2(4) . . . . ?
C20 C21 C22 Rh1 -13.6(7) . . . . ?
C8 Rh1 C22 C23 17.0(5) . . . . ?
N7 Rh1 C22 C23 106.2(5) . . . . ?
N8 Rh1 C22 C23 -75.0(5) . . . . ?
N4 Rh1 C22 C23 -165.0(5) . . . . ?
N3 Rh1 C22 C23 159(7) . . . . ?
C8 Rh1 C22 C21 -160.0(4) . . . . ?
N7 Rh1 C22 C21 -70.8(4) . . . . ?
N8 Rh1 C22 C21 108.0(4) . . . . ?
N4 Rh1 C22 C21 18.0(4) . . . . ?
N3 Rh1 C22 C21 -18(8) . . . . ?
C21 C22 C23 C24 -0.7(5) . . . . ?
Rh1 C22 C23 C24 -178.1(4) . . . . ?
C21 C22 C23 Au1 176.5(4) . . . . ?
Rh1 C22 C23 Au1 -0.9(9) . . . . ?
C7 Au1 C23 C22 -16.8(5) . . . . ?
N1 Au1 C23 C22 -121(4) . . . . ?
N6 Au1 C23 C22 164.6(5) . . . . ?
C7 Au1 C23 C24 160.0(4) . . . . ?
N1 Au1 C23 C24 56(4) . . . . ?
N6 Au1 C23 C24 -18.6(4) . . . . ?
C21 N5 C24 C25 166.4(5) . . . . ?
C21 N5 C24 C23 -5.3(6) . . . . ?
C22 C23 C24 N5 3.8(6) . . . . ?
Au1 C23 C24 N5 -173.8(4) . . . . ?
C22 C23 C24 C25 -166.9(5) . . . . ?
Au1 C23 C24 C25 15.5(8) . . . . ?
N5 C24 C25 C26 -167.5(5) . . . . ?
C23 C24 C25 C26 2.8(9) . . . . ?
N5 C24 C25 C55 6.9(7) . . . . ?
C23 C24 C25 C55 177.1(5) . . . . ?
C29 N6 C26 C25 179.5(5) . . . . ?
Au1 N6 C26 C25 -0.1(8) . . . . ?
C29 N6 C26 C27 0.7(6) . . . . ?
Au1 N6 C26 C27 -178.9(4) . . . . ?
C24 C25 C26 N6 -11.1(9) . . . . ?
C55 C25 C26 N6 174.6(5) . . . . ?
C24 C25 C26 C27 167.5(6) . . . . ?
C55 C25 C26 C27 -6.9(9) . . . . ?
N6 C26 C27 C28 1.3(7) . . . . ?
C25 C26 C27 C28 -177.5(6) . . . . ?
C26 C27 C28 C29 -2.6(7) . . . . ?
C26 N6 C29 C30 170.4(6) . . . . ?
Au1 N6 C29 C30 -10.0(8) . . . . ?
C26 N6 C29 C28 -2.3(6) . . . . ?
Au1 N6 C29 C28 177.3(4) . . . . ?
C27 C28 C29 N6 3.2(7) . . . . ?
C27 C28 C29 C30 -169.5(6) . . . . ?
N1 C1 C30 C29 8.9(10) . . . . ?
C2 C1 C30 C29 -166.7(6) . . . . ?
N1 C1 C30 C61 -176.9(5) . . . . ?
C2 C1 C30 C61 7.5(9) . . . . ?
N6 C29 C30 C1 -5.8(10) . . . . ?
C28 C29 C30 C1 165.7(6) . . . . ?
N6 C29 C30 C61 -179.9(5) . . . . ?
C28 C29 C30 C61 -8.4(9) . . . . ?
C4 C5 C31 C36 -114.9(7) . . . . ?
C6 C5 C31 C36 59.6(8) . . . . ?
C4 C5 C31 C32 69.6(8) . . . . ?
C6 C5 C31 C32 -115.9(7) . . . . ?
