#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/20/7002073.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_7002073
loop_
_publ_author_name
'Page, Michael J.'
'Wagler, Jörg'
'Messerle, Barbara A.'
_publ_section_title
;
 Pyrazolyl-N-heterocyclic carbene complexes of rhodium as hydrogenation
 catalysts: The influence of ligand steric bulk on catalyst activity
;
_journal_issue                   35
_journal_name_full               'Dalton Transactions'
_journal_page_first              7029
_journal_paper_doi               10.1039/b906724h
_journal_year                    2009
_chemical_formula_moiety         '2(C19 H28 N4 Rh), 2(C24 H20 B), C H2 Cl2'
_chemical_formula_sum            'C87 H98 B2 Cl2 N8 Rh2'
_chemical_formula_weight         1554.07
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.5270(10)
_cell_angle_beta                 98.5040(10)
_cell_angle_gamma                96.0850(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3719(2)
_cell_length_b                   14.3921(2)
_cell_length_c                   21.9391(3)
_cell_measurement_reflns_used    126741
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.142
_cell_measurement_theta_min      2.546
_cell_volume                     3798.74(10)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Collect, KappaCCD'
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP32 for windows (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius Kappa CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            106162
_diffrn_reflns_theta_full        33.00
_diffrn_reflns_theta_max         33.00
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    0.556
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     952
_refine_ls_number_reflns         28579
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0292P)²+1.1449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0740
_reflns_number_gt                22913
_reflns_number_total             28579
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906724h.txt
_cod_data_source_block           mp00501
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002073
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
Rh1 Rh 0.164211(8) 0.230739(7) 0.037961(4) 0.01337(2) Uani 1 1 d . . .
N1 N 0.09190(9) 0.20828(8) -0.05683(5) 0.0169(2) Uani 1 1 d . . .
N2 N 0.14670(9) 0.24831(8) -0.09783(5) 0.0177(2) Uani 1 1 d . . .
N3 N 0.24184(9) 0.38202(8) -0.03002(5) 0.0164(2) Uani 1 1 d . . .
N4 N 0.18005(9) 0.45854(8) 0.04520(5) 0.0154(2) Uani 1 1 d . . .
C1 C 0.30862(12) 0.23059(10) 0.10406(7) 0.0208(3) Uani 1 1 d . . .
H1 H 0.3565(15) 0.2839(13) 0.1024(8) 0.024(4) Uiso 1 1 d . . .
C2 C 0.22155(12) 0.24375(10) 0.13668(6) 0.0206(3) Uani 1 1 d . . .
H2 H 0.2180(14) 0.3093(13) 0.1548(8) 0.023(4) Uiso 1 1 d . . .
C3 C 0.16165(13) 0.16854(11) 0.16707(7) 0.0246(3) Uani 1 1 d . . .
H3A H 0.1388 0.1992 0.2054 0.030 Uiso 1 1 calc R . .
H3B H 0.2130 0.1234 0.1793 0.030 Uiso 1 1 calc R . .
C4 C 0.05944(13) 0.11406(11) 0.12343(7) 0.0249(3) Uani 1 1 d . . .
H4A H 0.0436 0.0510 0.1360 0.030 Uiso 1 1 calc R . .
H4B H -0.0047 0.1484 0.1283 0.030 Uiso 1 1 calc R . .
C5 C 0.07341(12) 0.10159(10) 0.05577(7) 0.0199(3) Uani 1 1 d . . .
H5 H 0.0079(15) 0.0950(12) 0.0275(8) 0.023(4) Uiso 1 1 d . . .
C6 C 0.16576(12) 0.07593(9) 0.03296(7) 0.0195(3) Uani 1 1 d . . .
H6 H 0.1589(14) 0.0566(12) -0.0097(8) 0.019(4) Uiso 1 1 d . . .
C7 C 0.26766(12) 0.05251(10) 0.07227(7) 0.0216(3) Uani 1 1 d . . .
H7A H 0.2978 0.0006 0.0486 0.026 Uiso 1 1 calc R . .
H7B H 0.2475 0.0304 0.1105 0.026 Uiso 1 1 calc R . .
C8 C 0.35611(12) 0.13881(11) 0.09049(7) 0.0245(3) Uani 1 1 d . . .
H8A H 0.4071 0.1298 0.1279 0.029 Uiso 1 1 calc R . .
H8B H 0.3993 0.1432 0.0562 0.029 Uiso 1 1 calc R . .
C9 C -0.00320(11) 0.16448(10) -0.09055(6) 0.0197(3) Uani 1 1 d . . .
H9 H -0.0589 0.1294 -0.0743 0.024 Uiso 1 1 calc R . .
C10 C -0.00927(12) 0.17737(11) -0.15288(7) 0.0234(3) Uani 1 1 d . . .
H10 H -0.0681 0.1540 -0.1861 0.028 Uiso 1 1 calc R . .
C11 C 0.08810(12) 0.23105(10) -0.15592(6) 0.0221(3) Uani 1 1 d . . .
H11 H 0.1099 0.2520 -0.1921 0.027 Uiso 1 1 calc R . .
C12 C 0.25468(11) 0.30192(10) -0.07472(6) 0.0183(2) Uani 1 1 d . . .
H12A H 0.3046 0.2615 -0.0545 0.022 Uiso 1 1 calc R . .
H12B H 0.2870 0.3242 -0.1097 0.022 Uiso 1 1 calc R . .
C13 C 0.24599(11) 0.47435(10) -0.04173(6) 0.0190(2) Uani 1 1 d . . .
H13 H 0.2700 0.4986 -0.0764 0.023 Uiso 1 1 calc R . .
C14 C 0.20910(11) 0.52273(9) 0.00609(6) 0.0185(2) Uani 1 1 d . . .
H14 H 0.2038 0.5886 0.0121 0.022 Uiso 1 1 calc R . .
C15 C 0.20055(10) 0.36987(9) 0.02321(6) 0.0149(2) Uani 1 1 d . . .
C16 C 0.13587(11) 0.48804(9) 0.10383(6) 0.0176(2) Uani 1 1 d . . .
C17 C 0.08816(14) 0.58163(10) 0.09947(8) 0.0264(3) Uani 1 1 d . . .
H17A H 0.1480 0.6322 0.0998 0.040 Uiso 1 1 d R . .
H17B H 0.0506 0.5969 0.1351 0.040 Uiso 1 1 d R . .
H17C H 0.0355 0.5756 0.0607 0.040 Uiso 1 1 d R . .
C18 C 0.23208(13) 0.50291(10) 0.15815(7) 0.0231(3) Uani 1 1 d . . .
H18A H 0.2660 0.4445 0.1593 0.035 Uiso 1 1 d R . .
H18B H 0.2049 0.5196 0.1974 0.035 Uiso 1 1 d R . .
H18C H 0.2869 0.5541 0.1525 0.035 Uiso 1 1 d R . .
C19 C 0.04205(12) 0.41322(10) 0.10999(7) 0.0221(3) Uani 1 1 d . . .
H19A H -0.0193 0.4113 0.0758 0.033 Uiso 1 1 d R . .
H19B H 0.0169 0.4292 0.1499 0.033 Uiso 1 1 d R . .
H19C H 0.0685 0.3512 0.1082 0.033 Uiso 1 1 d R . .
B1 B 0.11316(11) 0.76561(10) 0.62809(7) 0.0139(2) Uani 1 1 d . . .
C39 C 0.07488(10) 0.87110(9) 0.64558(6) 0.0149(2) Uani 1 1 d . . .
C40 C 0.03919(11) 0.89769(9) 0.70267(6) 0.0174(2) Uani 1 1 d . . .
H40 H 0.0395 0.8542 0.7317 0.021 Uiso 1 1 calc R . .
C41 C 0.00333(12) 0.98508(10) 0.71842(7) 0.0220(3) Uani 1 1 d . . .
H41 H -0.0237 0.9986 0.7565 0.026 Uiso 1 1 calc R . .
C42 C 0.00705(12) 1.05244(10) 0.67841(7) 0.0238(3) Uani 1 1 d . . .
H42 H -0.0172 1.1121 0.6888 0.029 Uiso 1 1 calc R . .
C43 C 0.04679(11) 1.03083(10) 0.62309(7) 0.0216(3) Uani 1 1 d . . .
