#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015414.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_7015414
loop_
_publ_author_name
'Owen, Gareth R.'
'Tsoureas, Nikolaos'
'Hope, Rebecca F.'
'Kuo, Yu-Ying'
'Haddow, Mairi F.'
_publ_section_title
;
 Synthesis and characterisation of group nine transition metal
 complexes containing new mesityl and naphthyl based azaindole
 scorpionate ligands.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5906
_journal_page_last               5915
_journal_paper_doi               10.1039/c0dt01576h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C31 H26 B N4 Rh'
_chemical_formula_sum            'C31 H26 B N4 Rh'
_chemical_formula_weight         568.28
_chemical_name_common            Complex_9
_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                98.628(2)
_cell_angle_beta                 92.235(2)
_cell_angle_gamma                101.699(2)
_cell_formula_units_Z            6
_cell_length_a                   9.1069(3)
_cell_length_b                   19.9356(8)
_cell_length_c                   21.0333(8)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.29
_cell_volume                     3687.5(2)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker ShelXTL'
_computing_publication_material  'Bruker ShelXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  '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  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            60488
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.630
_refine_diff_density_min         -1.041
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1091
_refine_ls_number_reflns         16964
_refine_ls_number_restraints     326
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+9.2632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                13980
_reflns_number_total             16964
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01576h.txt
_cod_data_source_block           rh19_0m
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015414
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 0.34637(3) 0.220928(14) 0.285848(13) 0.01490(6) Uani 1 1 d . . .
N1 N 0.1299(3) 0.20617(15) 0.14916(14) 0.0153(6) Uani 1 1 d . . .
N2 N 0.1071(3) 0.19042(15) 0.26005(14) 0.0177(6) Uani 1 1 d . . .
N3 N 0.3743(3) 0.16825(14) 0.13058(13) 0.0147(6) Uani 1 1 d . . .
N4 N 0.3734(3) 0.12590(14) 0.23213(14) 0.0151(6) Uani 1 1 d . . .
B1 B 0.3025(4) 0.2323(2) 0.15000(19) 0.0163(8) Uani 1 1 d . . .
H1B H 0.3396 0.2524 0.1956 0.020 Uiso 1 1 calc R . .
C1 C 0.0490(4) 0.18797(18) 0.19982(17) 0.0163(7) Uani 1 1 d . . .
C2 C 0.0261(4) 0.19068(18) 0.09600(17) 0.0184(8) Uani 1 1 d . . .
H2 H 0.0511 0.1965 0.0535 0.022 Uiso 1 1 calc R . .
C3 C -0.1158(4) 0.16610(19) 0.11242(18) 0.0208(8) Uani 1 1 d . . .
H3 H -0.2046 0.1531 0.0843 0.025 Uiso 1 1 calc R . .
C4 C -0.1056(4) 0.16370(17) 0.17893(18) 0.0174(7) Uani 1 1 d . . .
C5 C -0.2047(4) 0.14352(19) 0.22452(19) 0.0235(8) Uani 1 1 d . . .
H5 H -0.3095 0.1281 0.2133 0.028 Uiso 1 1 calc R . .
C6 C -0.1455(4) 0.14671(19) 0.28688(19) 0.0238(8) Uani 1 1 d . . .
H6 H -0.2104 0.1337 0.3192 0.029 Uiso 1 1 calc R . .
C7 C 0.0077(4) 0.1688(2) 0.30231(19) 0.0233(8) Uani 1 1 d . . .
H7 H 0.0448 0.1686 0.3451 0.028 Uiso 1 1 calc R . .
C8 C 0.3910(4) 0.11988(17) 0.16849(16) 0.0150(7) Uani 1 1 d . . .
C9 C 0.4067(4) 0.14179(19) 0.06963(17) 0.0181(7) Uani 1 1 d . . .
H9 H 0.4030 0.1648 0.0334 0.022 Uiso 1 1 calc R . .
C10 C 0.4447(4) 0.07839(19) 0.06733(17) 0.0195(8) Uani 1 1 d . . .
H10 H 0.4728 0.0509 0.0308 0.023 Uiso 1 1 calc R . .