C36 C31 C32 F1 179.8(6) . . . . ?
C5 C31 C32 F1 -4.4(9) . . . . ?
C36 C31 C32 C33 -0.9(9) . . . . ?
C5 C31 C32 C33 174.9(6) . . . . ?
F1 C32 C33 F2 -0.2(11) . . . . ?
C31 C32 C33 F2 -179.5(7) . . . . ?
F1 C32 C33 C34 178.6(7) . . . . ?
C31 C32 C33 C34 -0.7(11) . . . . ?
F2 C33 C34 F3 0.3(11) . . . . ?
C32 C33 C34 F3 -178.5(7) . . . . ?
F2 C33 C34 C35 179.9(7) . . . . ?
C32 C33 C34 C35 1.1(11) . . . . ?
F3 C34 C35 F4 -1.6(10) . . . . ?
C33 C34 C35 F4 178.8(6) . . . . ?
F3 C34 C35 C36 179.8(6) . . . . ?
C33 C34 C35 C36 0.1(10) . . . . ?
F4 C35 C36 F5 -1.3(8) . . . . ?
C34 C35 C36 F5 177.4(6) . . . . ?
F4 C35 C36 C31 179.4(5) . . . . ?
C34 C35 C36 C31 -1.9(9) . . . . ?
C32 C31 C36 F5 -177.0(5) . . . . ?
C5 C31 C36 F5 7.3(8) . . . . ?
C32 C31 C36 C35 2.2(9) . . . . ?
C5 C31 C36 C35 -173.5(5) . . . . ?
C11 C10 C37 C38 -110.7(7) . . . . ?
C9 C10 C37 C38 75.5(8) . . . . ?
C11 C10 C37 C42 76.2(8) . . . . ?
C9 C10 C37 C42 -97.6(7) . . . . ?
C42 C37 C38 F6 -179.4(6) . . . . ?
C10 C37 C38 F6 7.3(9) . . . . ?
C42 C37 C38 C39 1.0(10) . . . . ?
C10 C37 C38 C39 -172.3(6) . . . . ?
F6 C38 C39 F7 0.2(11) . . . . ?
C37 C38 C39 F7 179.8(7) . . . . ?
F6 C38 C39 C40 -179.4(7) . . . . ?
C37 C38 C39 C40 0.2(12) . . . . ?
F7 C39 C40 C41 179.4(8) . . . . ?
C38 C39 C40 C41 -1.0(12) . . . . ?
F7 C39 C40 F8 -0.2(13) . . . . ?
C38 C39 C40 F8 179.3(7) . . . . ?
F8 C40 C41 F9 -0.7(12) . . . . ?
C39 C40 C41 F9 179.6(7) . . . . ?
F8 C40 C41 C42 -179.8(7) . . . . ?
C39 C40 C41 C42 0.6(12) . . . . ?
C38 C37 C42 F10 -178.6(6) . . . . ?
C10 C37 C42 F10 -5.3(9) . . . . ?
C38 C37 C42 C41 -1.4(10) . . . . ?
C10 C37 C42 C41 171.9(6) . . . . ?
C40 C41 C42 F10 177.9(7) . . . . ?
F9 C41 C42 F10 -1.1(11) . . . . ?
C40 C41 C42 C37 0.7(11) . . . . ?
F9 C41 C42 C37 -178.3(6) . . . . ?
C16 C15 C43 C48 94.6(7) . . . . ?
C14 C15 C43 C48 -90.6(7) . . . . ?
C16 C15 C43 C44 -84.9(7) . . . . ?
C14 C15 C43 C44 89.9(7) . . . . ?
C48 C43 C44 F11 178.1(5) . . . . ?
C15 C43 C44 F11 -2.4(9) . . . . ?
C48 C43 C44 C45 -1.6(9) . . . . ?
C15 C43 C44 C45 177.9(6) . . . . ?
F11 C44 C45 F12 0.4(10) . . . . ?
C43 C44 C45 F12 -179.9(6) . . . . ?
F11 C44 C45 C46 -177.9(6) . . . . ?