H43 H 0.0526 1.0768 0.5960 0.026 Uiso 1 1 calc R . .
C44 C 0.07834(11) 0.94144(9) 0.60698(7) 0.0177(2) Uani 1 1 d . . .
H44 H 0.1032 0.9278 0.5682 0.021 Uiso 1 1 calc R . .
C45 C 0.21574(10) 0.75217(9) 0.68205(6) 0.0143(2) Uani 1 1 d . . .
C46 C 0.28284(11) 0.82850(10) 0.72047(7) 0.0191(3) Uani 1 1 d . . .
H46 H 0.2651 0.8905 0.7175 0.023 Uiso 1 1 calc R . .
C47 C 0.37468(11) 0.81728(10) 0.76291(7) 0.0221(3) Uani 1 1 d . . .
H47 H 0.4175 0.8711 0.7883 0.027 Uiso 1 1 calc R . .
C48 C 0.40345(11) 0.72785(10) 0.76812(6) 0.0196(3) Uani 1 1 d . . .
H48 H 0.4663 0.7198 0.7966 0.024 Uiso 1 1 calc R . .
C49 C 0.33913(12) 0.65039(10) 0.73114(7) 0.0211(3) Uani 1 1 d . . .
H49 H 0.3579 0.5886 0.7342 0.025 Uiso 1 1 calc R . .
C50 C 0.24684(12) 0.66266(10) 0.68937(6) 0.0194(3) Uani 1 1 d . . .
H50 H 0.2034 0.6084 0.6650 0.023 Uiso 1 1 calc R . .
C51 C 0.01081(10) 0.67932(9) 0.62323(6) 0.0145(2) Uani 1 1 d . . .
C52 C -0.07707(11) 0.68243(10) 0.65701(7) 0.0188(2) Uani 1 1 d . . .
H52 H -0.0807 0.7389 0.6839 0.023 Uiso 1 1 calc R . .
C53 C -0.15915(12) 0.60669(11) 0.65293(8) 0.0238(3) Uani 1 1 d . . .
H53 H -0.2172 0.6127 0.6765 0.029 Uiso 1 1 calc R . .
C54 C -0.15660(12) 0.52249(10) 0.61464(7) 0.0242(3) Uani 1 1 d . . .
H54 H -0.2121 0.4705 0.6120 0.029 Uiso 1 1 calc R . .
C55 C -0.07149(12) 0.51575(10) 0.58038(7) 0.0221(3) Uani 1 1 d . . .
H55 H -0.0681 0.4585 0.5541 0.027 Uiso 1 1 calc R . .
C56 C 0.00909(11) 0.59247(10) 0.58435(6) 0.0185(2) Uani 1 1 d . . .
H56 H 0.0657 0.5862 0.5597 0.022 Uiso 1 1 calc R . .
C57 C 0.15467(10) 0.75588(9) 0.55968(6) 0.0142(2) Uani 1 1 d . . .
C58 C 0.26196(11) 0.74058(9) 0.55106(6) 0.0164(2) Uani 1 1 d . . .
H58 H 0.3145 0.7365 0.5865 0.020 Uiso 1 1 calc R . .
C59 C 0.29467(12) 0.73105(9) 0.49249(7) 0.0194(3) Uani 1 1 d . . .
H59 H 0.3682 0.7208 0.4889 0.023 Uiso 1 1 calc R . .
C60 C 0.22009(12) 0.73650(10) 0.43949(7) 0.0205(3) Uani 1 1 d . . .
H60 H 0.2421 0.7305 0.3996 0.025 Uiso 1 1 calc R . .
C61 C 0.11258(12) 0.75094(10) 0.44591(6) 0.0205(3) Uani 1 1 d . . .
H61 H 0.0604 0.7544 0.4102 0.025 Uiso 1 1 calc R . .
C62 C 0.08147(11) 0.76030(10) 0.50469(6) 0.0183(2) Uani 1 1 d . . .
H62 H 0.0076 0.7701 0.5079 0.022 Uiso 1 1 calc R . .
Rh2 Rh 0.365762(8) 0.279465(7) 0.529175(4) 0.01285(2) Uani 1 1 d . . .
N5 N 0.36940(9) 0.24709(8) 0.43279(5) 0.0150(2) Uani 1 1 d . . .
N6 N 0.28208(9) 0.19047(8) 0.39729(5) 0.0148(2) Uani 1 1 d . . .
N7 N 0.23490(9) 0.09816(8) 0.47316(5) 0.0148(2) Uani 1 1 d . . .
N8 N 0.34636(9) 0.05888(7) 0.54720(5) 0.01393(19) Uani 1 1 d . . .
C20 C 0.27686(13) 0.31927(10) 0.60263(7) 0.0229(3) Uani 1 1 d . . .
H20 H 0.2294(16) 0.2665(14) 0.6068(9) 0.033(5) Uiso 1 1 d . . .
C21 C 0.38756(13) 0.32514(10) 0.62854(6) 0.0212(3) Uani 1 1 d . . .
H21 H 0.4103(14) 0.2728(12) 0.6475(8) 0.021(4) Uiso 1 1 d . . .
C22 C 0.46682(13) 0.41617(10) 0.64902(7) 0.0233(3) Uani 1 1 d . . .
H22A H 0.5197 0.4089 0.6861 0.028 Uiso 1 1 calc R . .
H22B H 0.4247 0.4684 0.6612 0.028 Uiso 1 1 calc R . .
C23 C 0.53080(12) 0.44191(10) 0.59764(7) 0.0217(3) Uani 1 1 d . . .
H23A H 0.5542 0.5109 0.6048 0.026 Uiso 1 1 calc R . .
H23B H 0.5980 0.4100 0.6001 0.026 Uiso 1 1 calc R . .
C24 C 0.46391(11) 0.41414(9) 0.53328(6) 0.0179(2) Uani 1 1 d . . .
H24 H 0.5066(13) 0.4044(11) 0.5009(7) 0.015(4) Uiso 1 1 d . . .
C25 C 0.35480(12) 0.42695(9) 0.51603(7) 0.0197(3) Uani 1 1 d . . .
H25 H 0.3273(14) 0.4232(12) 0.4729(8) 0.019(4) Uiso 1 1 d . . .
C26 C 0.28522(13) 0.47459(10) 0.55886(7) 0.0245(3) Uani 1 1 d . . .
H26A H 0.2353 0.5113 0.5350 0.029 Uiso 1 1 calc R . .
H26B H 0.3338 0.5192 0.5925 0.029 Uiso 1 1 calc R . .
C27 C 0.21674(13) 0.40223(11) 0.58775(9) 0.0299(3) Uani 1 1 d . . .
H27A H 0.1968 0.4341 0.6266 0.036 Uiso 1 1 calc R . .
H27B H 0.1476 0.3783 0.5585 0.036 Uiso 1 1 calc R . .
C28 C 0.43597(11) 0.27023(10) 0.39272(6) 0.0184(2) Uani 1 1 d . . .
H28 H 0.5047 0.3095 0.4042 0.022 Uiso 1 1 calc R . .
C29 C 0.39082(12) 0.22887(10) 0.33174(7) 0.0217(3) Uani 1 1 d . . .
H29 H 0.4215 0.2344 0.2950 0.026 Uiso 1 1 calc R . .
C30 C 0.29238(12) 0.17842(10) 0.33650(6) 0.0190(3) Uani 1 1 d . . .
H30 H 0.2412 0.1419 0.3032 0.023 Uiso 1 1 calc R . .
C31 C 0.19241(10) 0.15468(9) 0.42699(6) 0.0160(2) Uani 1 1 d . . .
H31A H 0.1342 0.1155 0.3954 0.019 Uiso 1 1 calc R . .
H31B H 0.1598 0.2080 0.4473 0.019 Uiso 1 1 calc R . .
C32 C 0.21786(11) 0.00044(9) 0.46608(6) 0.0173(2) Uani 1 1 d . . .
H32 H 0.1679 -0.0409 0.4345 0.021 Uiso 1 1 calc R . .
C33 C 0.28676(11) -0.02388(9) 0.51312(6) 0.0168(2) Uani 1 1 d . . .
H33 H 0.2935 -0.0863 0.5216 0.020 Uiso 1 1 calc R . .
C34 C 0.31470(10) 0.13598(9) 0.52271(6) 0.0139(2) Uani 1 1 d . . .