C11 C 0.4333(4) 0.06203(18) 0.13088(17) 0.0168(7) Uani 1 1 d . . .
C12 C 0.4512(4) 0.00682(19) 0.16160(18) 0.0205(8) Uani 1 1 d . . .
H12 H 0.4794 -0.0329 0.1388 0.025 Uiso 1 1 calc R . .
C13 C 0.4267(4) 0.01160(19) 0.22607(19) 0.0217(8) Uani 1 1 d . . .
H13 H 0.4346 -0.0261 0.2479 0.026 Uiso 1 1 calc R . .
C14 C 0.3905(4) 0.07102(18) 0.25986(18) 0.0199(8) Uani 1 1 d . . .
H14 H 0.3771 0.0729 0.3046 0.024 Uiso 1 1 calc R . .
C15 C 0.3504(4) 0.29281(17) 0.10694(16) 0.0146(7) Uani 1 1 d . . .
C16 C 0.2462(4) 0.32666(18) 0.08416(17) 0.0181(7) Uani 1 1 d . . .
H16 H 0.1449 0.3137 0.0947 0.022 Uiso 1 1 calc R . .
C17 C 0.2818(4) 0.37945(19) 0.04611(18) 0.0220(8) Uani 1 1 d . . .
H17 H 0.2053 0.4007 0.0314 0.026 Uiso 1 1 calc R . .
C18 C 0.4254(4) 0.39998(19) 0.03044(18) 0.0228(8) Uani 1 1 d . . .
H18 H 0.4480 0.4342 0.0033 0.027 Uiso 1 1 calc R . .
C19 C 0.5423(4) 0.37063(18) 0.05435(17) 0.0181(7) Uani 1 1 d . . .
C20 C 0.6924(4) 0.3938(2) 0.04093(17) 0.0234(8) Uani 1 1 d . . .
H20 H 0.7157 0.4283 0.0142 0.028 Uiso 1 1 calc R . .
C21 C 0.8053(4) 0.3675(2) 0.06577(19) 0.0247(9) Uani 1 1 d . . .
H21 H 0.9061 0.3830 0.0558 0.030 Uiso 1 1 calc R . .
C22 C 0.7711(4) 0.31737(19) 0.10610(18) 0.0219(8) Uani 1 1 d . . .
H22 H 0.8501 0.3001 0.1244 0.026 Uiso 1 1 calc R . .
C23 C 0.6264(4) 0.29285(18) 0.11962(17) 0.0172(7) Uani 1 1 d . . .
H23 H 0.6067 0.2587 0.1469 0.021 Uiso 1 1 calc R . .
C24 C 0.5038(4) 0.31756(17) 0.09352(16) 0.0144(7) Uani 1 1 d . . .
C25 C 0.4001(5) 0.32912(19) 0.32587(18) 0.0246(9) Uani 1 1 d . . .
H25 H 0.3665 0.3657 0.3048 0.029 Uiso 1 1 calc R . .
C26 C 0.3152(4) 0.2927(2) 0.36794(18) 0.0266(9) Uani 1 1 d . . .
H26 H 0.2141 0.3005 0.3798 0.032 Uiso 1 1 calc R . .
C27 C 0.4279(4) 0.2742(2) 0.41540(17) 0.0248(9) Uani 1 1 d . . .
H27 H 0.3904 0.2611 0.4569 0.030 Uiso 1 1 calc R . .
C28 C 0.4805(4) 0.2189(2) 0.36875(17) 0.0222(8) Uani 1 1 d . . .
H28 H 0.4987 0.1747 0.3815 0.027 Uiso 1 1 calc R . .
C29 C 0.5667(4) 0.2534(2) 0.32411(18) 0.0219(8) Uani 1 1 d . . .
H29 H 0.6532 0.2372 0.3036 0.026 Uiso 1 1 calc R . .
C30 C 0.5642(4) 0.33146(19) 0.34606(18) 0.0221(8) Uani 1 1 d . . .
H30 H 0.6421 0.3665 0.3297 0.027 Uiso 1 1 calc R . .
C31 C 0.5593(4) 0.3367(2) 0.41946(18) 0.0256(9) Uani 1 1 d . . .