C43 C44 C45 C46 1.8(10) . . . . ?
F12 C45 C46 F13 1.3(10) . . . . ?
C44 C45 C46 F13 179.7(6) . . . . ?
F12 C45 C46 C47 -178.9(6) . . . . ?
C44 C45 C46 C47 -0.6(11) . . . . ?
F13 C46 C47 F14 -1.1(10) . . . . ?
C45 C46 C47 F14 179.1(6) . . . . ?
F13 C46 C47 C48 179.1(6) . . . . ?
C45 C46 C47 C48 -0.7(10) . . . . ?
C44 C43 C48 F15 179.6(5) . . . . ?
C15 C43 C48 F15 0.1(9) . . . . ?
C44 C43 C48 C47 0.3(9) . . . . ?
C15 C43 C48 C47 -179.2(6) . . . . ?
F14 C47 C48 F15 1.7(9) . . . . ?
C46 C47 C48 F15 -178.5(6) . . . . ?
F14 C47 C48 C43 -179.0(6) . . . . ?
C46 C47 C48 C43 0.8(10) . . . . ?
C19 C20 C49 C50 97.7(7) . . . . ?
C21 C20 C49 C50 -86.5(7) . . . . ?
C19 C20 C49 C54 -89.1(7) . . . . ?
C21 C20 C49 C54 86.7(7) . . . . ?
C54 C49 C50 F16 -179.7(6) . . . . ?
C20 C49 C50 F16 -6.2(9) . . . . ?
C54 C49 C50 C51 -0.8(10) . . . . ?
C20 C49 C50 C51 172.7(7) . . . . ?
F16 C50 C51 F17 1.0(13) . . . . ?
C49 C50 C51 F17 -178.0(8) . . . . ?
F16 C50 C51 C52 178.8(7) . . . . ?
C49 C50 C51 C52 -0.2(13) . . . . ?
F17 C51 C52 F18 -0.9(14) . . . . ?
C50 C51 C52 F18 -178.7(8) . . . . ?
F17 C51 C52 C53 179.2(8) . . . . ?
C50 C51 C52 C53 1.3(13) . . . . ?
F18 C52 C53 F19 -1.0(11) . . . . ?
C51 C52 C53 F19 178.9(7) . . . . ?
F18 C52 C53 C54 178.6(7) . . . . ?
C51 C52 C53 C54 -1.4(12) . . . . ?
F19 C53 C54 F20 1.3(10) . . . . ?
C52 C53 C54 F20 -178.3(6) . . . . ?
F19 C53 C54 C49 -179.9(6) . . . . ?
C52 C53 C54 C49 0.4(10) . . . . ?
C50 C49 C54 F20 179.4(6) . . . . ?
C20 C49 C54 F20 5.8(9) . . . . ?
C50 C49 C54 C53 0.7(9) . . . . ?
C20 C49 C54 C53 -172.9(6) . . . . ?
C26 C25 C55 C56 -69.1(7) . . . . ?
C24 C25 C55 C56 116.3(6) . . . . ?
C26 C25 C55 C60 111.4(6) . . . . ?
C24 C25 C55 C60 -63.2(7) . . . . ?
C60 C55 C56 F21 179.1(5) . . . . ?
C25 C55 C56 F21 -0.4(8) . . . . ?
C60 C55 C56 C57 0.5(9) . . . . ?
C25 C55 C56 C57 -179.0(6) . . . . ?
F21 C56 C57 F22 1.1(9) . . . . ?
C55 C56 C57 F22 179.7(6) . . . . ?
F21 C56 C57 C58 -177.9(6) . . . . ?
C55 C56 C57 C58 0.7(10) . . . . ?
F22 C57 C58 F23 1.4(10) . . . . ?
C56 C57 C58 F23 -179.6(6) . . . . ?
F22 C57 C58 C59 179.8(6) . . . . ?
C56 C57 C58 C59 -1.3(10) . . . . ?
F23 C58 C59 F24 -1.5(10) . . . . ?