C35 C 0.43258(11) 0.05976(9) 0.60329(6) 0.0172(2) Uani 1 1 d . . .
C36 C 0.47077(13) -0.03816(10) 0.60215(8) 0.0274(3) Uani 1 1 d . . .
H36A H 0.4100 -0.0839 0.6080 0.041 Uiso 1 1 d R . .
H36B H 0.5331 -0.0358 0.6358 0.041 Uiso 1 1 d R . .
H36C H 0.4936 -0.0574 0.5619 0.041 Uiso 1 1 d R . .
C37 C 0.38022(13) 0.08229(11) 0.66171(6) 0.0237(3) Uani 1 1 d . . .
H37A H 0.3477 0.1413 0.6603 0.036 Uiso 1 1 d R . .
H37B H 0.4368 0.0892 0.6989 0.036 Uiso 1 1 d R . .
H37C H 0.3227 0.0308 0.6633 0.036 Uiso 1 1 d R . .
C38 C 0.53152(11) 0.13039(10) 0.59957(7) 0.0209(3) Uani 1 1 d . . .
H38A H 0.5654 0.1082 0.5636 0.031 Uiso 1 1 d R . .
H38B H 0.5855 0.1363 0.6378 0.031 Uiso 1 1 d R . .
H38C H 0.5072 0.1921 0.5949 0.031 Uiso 1 1 d R . .
B2 B 0.54521(12) 0.20853(10) 0.88659(7) 0.0145(2) Uani 1 1 d . . .
C63 C 0.60680(10) 0.16288(9) 0.83025(6) 0.0153(2) Uani 1 1 d . . .
C64 C 0.67235(11) 0.21729(10) 0.79750(6) 0.0199(3) Uani 1 1 d . . .
H64 H 0.6798 0.2842 0.8072 0.024 Uiso 1 1 calc R . .
C65 C 0.72718(11) 0.17709(11) 0.75127(7) 0.0225(3) Uani 1 1 d . . .
H65 H 0.7708 0.2167 0.7304 0.027 Uiso 1 1 calc R . .
C66 C 0.71812(12) 0.07963(11) 0.73578(6) 0.0227(3) Uani 1 1 d . . .
H66 H 0.7553 0.0520 0.7045 0.027 Uiso 1 1 calc R . .
C67 C 0.65375(12) 0.02345(10) 0.76683(7) 0.0227(3) Uani 1 1 d . . .
H67 H 0.6466 -0.0434 0.7568 0.027 Uiso 1 1 calc R . .
C68 C 0.59931(11) 0.06460(10) 0.81280(6) 0.0186(2) Uani 1 1 d . . .
H68 H 0.5553 0.0244 0.8332 0.022 Uiso 1 1 calc R . .
C69 C 0.62894(10) 0.22314(8) 0.95372(6) 0.0142(2) Uani 1 1 d . . .
C70 C 0.74208(11) 0.21567(9) 0.95956(6) 0.0162(2) Uani 1 1 d . . .
H70 H 0.7722 0.1978 0.9230 0.019 Uiso 1 1 calc R . .
C71 C 0.81232(11) 0.23356(9) 1.01711(6) 0.0197(3) Uani 1 1 d . . .
H71 H 0.8886 0.2281 1.0189 0.024 Uiso 1 1 calc R . .
C72 C 0.77107(12) 0.25921(10) 1.07165(7) 0.0220(3) Uani 1 1 d . . .
H72 H 0.8186 0.2720 1.1108 0.026 Uiso 1 1 calc R . .
C73 C 0.65903(12) 0.26579(10) 1.06790(6) 0.0212(3) Uani 1 1 d . . .
H73 H 0.6292 0.2826 1.1047 0.025 Uiso 1 1 calc R . .
C74 C 0.59049(11) 0.24780(9) 1.01018(6) 0.0179(2) Uani 1 1 d . . .
H74 H 0.5142 0.2524 1.0089 0.021 Uiso 1 1 calc R . .
C75 C 0.43623(10) 0.13252(9) 0.88776(6) 0.0156(2) Uani 1 1 d . . .
C76 C 0.43866(12) 0.06307(10) 0.92716(7) 0.0202(3) Uani 1 1 d . . .
H76 H 0.5011 0.0665 0.9587 0.024 Uiso 1 1 calc R . .
C77 C 0.35359(13) -0.01083(11) 0.92209(7) 0.0247(3) Uani 1 1 d . . .
H77 H 0.3596 -0.0568 0.9494 0.030 Uiso 1 1 calc R . .
C78 C 0.26044(12) -0.01728(11) 0.87738(8) 0.0267(3) Uani 1 1 d . . .
H78 H 0.2021 -0.0673 0.8737 0.032 Uiso 1 1 calc R . .
C79 C 0.25397(12) 0.05061(11) 0.83806(8) 0.0282(3) Uani 1 1 d . . .
H79 H 0.1904 0.0474 0.8073 0.034 Uiso 1 1 calc R . .
C80 C 0.33983(11) 0.12343(10) 0.84330(7) 0.0215(3) Uani 1 1 d . . .
H80 H 0.3331 0.1689 0.8157 0.026 Uiso 1 1 calc R . .
C81 C 0.51032(10) 0.31276(9) 0.87304(6) 0.0150(2) Uani 1 1 d . . .
C82 C 0.52776(11) 0.39352(9) 0.91867(6) 0.0167(2) Uani 1 1 d . . .
H82 H 0.5630 0.3886 0.9594 0.020 Uiso 1 1 calc R . .
C83 C 0.49567(12) 0.48070(10) 0.90696(7) 0.0210(3) Uani 1 1 d . . .
H83 H 0.5109 0.5335 0.9392 0.025 Uiso 1 1 calc R . .
C84 C 0.44177(13) 0.49018(11) 0.84862(7) 0.0245(3) Uani 1 1 d . . .
H84 H 0.4181 0.5487 0.8406 0.029 Uiso 1 1 calc R . .
C85 C 0.42289(13) 0.41224(11) 0.80193(7) 0.0246(3) Uani 1 1 d . . .
H85 H 0.3856 0.4174 0.7617 0.030 Uiso 1 1 calc R . .
C86 C 0.45836(12) 0.32652(10) 0.81391(6) 0.0202(3) Uani 1 1 d . . .
H86 H 0.4469 0.2752 0.7807 0.024 Uiso 1 1 calc R . .
Cl1 Cl -0.06273(8) 0.36294(4) 0.72341(3) 0.03779(17) Uani 0.884(3) 1 d PD A 1
C87 C 0.03192(18) 0.46421(15) 0.7253(3) 0.0362(5) Uani 0.884(3) 1 d PD A 1
H87A H -0.0025 0.5213 0.7378 0.043 Uiso 0.884(3) 1 calc PR A 1
H87B H 0.0495 0.4670 0.6830 0.043 Uiso 0.884(3) 1 calc PR A 1
Cl2 Cl 0.15489(6) 0.46482(9) 0.77751(6) 0.0600(3) Uani 0.884(3) 1 d PDU A 1
Cl1A Cl -0.0240(6) 0.3581(4) 0.7125(3) 0.03779(17) Uani 0.116(3) 1 d PD A 2
C87A C 0.0475(14) 0.4733(8) 0.726(3) 0.0362(5) Uani 0.116(3) 1 d PD A 2
H87C H 0.0188 0.5172 0.7563 0.043 Uiso 0.116(3) 1 calc PR A 2
H87D H 0.0524 0.5007 0.6870 0.043 Uiso 0.116(3) 1 calc PR A 2
Cl2A Cl 0.1707(5) 0.4334(7) 0.7570(4) 0.0600(3) Uani 0.116(3) 1 d PD 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'
B B 0.0013 0.0007 '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
C15 Rh1 N1 84.03(5) . . ?
C15 Rh1 C1 95.71(5) . . ?
N1 Rh1 C1 146.72(5) . . ?
C15 Rh1 C2 100.75(5) . . ?
N1 Rh1 C2 173.38(5) . . ?
C1 Rh1 C2 38.00(6) . . ?
C15 Rh1 C5 160.87(5) . . ?
N1 Rh1 C5 92.56(5) . . ?
C1 Rh1 C5 97.36(5) . . ?
C2 Rh1 C5 81.42(6) . . ?
C15 Rh1 C6 161.13(5) . . ?