H31A H 0.6526 0.3294 0.4406 0.031 Uiso 1 1 calc R . .
H31B H 0.5346 0.3806 0.4402 0.031 Uiso 1 1 calc R . .
Rh2 Rh -0.01032(3) 0.867617(14) 0.141765(13) 0.01403(6) Uani 1 1 d . . .
B2 B 0.1205(5) 0.8661(2) 0.26858(19) 0.0195(9) Uani 1 1 d . . .
H2B H 0.0797 0.8874 0.2334 0.023 Uiso 1 1 calc R . .
N5 N 0.2608(3) 0.84147(15) 0.24315(14) 0.0181(6) Uani 1 1 d . . .
N6 N 0.2013(3) 0.83515(14) 0.12893(14) 0.0156(6) Uani 1 1 d . . .
N7 N -0.0009(3) 0.80100(15) 0.27521(14) 0.0193(7) Uani 1 1 d . . .
N8 N -0.1061(3) 0.76997(15) 0.16531(14) 0.0165(6) Uani 1 1 d . . .
C32 C 0.2879(4) 0.82650(17) 0.17928(17) 0.0151(7) Uani 1 1 d . . .
C33 C 0.3708(4) 0.81898(19) 0.27671(19) 0.0241(9) Uani 1 1 d . . .
H33 H 0.3774 0.8212 0.3222 0.029 Uiso 1 1 calc R . .
C34 C 0.4681(4) 0.79340(19) 0.2373(2) 0.0266(9) Uani 1 1 d . . .
H34 H 0.5539 0.7769 0.2499 0.032 Uiso 1 1 calc R . .
C35 C 0.4159(4) 0.79628(18) 0.17316(19) 0.0202(8) Uani 1 1 d . . .
C36 C 0.4555(4) 0.77493(19) 0.1116(2) 0.0238(8) Uani 1 1 d . . .
H36 H 0.5405 0.7545 0.1052 0.029 Uiso 1 1 calc R . .
C37 C 0.3678(4) 0.78427(18) 0.05971(19) 0.0219(8) Uani 1 1 d . . .
H37 H 0.3921 0.7701 0.0169 0.026 Uiso 1 1 calc R . .
C38 C 0.2440(4) 0.81441(18) 0.07027(17) 0.0194(8) Uani 1 1 d . . .
H38 H 0.1865 0.8206 0.0338 0.023 Uiso 1 1 calc R . .
C39 C -0.0925(4) 0.75827(18) 0.22682(17) 0.0183(8) Uani 1 1 d . . .
C40 C -0.0205(5) 0.7690(2) 0.32910(19) 0.0263(9) Uani 1 1 d . . .
H40 H 0.0301 0.7877 0.3702 0.032 Uiso 1 1 calc R . .
C41 C -0.1215(5) 0.7071(2) 0.31586(19) 0.0274(9) Uani 1 1 d . . .
H41 H -0.1524 0.6760 0.3452 0.033 Uiso 1 1 calc R . .
C42 C -0.1716(4) 0.69828(19) 0.24967(19) 0.0210(8) Uani 1 1 d . . .
C43 C -0.2663(4) 0.6480(2) 0.2061(2) 0.0257(9) Uani 1 1 d . . .
H43 H -0.3216 0.6072 0.2193 0.031 Uiso 1 1 calc R . .
C44 C -0.2786(4) 0.65847(19) 0.1426(2) 0.0253(9) Uani 1 1 d . . .
H44 H -0.3424 0.6245 0.1115 0.030 Uiso 1 1 calc R . .
C45 C -0.1977(4) 0.71870(18) 0.12430(19) 0.0200(8) Uani 1 1 d . . .
H45 H -0.2076 0.7240 0.0803 0.024 Uiso 1 1 calc R . .
C46 C 0.1455(5) 0.92442(19) 0.33215(17) 0.0241(9) Uani 1 1 d . . .
C47 C 0.2814(5) 0.9508(2) 0.36644(18) 0.0302(10) Uani 1 1 d . . .
H47 H 0.3653 0.9315 0.3542 0.036 Uiso 1 1 calc R . .