C57 C58 C59 F24 -179.8(6) . . . . ?
F23 C58 C59 C60 178.9(6) . . . . ?
C57 C58 C59 C60 0.6(10) . . . . ?
F24 C59 C60 F25 2.6(9) . . . . ?
C58 C59 C60 F25 -177.8(6) . . . . ?
F24 C59 C60 C55 -178.9(6) . . . . ?
C58 C59 C60 C55 0.7(10) . . . . ?
C56 C55 C60 F25 177.3(5) . . . . ?
C25 C55 C60 F25 -3.2(8) . . . . ?
C56 C55 C60 C59 -1.2(9) . . . . ?
C25 C55 C60 C59 178.3(5) . . . . ?
C1 C30 C61 C66 88.6(7) . . . . ?
C29 C30 C61 C66 -96.7(7) . . . . ?
C1 C30 C61 C62 -90.4(7) . . . . ?
C29 C30 C61 C62 84.2(7) . . . . ?
C66 C61 C62 F26 -179.3(6) . . . . ?
C30 C61 C62 F26 -0.2(9) . . . . ?
C66 C61 C62 C63 -1.3(9) . . . . ?
C30 C61 C62 C63 177.8(6) . . . . ?
F26 C62 C63 F27 -1.5(10) . . . . ?
C61 C62 C63 F27 -179.5(6) . . . . ?
F26 C62 C63 C64 178.6(6) . . . . ?
C61 C62 C63 C64 0.6(10) . . . . ?
F27 C63 C64 F28 -1.7(10) . . . . ?
C62 C63 C64 F28 178.1(6) . . . . ?
F27 C63 C64 C65 -179.7(6) . . . . ?
C62 C63 C64 C65 0.2(10) . . . . ?
F28 C64 C65 F29 0.8(9) . . . . ?
C63 C64 C65 F29 178.8(6) . . . . ?
F28 C64 C65 C66 -178.1(6) . . . . ?
C63 C64 C65 C66 -0.2(10) . . . . ?
C62 C61 C66 F30 -178.7(6) . . . . ?
C30 C61 C66 F30 2.2(9) . . . . ?
C62 C61 C66 C65 1.3(9) . . . . ?
C30 C61 C66 C65 -177.8(6) . . . . ?
F29 C65 C66 F30 0.5(9) . . . . ?
C64 C65 C66 F30 179.4(6) . . . . ?
F29 C65 C66 C61 -179.5(6) . . . . ?
C64 C65 C66 C61 -0.6(10) . . . . ?
C71 N7 C67 C68 -0.5(11) . . . . ?
Rh1 N7 C67 C68 -179.1(7) . . . . ?
N7 C67 C68 C69 0.6(15) . . . . ?
C67 C68 C69 C70 -1.1(15) . . . . ?
C68 C69 C70 C71 1.4(12) . . . . ?
C69 C70 C71 N7 -1.4(10) . . . . ?
C67 N7 C71 C70 0.9(9) . . . . ?
Rh1 N7 C71 C70 179.5(5) . . . . ?
C76 N8 C72 C73 0.8(10) . . . . ?
Rh1 N8 C72 C73 177.1(6) . . . . ?
N8 C72 C73 C74 -1.0(13) . . . . ?
C72 C73 C74 C75 0.3(13) . . . . ?
C73 C74 C75 C76 0.6(13) . . . . ?
C72 N8 C76 C75 0.2(10) . . . . ?
Rh1 N8 C76 C75 -176.2(5) . . . . ?
C74 C75 C76 N8 -0.8(12) . . . . ?
C1H C2H C3H C4H -172.8(11) . . . . ?
C2H C3H C4H C5H 179.9(9) . . . . ?
C3H C4H C5H C6H 179.3(8) . . . . ?
C7H C8H C9H C9H -175(3) . . . 2_566 ?
C10H C11H C12H C13H -158(5) . . . . ?
C11H C12H C13H C14H 177(4) . . . . ?
C12H C13H C14H C15H -141(4) . . . . ?