N1 Rh1 C6 88.77(5) . . ?
C1 Rh1 C6 80.86(5) . . ?
C2 Rh1 C6 88.01(5) . . ?
C5 Rh1 C6 36.55(5) . . ?
C9 N1 N2 105.32(11) . . ?
C9 N1 Rh1 136.08(10) . . ?
N2 N1 Rh1 118.55(8) . . ?
C11 N2 N1 111.61(12) . . ?
C11 N2 C12 130.00(12) . . ?
N1 N2 C12 118.39(11) . . ?
C15 N3 C13 112.51(11) . . ?
C15 N3 C12 121.38(11) . . ?
C13 N3 C12 124.70(11) . . ?
C15 N4 C14 110.79(11) . . ?
C15 N4 C16 126.94(11) . . ?
C14 N4 C16 122.24(11) . . ?
C2 C1 C8 125.87(14) . . ?
C2 C1 Rh1 72.00(8) . . ?
C8 C1 Rh1 109.48(10) . . ?
C2 C1 H1 116.8(11) . . ?
C8 C1 H1 113.9(11) . . ?
Rh1 C1 H1 107.6(11) . . ?
C1 C2 C3 125.35(13) . . ?
C1 C2 Rh1 70.00(8) . . ?
C3 C2 Rh1 112.72(10) . . ?
C1 C2 H2 115.4(10) . . ?
C3 C2 H2 115.0(10) . . ?
Rh1 C2 H2 107.3(10) . . ?
C2 C3 C4 112.36(12) . . ?
C2 C3 H3A 109.1 . . ?
C4 C3 H3A 109.1 . . ?
C2 C3 H3B 109.1 . . ?
C4 C3 H3B 109.1 . . ?
H3A C3 H3B 107.9 . . ?
C5 C4 C3 112.96(12) . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C3 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C6 C5 C4 125.71(13) . . ?
C6 C5 Rh1 73.30(8) . . ?
C4 C5 Rh1 108.37(10) . . ?
C6 C5 H5 117.4(11) . . ?
C4 C5 H5 114.7(11) . . ?
Rh1 C5 H5 103.4(11) . . ?
C5 C6 C7 124.77(13) . . ?
C5 C6 Rh1 70.15(8) . . ?
C7 C6 Rh1 111.74(9) . . ?
C5 C6 H6 117.6(10) . . ?
C7 C6 H6 115.7(10) . . ?
Rh1 C6 H6 101.9(10) . . ?
C6 C7 C8 111.26(11) . . ?
C6 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
C6 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C1 C8 C7 113.07(12) . . ?
C1 C8 H8A 109.0 . . ?
C7 C8 H8A 109.0 . . ?
C1 C8 H8B 109.0 . . ?
C7 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
N1 C9 C10 110.69(13) . . ?
N1 C9 H9 124.7 . . ?
C10 C9 H9 124.7 . . ?
C11 C10 C9 105.38(12) . . ?
C11 C10 H10 127.3 . . ?
C9 C10 H10 127.3 . . ?
N2 C11 C10 107.00(13) . . ?
N2 C11 H11 126.5 . . ?
C10 C11 H11 126.5 . . ?
N3 C12 N2 108.42(10) . . ?
N3 C12 H12A 110.0 . . ?
N2 C12 H12A 110.0 . . ?
N3 C12 H12B 110.0 . . ?
N2 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
C14 C13 N3 105.84(12) . . ?
C14 C13 H13 127.1 . . ?
N3 C13 H13 127.1 . . ?
C13 C14 N4 107.51(11) . . ?
C13 C14 H14 126.2 . . ?
N4 C14 H14 126.2 . . ?
N3 C15 N4 103.32(11) . . ?
N3 C15 Rh1 116.21(9) . . ?
N4 C15 Rh1 139.38(10) . . ?
N4 C16 C18 107.75(11) . . ?
N4 C16 C19 108.98(11) . . ?
C18 C16 C19 113.75(12) . . ?
N4 C16 C17 109.26(11) . . ?
C18 C16 C17 109.16(12) . . ?
C19 C16 C17 107.87(11) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C45 B1 C57 109.16(10) . . ?
C45 B1 C39 108.61(10) . . ?
C57 B1 C39 110.39(10) . . ?
C45 B1 C51 109.69(10) . . ?
C57 B1 C51 106.70(10) . . ?
C39 B1 C51 112.25(10) . . ?
C44 C39 C40 114.94(11) . . ?
C44 C39 B1 123.85(11) . . ?
C40 C39 B1 121.19(11) . . ?
C41 C40 C39 122.90(13) . . ?
C41 C40 H40 118.5 . . ?
C39 C40 H40 118.5 . . ?
C42 C41 C40 120.14(13) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C43 C42 C41 118.75(12) . . ?
C43 C42 H42 120.6 . . ?
C41 C42 H42 120.6 . . ?
C42 C43 C44 120.24(14) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C39 122.89(13) . . ?
C43 C44 H44 118.6 . . ?
C39 C44 H44 118.6 . . ?
C46 C45 C50 115.26(12) . . ?
C46 C45 B1 122.94(11) . . ?
C50 C45 B1 121.64(11) . . ?
C47 C46 C45 122.83(12) . . ?
C47 C46 H46 118.6 . . ?
C45 C46 H46 118.6 . . ?
C48 C47 C46 120.12(13) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C47 118.93(12) . . ?
C49 C48 H48 120.5 . . ?
C47 C48 H48 120.5 . . ?
C48 C49 C50 120.27(12) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C49 C50 C45 122.56(13) . . ?
C49 C50 H50 118.7 . . ?
C45 C50 H50 118.7 . . ?
C52 C51 C56 114.29(12) . . ?
C52 C51 B1 125.36(11) . . ?
C56 C51 B1 120.31(11) . . ?
C53 C52 C51 123.20(13) . . ?
C53 C52 H52 118.4 . . ?
C51 C52 H52 118.4 . . ?
C54 C53 C52 120.39(13) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C55 C54 C53 118.67(14) . . ?
C55 C54 H54 120.7 . . ?
C53 C54 H54 120.7 . . ?
C54 C55 C56 120.24(13) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C55 C56 C51 123.20(13) . . ?
C55 C56 H56 118.4 . . ?
C51 C56 H56 118.4 . . ?
C58 C57 C62 115.09(12) . . ?
C58 C57 B1 123.83(11) . . ?
C62 C57 B1 121.06(11) . . ?
C59 C58 C57 122.77(12) . . ?
C59 C58 H58 118.6 . . ?
C57 C58 H58 118.6 . . ?
C60 C59 C58 120.29(12) . . ?
C60 C59 H59 119.9 . . ?
C58 C59 H59 119.9 . . ?
C59 C60 C61 118.79(13) . . ?
C59 C60 H60 120.6 . . ?
C61 C60 H60 120.6 . . ?
C60 C61 C62 120.11(13) . . ?
C60 C61 H61 119.9 . . ?
C62 C61 H61 119.9 . . ?
C61 C62 C57 122.94(12) . . ?
C61 C62 H62 118.5 . . ?
C57 C62 H62 118.5 . . ?
C34 Rh2 N5 84.30(5) . . ?
C34 Rh2 C20 94.47(5) . . ?
N5 Rh2 C20 149.37(5) . . ?
C34 Rh2 C24 163.39(5) . . ?
N5 Rh2 C24 90.84(5) . . ?
C20 Rh2 C24 97.72(5) . . ?
C34 Rh2 C21 101.88(5) . . ?
N5 Rh2 C21 170.88(5) . . ?
C20 Rh2 C21 37.83(6) . . ?
C24 Rh2 C21 81.35(5) . . ?
C34 Rh2 C25 157.70(5) . . ?
N5 Rh2 C25 88.42(5) . . ?
C20 Rh2 C25 81.21(6) . . ?
C24 Rh2 C25 37.10(5) . . ?
C21 Rh2 C25 88.15(5) . . ?
C28 N5 N6 105.10(11) . . ?
C28 N5 Rh2 137.34(10) . . ?
N6 N5 Rh2 117.51(8) . . ?
C30 N6 N5 111.68(11) . . ?
C30 N6 C31 129.39(12) . . ?
N5 N6 C31 118.90(10) . . ?
C34 N7 C32 112.22(10) . . ?
C34 N7 C31 121.70(11) . . ?
C32 N7 C31 124.84(11) . . ?
C34 N8 C33 110.69(10) . . ?
C34 N8 C35 126.27(11) . . ?
C33 N8 C35 123.04(10) . . ?
C21 C20 C27 125.48(14) . . ?
C21 C20 Rh2 72.17(8) . . ?
C27 C20 Rh2 109.06(10) . . ?
C21 C20 H20 118.3(12) . . ?
C27 C20 H20 112.9(12) . . ?
Rh2 C20 H20 108.0(12) . . ?
C20 C21 C22 125.56(13) . . ?
C20 C21 Rh2 70.00(8) . . ?
C22 C21 Rh2 112.35(9) . . ?
C20 C21 H21 117.2(11) . . ?
C22 C21 H21 114.0(11) . . ?
Rh2 C21 H21 105.8(10) . . ?
C21 C22 C23 112.39(11) . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22B 109.1 . . ?
C23 C22 H22B 109.1 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 112.70(12) . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C25 C24 C23 125.82(12) . . ?
C25 C24 Rh2 72.84(8) . . ?
C23 C24 Rh2 108.95(9) . . ?
C25 C24 H24 117.2(10) . . ?
C23 C24 H24 114.4(10) . . ?
Rh2 C24 H24 104.6(10) . . ?
C24 C25 C26 124.87(13) . . ?
C24 C25 Rh2 70.06(8) . . ?
C26 C25 Rh2 112.14(10) . . ?
C24 C25 H25 118.0(10) . . ?
C26 C25 H25 114.5(10) . . ?
Rh2 C25 H25 104.1(10) . . ?
C25 C26 C27 111.42(12) . . ?
C25 C26 H26A 109.3 . . ?
C27 C26 H26A 109.3 . . ?
C25 C26 H26B 109.3 . . ?
C27 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C20 C27 C26 113.03(12) . . ?
C20 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
C20 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
N5 C28 C29 110.94(13) . . ?
N5 C28 H28 124.5 . . ?
C29 C28 H28 124.5 . . ?
C30 C29 C28 105.12(12) . . ?
C30 C29 H29 127.4 . . ?
C28 C29 H29 127.4 . . ?
N6 C30 C29 107.17(13) . . ?
N6 C30 H30 126.4 . . ?
C29 C30 H30 126.4 . . ?
N6 C31 N7 108.89(10) . . ?
N6 C31 H31A 109.9 . . ?
N7 C31 H31A 109.9 . . ?
N6 C31 H31B 109.9 . . ?
N7 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?
C33 C32 N7 105.76(11) . . ?
C33 C32 H32 127.1 . . ?
N7 C32 H32 127.1 . . ?
C32 C33 N8 107.68(11) . . ?
C32 C33 H33 126.2 . . ?
N8 C33 H33 126.2 . . ?
N8 C34 N7 103.62(11) . . ?
N8 C34 Rh2 139.85(9) . . ?
N7 C34 Rh2 115.56(8) . . ?
N8 C35 C38 108.52(10) . . ?
N8 C35 C36 109.27(11) . . ?
C38 C35 C36 108.00(12) . . ?
N8 C35 C37 108.12(11) . . ?
C38 C35 C37 113.92(12) . . ?
C36 C35 C37 108.95(12) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C69 B2 C63 110.07(10) . . ?
C69 B2 C75 110.24(11) . . ?
C63 B2 C75 106.48(10) . . ?
C69 B2 C81 108.54(10) . . ?
C63 B2 C81 109.85(10) . . ?
C75 B2 C81 111.66(10) . . ?
C64 C63 C68 115.07(12) . . ?
C64 C63 B2 123.58(11) . . ?
C68 C63 B2 121.33(12) . . ?
C65 C64 C63 122.75(13) . . ?
C65 C64 H64 118.6 . . ?
C63 C64 H64 118.6 . . ?
C66 C65 C64 120.30(14) . . ?
C66 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C67 C66 C65 118.72(13) . . ?
C67 C66 H66 120.6 . . ?
C65 C66 H66 120.6 . . ?
C66 C67 C68 120.34(13) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C67 C68 C63 122.82(14) . . ?
C67 C68 H68 118.6 . . ?
C63 C68 H68 118.6 . . ?
C70 C69 C74 115.13(12) . . ?
C70 C69 B2 123.95(11) . . ?
C74 C69 B2 120.89(11) . . ?
C71 C70 C69 122.60(12) . . ?
C71 C70 H70 118.7 . . ?
C69 C70 H70 118.7 . . ?
C72 C71 C70 120.31(13) . . ?
C72 C71 H71 119.8 . . ?
C70 C71 H71 119.8 . . ?
C71 C72 C73 118.81(13) . . ?
C71 C72 H72 120.6 . . ?
C73 C72 H72 120.6 . . ?
C72 C73 C74 120.01(13) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 C69 123.12(13) . . ?
C73 C74 H74 118.4 . . ?
C69 C74 H74 118.4 . . ?
C76 C75 C80 114.85(13) . . ?
C76 C75 B2 122.23(11) . . ?
C80 C75 B2 122.28(12) . . ?
C77 C76 C75 123.01(13) . . ?
C77 C76 H76 118.5 . . ?
C75 C76 H76 118.5 . . ?
C78 C77 C76 120.14(14) . . ?
C78 C77 H77 119.9 . . ?
C76 C77 H77 119.9 . . ?
C77 C78 C79 118.72(14) . . ?
C77 C78 H78 120.6 . . ?
C79 C78 H78 120.6 . . ?
C78 C79 C80 120.51(14) . . ?
C78 C79 H79 119.7 . . ?
C80 C79 H79 119.7 . . ?
C79 C80 C75 122.75(14) . . ?
C79 C80 H80 118.6 . . ?
C75 C80 H80 118.6 . . ?
C82 C81 C86 114.60(12) . . ?
C82 C81 B2 123.74(11) . . ?
C86 C81 B2 121.65(11) . . ?
C83 C82 C81 123.19(12) . . ?
C83 C82 H82 118.4 . . ?
C81 C82 H82 118.4 . . ?
C84 C83 C82 120.20(13) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C83 C84 C85 118.66(13) . . ?
C83 C84 H84 120.7 . . ?
C85 C84 H84 120.7 . . ?
C84 C85 C86 120.39(13) . . ?
C84 C85 H85 119.8 . . ?
C86 C85 H85 119.8 . . ?
C85 C86 C81 122.90(13) . . ?
C85 C86 H86 118.5 . . ?
C81 C86 H86 118.5 . . ?
Cl1 C87 Cl2 112.33(18) . . ?
Cl1 C87 H87A 109.1 . . ?
Cl2 C87 H87A 109.1 . . ?
Cl1 C87 H87B 109.1 . . ?
Cl2 C87 H87B 109.1 . . ?
H87A C87 H87B 107.9 . . ?
Cl1A C87A Cl2A 91.8(5) . . ?
Cl1A C87A H87C 113.3 . . ?
Cl2A C87A H87C 113.3 . . ?
Cl1A C87A H87D 113.3 . . ?
Cl2A C87A H87D 113.3 . . ?
H87C C87A H87D 110.6 . . ?
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
Rh1 C15 2.0829(13) . ?
Rh1 N1 2.1075(11) . ?
Rh1 C1 2.1285(13) . ?
Rh1 C2 2.1541(13) . ?
Rh1 C5 2.1788(14) . ?
Rh1 C6 2.2186(13) . ?
N1 C9 1.3388(17) . ?
N1 N2 1.3542(16) . ?
N2 C11 1.3481(17) . ?
N2 C12 1.4546(18) . ?
N3 C15 1.3660(17) . ?
N3 C13 1.3832(17) . ?
N3 C12 1.4508(17) . ?
N4 C15 1.3670(16) . ?
N4 C14 1.3955(17) . ?
N4 C16 1.4992(17) . ?
C1 C2 1.394(2) . ?
C1 C8 1.514(2) . ?
C1 H1 0.926(19) . ?
C2 C3 1.527(2) . ?
C2 H2 0.983(17) . ?
C3 C4 1.538(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.509(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.379(2) . ?
C5 H5 0.933(17) . ?
C6 C7 1.5138(19) . ?
C6 H6 0.930(17) . ?
C7 C8 1.534(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.396(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.376(2) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.3459(19) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C16 C18 1.530(2) . ?
C16 C19 1.531(2) . ?
C16 C17 1.5355(19) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
B1 C45 1.6483(19) . ?
B1 C57 1.6506(19) . ?
B1 C39 1.6523(18) . ?
B1 C51 1.658(2) . ?
C39 C44 1.4034(18) . ?
C39 C40 1.4085(18) . ?
C40 C41 1.3957(18) . ?
C40 H40 0.9500 . ?
C41 C42 1.392(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.386(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.4003(18) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.4012(19) . ?
C45 C50 1.4052(18) . ?
C46 C47 1.3962(19) . ?
C46 H46 0.9500 . ?
C47 C48 1.386(2) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(2) . ?
C48 H48 0.9500 . ?
C49 C50 1.3966(19) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.4047(18) . ?
C51 C56 1.4144(18) . ?
C52 C53 1.393(2) . ?
C52 H52 0.9500 . ?
C53 C54 1.387(2) . ?
C53 H53 0.9500 . ?
C54 C55 1.386(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.391(2) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C58 1.4041(17) . ?
C57 C62 1.4103(18) . ?
C58 C59 1.3977(19) . ?
C58 H58 0.9500 . ?
C59 C60 1.390(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.392(2) . ?
C60 H60 0.9500 . ?
C61 C62 1.3934(19) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
Rh2 C34 2.0746(13) . ?
Rh2 N5 2.1132(11) . ?
Rh2 C20 2.1332(13) . ?
Rh2 C24 2.1593(14) . ?
Rh2 C21 2.1611(14) . ?
Rh2 C25 2.1947(13) . ?
N5 C28 1.3397(17) . ?
N5 N6 1.3549(15) . ?
N6 C30 1.3487(17) . ?
N6 C31 1.4497(17) . ?
N7 C34 1.3661(16) . ?
N7 C32 1.3845(17) . ?
N7 C31 1.4536(16) . ?
N8 C34 1.3635(15) . ?
N8 C33 1.3925(17) . ?
N8 C35 1.5024(16) . ?
C20 C21 1.392(2) . ?
C20 C27 1.518(2) . ?
C20 H20 0.93(2) . ?
C21 C22 1.524(2) . ?
C21 H21 0.955(17) . ?
C22 C23 1.532(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.508(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.3854(19) . ?
C24 H24 0.951(16) . ?
C25 C26 1.5132(19) . ?
C25 H25 0.949(17) . ?
C26 C27 1.533(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.399(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(2) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.3461(18) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C35 C38 1.525(2) . ?
C35 C36 1.5315(19) . ?
C35 C37 1.533(2) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
B2 C69 1.6454(19) . ?
B2 C63 1.6470(19) . ?
B2 C75 1.649(2) . ?
B2 C81 1.6557(19) . ?
C63 C64 1.404(2) . ?
C63 C68 1.4055(18) . ?
C64 C65 1.3987(19) . ?
C64 H64 0.9500 . ?
C65 C66 1.388(2) . ?
C65 H65 0.9500 . ?
C66 C67 1.386(2) . ?
C66 H66 0.9500 . ?
C67 C68 1.3967(18) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.4035(17) . ?
C69 C74 1.4077(18) . ?
C70 C71 1.3994(18) . ?
C70 H70 0.9500 . ?
C71 C72 1.390(2) . ?
C71 H71 0.9500 . ?
C72 C73 1.390(2) . ?
C72 H72 0.9500 . ?
C73 C74 1.3926(19) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C76 1.4042(19) . ?
C75 C80 1.4073(18) . ?
C76 C77 1.396(2) . ?
C76 H76 0.9500 . ?
C77 C78 1.385(2) . ?
C77 H77 0.9500 . ?
C78 C79 1.386(2) . ?
C78 H78 0.9500 . ?
C79 C80 1.392(2) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.4065(18) . ?
C81 C86 1.4082(18) . ?
C82 C83 1.3992(18) . ?
C82 H82 0.9500 . ?
C83 C84 1.383(2) . ?
C83 H83 0.9500 . ?
C84 C85 1.391(2) . ?
C84 H84 0.9500 . ?
C85 C86 1.3961(19) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
Cl1 C87 1.7620(19) . ?
C87 Cl2 1.7623(19) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
Cl1A C87A 1.7622(17) . ?
C87A Cl2A 1.762(2) . ?
C87A H87C 0.9900 . ?
C87A H87D 0.9900 . ?
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
C15 Rh1 N1 C9 -133.34(13) . . . . ?
C1 Rh1 N1 C9 135.34(13) . . . . ?
C5 Rh1 N1 C9 27.77(13) . . . . ?
C6 Rh1 N1 C9 64.13(13) . . . . ?
C15 Rh1 N1 N2 43.40(9) . . . . ?
C1 Rh1 N1 N2 -47.92(14) . . . . ?
C5 Rh1 N1 N2 -155.48(9) . . . . ?
C6 Rh1 N1 N2 -119.13(9) . . . . ?
C9 N1 N2 C11 0.35(14) . . . . ?
Rh1 N1 N2 C11 -177.31(8) . . . . ?
C9 N1 N2 C12 179.91(11) . . . . ?
Rh1 N1 N2 C12 2.25(14) . . . . ?
C15 Rh1 C1 C2 100.17(9) . . . . ?
N1 Rh1 C1 C2 -172.01(8) . . . . ?
C5 Rh1 C1 C2 -65.82(9) . . . . ?
C6 Rh1 C1 C2 -98.55(9) . . . . ?
C15 Rh1 C1 C8 -137.24(10) . . . . ?
N1 Rh1 C1 C8 -49.42(15) . . . . ?
C2 Rh1 C1 C8 122.59(14) . . . . ?
C5 Rh1 C1 C8 56.77(11) . . . . ?
C6 Rh1 C1 C8 24.04(10) . . . . ?
C8 C1 C2 C3 2.8(2) . . . . ?
Rh1 C1 C2 C3 104.22(14) . . . . ?
C8 C1 C2 Rh1 -101.41(14) . . . . ?
C15 Rh1 C2 C1 -85.49(9) . . . . ?
C5 Rh1 C2 C1 113.80(9) . . . . ?
C6 Rh1 C2 C1 77.67(9) . . . . ?
C15 Rh1 C2 C3 153.51(10) . . . . ?
C1 Rh1 C2 C3 -121.00(14) . . . . ?
C5 Rh1 C2 C3 -7.21(10) . . . . ?
C6 Rh1 C2 C3 -43.33(10) . . . . ?
C1 C2 C3 C4 -92.52(17) . . . . ?
Rh1 C2 C3 C4 -11.58(15) . . . . ?
C2 C3 C4 C5 33.60(17) . . . . ?
C3 C4 C5 C6 43.9(2) . . . . ?
C3 C4 C5 Rh1 -38.41(14) . . . . ?
C15 Rh1 C5 C6 163.60(14) . . . . ?
N1 Rh1 C5 C6 84.47(9) . . . . ?
C1 Rh1 C5 C6 -63.70(9) . . . . ?
C2 Rh1 C5 C6 -98.31(9) . . . . ?
C15 Rh1 C5 C4 -73.55(19) . . . . ?
N1 Rh1 C5 C4 -152.68(9) . . . . ?
C1 Rh1 C5 C4 59.15(10) . . . . ?
C2 Rh1 C5 C4 24.55(10) . . . . ?
C6 Rh1 C5 C4 122.85(14) . . . . ?
C4 C5 C6 C7 2.3(2) . . . . ?
Rh1 C5 C6 C7 103.22(13) . . . . ?
C4 C5 C6 Rh1 -100.93(14) . . . . ?
C15 Rh1 C6 C5 -163.38(14) . . . . ?
N1 Rh1 C6 C5 -95.97(9) . . . . ?
C1 Rh1 C6 C5 115.78(9) . . . . ?
C2 Rh1 C6 C5 78.25(9) . . . . ?
C15 Rh1 C6 C7 76.04(19) . . . . ?
N1 Rh1 C6 C7 143.45(10) . . . . ?
C1 Rh1 C6 C7 -4.80(10) . . . . ?
C2 Rh1 C6 C7 -42.33(11) . . . . ?
C5 Rh1 C6 C7 -120.58(14) . . . . ?
C5 C6 C7 C8 -95.69(17) . . . . ?
Rh1 C6 C7 C8 -15.37(15) . . . . ?
C2 C1 C8 C7 40.8(2) . . . . ?
Rh1 C1 C8 C7 -40.67(15) . . . . ?
C6 C7 C8 C1 37.01(17) . . . . ?
N2 N1 C9 C10 -0.53(14) . . . . ?
Rh1 N1 C9 C10 176.50(9) . . . . ?
N1 C9 C10 C11 0.52(15) . . . . ?
N1 N2 C11 C10 -0.03(15) . . . . ?
C12 N2 C11 C10 -179.53(12) . . . . ?
C9 C10 C11 N2 -0.28(15) . . . . ?
C15 N3 C12 N2 60.83(15) . . . . ?
C13 N3 C12 N2 -104.55(14) . . . . ?
C11 N2 C12 N3 116.75(14) . . . . ?
N1 N2 C12 N3 -62.72(14) . . . . ?
C15 N3 C13 C14 1.59(15) . . . . ?
C12 N3 C13 C14 168.10(12) . . . . ?
N3 C13 C14 N4 -1.69(15) . . . . ?
C15 N4 C14 C13 1.32(15) . . . . ?
C16 N4 C14 C13 179.65(12) . . . . ?
C13 N3 C15 N4 -0.77(14) . . . . ?
C12 N3 C15 N4 -167.79(11) . . . . ?
C13 N3 C15 Rh1 169.64(9) . . . . ?
C12 N3 C15 Rh1 2.62(15) . . . . ?
C14 N4 C15 N3 -0.33(14) . . . . ?
C16 N4 C15 N3 -178.57(11) . . . . ?
C14 N4 C15 Rh1 -167.06(11) . . . . ?
C16 N4 C15 Rh1 14.7(2) . . . . ?
N1 Rh1 C15 N3 -44.97(9) . . . . ?
C1 Rh1 C15 N3 101.58(10) . . . . ?
C2 Rh1 C15 N3 139.66(10) . . . . ?
C5 Rh1 C15 N3 -125.52(15) . . . . ?
C6 Rh1 C15 N3 23.2(2) . . . . ?
N1 Rh1 C15 N4 120.62(14) . . . . ?
C1 Rh1 C15 N4 -92.84(15) . . . . ?
C2 Rh1 C15 N4 -54.76(15) . . . . ?
C5 Rh1 C15 N4 40.1(2) . . . . ?
C6 Rh1 C15 N4 -171.25(14) . . . . ?
C15 N4 C16 C18 81.14(15) . . . . ?
C14 N4 C16 C18 -96.91(14) . . . . ?
C15 N4 C16 C19 -42.73(17) . . . . ?
C14 N4 C16 C19 139.22(12) . . . . ?
C15 N4 C16 C17 -160.37(13) . . . . ?
C14 N4 C16 C17 21.58(17) . . . . ?
C45 B1 C39 C44 119.43(13) . . . . ?
C57 B1 C39 C44 -0.21(17) . . . . ?
C51 B1 C39 C44 -119.12(13) . . . . ?
C45 B1 C39 C40 -58.41(15) . . . . ?
C57 B1 C39 C40 -178.05(11) . . . . ?
C51 B1 C39 C40 63.05(15) . . . . ?
C44 C39 C40 C41 3.81(19) . . . . ?
B1 C39 C40 C41 -178.17(12) . . . . ?
C39 C40 C41 C42 -3.3(2) . . . . ?
C40 C41 C42 C43 0.0(2) . . . . ?
C41 C42 C43 C44 2.5(2) . . . . ?
C42 C43 C44 C39 -1.9(2) . . . . ?
C40 C39 C44 C43 -1.21(19) . . . . ?
B1 C39 C44 C43 -179.17(12) . . . . ?
C57 B1 C45 C46 98.65(14) . . . . ?
C39 B1 C45 C46 -21.75(17) . . . . ?
C51 B1 C45 C46 -144.77(12) . . . . ?
C57 B1 C45 C50 -76.52(15) . . . . ?
C39 B1 C45 C50 163.07(12) . . . . ?
C51 B1 C45 C50 40.06(16) . . . . ?
C50 C45 C46 C47 0.4(2) . . . . ?
B1 C45 C46 C47 -175.07(13) . . . . ?
C45 C46 C47 C48 0.5(2) . . . . ?
C46 C47 C48 C49 -0.6(2) . . . . ?
C47 C48 C49 C50 0.0(2) . . . . ?
C48 C49 C50 C45 0.9(2) . . . . ?
C46 C45 C50 C49 -1.1(2) . . . . ?
B1 C45 C50 C49 174.44(13) . . . . ?
C45 B1 C51 C52 90.82(14) . . . . ?
C57 B1 C51 C52 -151.07(12) . . . . ?
C39 B1 C51 C52 -30.03(17) . . . . ?
C45 B1 C51 C56 -86.82(14) . . . . ?
C57 B1 C51 C56 31.29(15) . . . . ?
C39 B1 C51 C56 152.33(11) . . . . ?
C56 C51 C52 C53 0.12(19) . . . . ?
B1 C51 C52 C53 -177.64(13) . . . . ?
C51 C52 C53 C54 0.6(2) . . . . ?
C52 C53 C54 C55 -0.5(2) . . . . ?
C53 C54 C55 C56 -0.4(2) . . . . ?
C54 C55 C56 C51 1.1(2) . . . . ?
C52 C51 C56 C55 -1.00(19) . . . . ?
B1 C51 C56 C55 176.89(12) . . . . ?
C45 B1 C57 C58 -1.25(17) . . . . ?
C39 B1 C57 C58 118.07(13) . . . . ?
C51 B1 C57 C58 -119.71(13) . . . . ?
C45 B1 C57 C62 177.16(12) . . . . ?
C39 B1 C57 C62 -63.53(15) . . . . ?
C51 B1 C57 C62 58.69(14) . . . . ?
C62 C57 C58 C59 0.44(19) . . . . ?
B1 C57 C58 C59 178.93(12) . . . . ?
C57 C58 C59 C60 0.0(2) . . . . ?
C58 C59 C60 C61 -0.4(2) . . . . ?
C59 C60 C61 C62 0.4(2) . . . . ?
C60 C61 C62 C57 0.0(2) . . . . ?
C58 C57 C62 C61 -0.4(2) . . . . ?
B1 C57 C62 C61 -178.96(12) . . . . ?
C34 Rh2 N5 C28 -137.43(13) . . . . ?
C20 Rh2 N5 C28 133.41(13) . . . . ?
C24 Rh2 N5 C28 26.65(13) . . . . ?
C25 Rh2 N5 C28 63.67(13) . . . . ?
C34 Rh2 N5 N6 45.64(9) . . . . ?
C20 Rh2 N5 N6 -43.52(14) . . . . ?
C24 Rh2 N5 N6 -150.28(9) . . . . ?
C25 Rh2 N5 N6 -113.26(9) . . . . ?
C28 N5 N6 C30 -0.38(13) . . . . ?
Rh2 N5 N6 C30 177.47(8) . . . . ?
C28 N5 N6 C31 -178.49(10) . . . . ?
Rh2 N5 N6 C31 -0.65(13) . . . . ?
C34 Rh2 C20 C21 103.64(9) . . . . ?
N5 Rh2 C20 C21 -169.99(9) . . . . ?
C24 Rh2 C20 C21 -65.05(9) . . . . ?
C25 Rh2 C20 C21 -98.39(9) . . . . ?
C34 Rh2 C20 C27 -134.09(11) . . . . ?
N5 Rh2 C20 C27 -47.72(16) . . . . ?
C24 Rh2 C20 C27 57.22(11) . . . . ?
C21 Rh2 C20 C27 122.27(15) . . . . ?
C25 Rh2 C20 C27 23.88(11) . . . . ?
C27 C20 C21 C22 2.7(2) . . . . ?
Rh2 C20 C21 C22 103.73(14) . . . . ?
C27 C20 C21 Rh2 -101.06(15) . . . . ?
C34 Rh2 C21 C20 -81.90(9) . . . . ?
C24 Rh2 C21 C20 114.66(9) . . . . ?
C25 Rh2 C21 C20 78.02(9) . . . . ?
C34 Rh2 C21 C22 156.80(10) . . . . ?
C20 Rh2 C21 C22 -121.30(14) . . . . ?
C24 Rh2 C21 C22 -6.64(10) . . . . ?
C25 Rh2 C21 C22 -43.28(10) . . . . ?
C20 C21 C22 C23 -93.14(17) . . . . ?
Rh2 C21 C22 C23 -12.38(15) . . . . ?
C21 C22 C23 C24 34.00(16) . . . . ?
C22 C23 C24 C25 43.55(19) . . . . ?
C22 C23 C24 Rh2 -38.58(13) . . . . ?
C34 Rh2 C24 C25 158.92(16) . . . . ?
N5 Rh2 C24 C25 86.27(8) . . . . ?
C20 Rh2 C24 C25 -64.23(9) . . . . ?
C21 Rh2 C24 C25 -98.46(9) . . . . ?
C34 Rh2 C24 C23 -78.3(2) . . . . ?
N5 Rh2 C24 C23 -150.94(9) . . . . ?
C20 Rh2 C24 C23 58.56(10) . . . . ?
C21 Rh2 C24 C23 24.33(9) . . . . ?
C25 Rh2 C24 C23 122.79(13) . . . . ?
C23 C24 C25 C26 2.3(2) . . . . ?
Rh2 C24 C25 C26 103.64(14) . . . . ?
C23 C24 C25 Rh2 -101.32(13) . . . . ?
C34 Rh2 C25 C24 -164.28(12) . . . . ?
N5 Rh2 C25 C24 -93.48(8) . . . . ?
C20 Rh2 C25 C24 115.45(9) . . . . ?
C21 Rh2 C25 C24 78.07(9) . . . . ?
C34 Rh2 C25 C26 75.12(18) . . . . ?
N5 Rh2 C25 C26 145.92(11) . . . . ?
C20 Rh2 C25 C26 -5.15(11) . . . . ?
C24 Rh2 C25 C26 -120.60(14) . . . . ?
C21 Rh2 C25 C26 -42.53(11) . . . . ?
C24 C25 C26 C27 -95.24(17) . . . . ?
Rh2 C25 C26 C27 -14.75(16) . . . . ?
C21 C20 C27 C26 41.4(2) . . . . ?
Rh2 C20 C27 C26 -39.91(16) . . . . ?
C25 C26 C27 C20 36.21(19) . . . . ?
N6 N5 C28 C29 0.35(14) . . . . ?
Rh2 N5 C28 C29 -176.83(9) . . . . ?
N5 C28 C29 C30 -0.20(15) . . . . ?
N5 N6 C30 C29 0.26(14) . . . . ?
C31 N6 C30 C29 178.13(12) . . . . ?
C28 C29 C30 N6 -0.04(14) . . . . ?
C30 N6 C31 N7 121.72(13) . . . . ?
N5 N6 C31 N7 -60.54(14) . . . . ?
C34 N7 C31 N6 60.87(15) . . . . ?
C32 N7 C31 N6 -105.37(14) . . . . ?
C34 N7 C32 C33 1.41(15) . . . . ?
C31 N7 C32 C33 168.78(12) . . . . ?
N7 C32 C33 N8 -1.36(15) . . . . ?
C34 N8 C33 C32 0.91(15) . . . . ?
C35 N8 C33 C32 -179.46(12) . . . . ?
C33 N8 C34 N7 -0.05(14) . . . . ?
C35 N8 C34 N7 -179.66(11) . . . . ?
C33 N8 C34 Rh2 -167.41(11) . . . . ?
C35 N8 C34 Rh2 13.0(2) . . . . ?
C32 N7 C34 N8 -0.84(14) . . . . ?
C31 N7 C34 N8 -168.66(11) . . . . ?
C32 N7 C34 Rh2 170.17(9) . . . . ?
C31 N7 C34 Rh2 2.34(15) . . . . ?
N5 Rh2 C34 N8 120.96(14) . . . . ?
C20 Rh2 C34 N8 -89.77(15) . . . . ?
C24 Rh2 C34 N8 47.4(3) . . . . ?
C21 Rh2 C34 N8 -52.24(15) . . . . ?
C25 Rh2 C34 N8 -167.47(13) . . . . ?
N5 Rh2 C34 N7 -45.41(9) . . . . ?
C20 Rh2 C34 N7 103.86(10) . . . . ?
C24 Rh2 C34 N7 -118.97(17) . . . . ?
C21 Rh2 C34 N7 141.39(9) . . . . ?
C25 Rh2 C34 N7 26.16(19) . . . . ?
C34 N8 C35 C38 -43.30(16) . . . . ?
C33 N8 C35 C38 137.14(12) . . . . ?
C34 N8 C35 C36 -160.83(13) . . . . ?
C33 N8 C35 C36 19.61(17) . . . . ?
C34 N8 C35 C37 80.72(15) . . . . ?
C33 N8 C35 C37 -98.84(14) . . . . ?
C69 B2 C63 C64 -87.35(14) . . . . ?
C75 B2 C63 C64 153.17(12) . . . . ?
C81 B2 C63 C64 32.11(16) . . . . ?
C69 B2 C63 C68 90.77(14) . . . . ?
C75 B2 C63 C68 -28.71(15) . . . . ?
C81 B2 C63 C68 -149.77(12) . . . . ?
C68 C63 C64 C65 -0.55(19) . . . . ?
B2 C63 C64 C65 177.68(12) . . . . ?
C63 C64 C65 C66 0.2(2) . . . . ?
C64 C65 C66 C67 0.1(2) . . . . ?
C65 C66 C67 C68 0.0(2) . . . . ?
C66 C67 C68 C63 -0.4(2) . . . . ?
C64 C63 C68 C67 0.69(19) . . . . ?
B2 C63 C68 C67 -177.59(12) . . . . ?
C63 B2 C69 C70 11.82(17) . . . . ?
C75 B2 C69 C70 128.98(12) . . . . ?
C81 B2 C69 C70 -108.44(13) . . . . ?
C63 B2 C69 C74 -170.44(11) . . . . ?
C75 B2 C69 C74 -53.28(15) . . . . ?
C81 B2 C69 C74 69.30(15) . . . . ?
C74 C69 C70 C71 -1.44(19) . . . . ?
B2 C69 C70 C71 176.42(12) . . . . ?
C69 C70 C71 C72 0.5(2) . . . . ?
C70 C71 C72 C73 0.6(2) . . . . ?
C71 C72 C73 C74 -0.7(2) . . . . ?
C72 C73 C74 C69 -0.4(2) . . . . ?
C70 C69 C74 C73 1.38(19) . . . . ?
B2 C69 C74 C73 -176.54(12) . . . . ?
C69 B2 C75 C76 -25.22(16) . . . . ?
C63 B2 C75 C76 94.15(14) . . . . ?
C81 B2 C75 C76 -145.96(12) . . . . ?
C69 B2 C75 C80 164.44(11) . . . . ?
C63 B2 C75 C80 -76.20(14) . . . . ?
C81 B2 C75 C80 43.70(16) . . . . ?
C80 C75 C76 C77 1.41(19) . . . . ?
B2 C75 C76 C77 -169.60(13) . . . . ?
C75 C76 C77 C78 -1.1(2) . . . . ?
C76 C77 C78 C79 0.2(2) . . . . ?
C77 C78 C79 C80 0.4(2) . . . . ?
C78 C79 C80 C75 0.0(2) . . . . ?
C76 C75 C80 C79 -0.8(2) . . . . ?
B2 C75 C80 C79 170.17(13) . . . . ?
C69 B2 C81 C82 -14.46(17) . . . . ?
C63 B2 C81 C82 -134.86(12) . . . . ?
C75 B2 C81 C82 107.25(14) . . . . ?
C69 B2 C81 C86 166.60(12) . . . . ?
C63 B2 C81 C86 46.21(16) . . . . ?
C75 B2 C81 C86 -71.68(15) . . . . ?
C86 C81 C82 C83 0.5(2) . . . . ?
B2 C81 C82 C83 -178.53(12) . . . . ?
C81 C82 C83 C84 1.5(2) . . . . ?
C82 C83 C84 C85 -1.5(2) . . . . ?
C83 C84 C85 C86 -0.3(2) . . . . ?
C84 C85 C86 C81 2.5(2) . . . . ?
C82 C81 C86 C85 -2.4(2) . . . . ?
B2 C81 C86 C85 176.59(13) . . . . ?