C48 C 0.3012(6) 1.0057(2) 0.4194(2) 0.0406(12) Uani 1 1 d . . .
H48 H 0.3974 1.0223 0.4419 0.049 Uiso 1 1 calc R . .
C49 C 0.1855(7) 1.0345(2) 0.4384(2) 0.0481(14) Uani 1 1 d . . .
H49 H 0.2009 1.0714 0.4738 0.058 Uiso 1 1 calc R . .
C50 C 0.0414(6) 1.0105(2) 0.40606(19) 0.0371(11) Uani 1 1 d . . .
C51 C -0.0843(7) 1.0392(3) 0.4256(2) 0.0517(15) Uani 1 1 d . . .
H51 H -0.0717 1.0748 0.4620 0.062 Uiso 1 1 calc R . .
C52 C -0.2214(7) 1.0164(3) 0.3933(2) 0.0512(14) Uani 1 1 d . . .
H52 H -0.3033 1.0365 0.4070 0.061 Uiso 1 1 calc R . .
C53 C -0.2426(6) 0.9639(2) 0.3400(2) 0.0428(12) Uani 1 1 d . . .
H53 H -0.3387 0.9484 0.3173 0.051 Uiso 1 1 calc R . .
C54 C -0.1248(5) 0.9341(2) 0.3202(2) 0.0352(11) Uani 1 1 d . . .
H54 H -0.1414 0.8983 0.2837 0.042 Uiso 1 1 calc R . .
C55 C 0.0202(5) 0.9553(2) 0.35230(19) 0.0311(10) Uani 1 1 d . . .
C56 C -0.2112(4) 0.90064(18) 0.13838(17) 0.0176(7) Uani 1 1 d . . .
H56 H -0.3000 0.8810 0.1614 0.021 Uiso 1 1 calc R . .
C57 C -0.1831(4) 0.87108(18) 0.07530(17) 0.0179(7) Uani 1 1 d . . .
H57 H -0.2498 0.8284 0.0503 0.022 Uiso 1 1 calc R . .
C58 C -0.1037(4) 0.93173(18) 0.04340(17) 0.0180(7) Uani 1 1 d . . .
H58 H -0.1018 0.9237 -0.0046 0.022 Uiso 1 1 calc R . .
C59 C 0.0481(4) 0.94795(18) 0.08351(17) 0.0197(8) Uani 1 1 d . . .
H59 H 0.1473 0.9585 0.0644 0.024 Uiso 1 1 calc R . .
C60 C 0.0218(4) 0.97797(18) 0.14519(18) 0.0196(8) Uani 1 1 d . . .
H60 H 0.1000 1.0124 0.1745 0.023 Uiso 1 1 calc R . .
C61 C -0.1469(4) 0.97902(18) 0.14392(17) 0.0199(8) Uani 1 1 d . . .
H61 H -0.1809 1.0105 0.1793 0.024 Uiso 1 1 calc R . .
C62 C -0.1766(4) 0.99068(18) 0.07419(18) 0.0208(8) Uani 1 1 d . . .
H62A H -0.2851 0.9828 0.0610 0.025 Uiso 1 1 calc R . .
H62B H -0.1239 1.0369 0.0663 0.025 Uiso 1 1 calc R . .
Rh3 Rh 0.23719(3) 0.532324(14) 0.226004(13) 0.01262(6) Uani 1 1 d . . .
N9 N 0.4680(3) 0.56795(15) 0.36045(14) 0.0187(6) Uani 1 1 d . A .
N10 N 0.4474(3) 0.50882(14) 0.25038(14) 0.0147(6) Uani 1 1 d . A .
N11 N 0.2028(3) 0.52084(18) 0.38187(14) 0.0241(7) Uani 1 1 d . A .
N12 N 0.1270(3) 0.45362(15) 0.27653(14) 0.0181(6) Uani 1 1 d . A .
B3 B 0.3087(5) 0.5852(2) 0.3633(2) 0.0209(9) Uani 1 1 d . . .
H3B H 0.2750 0.5891 0.3185 0.025 Uiso 1 1 calc R A 1
C63 C 0.5196(4) 0.53130(18) 0.30926(17) 0.0166(7) Uani 1 1 d . . .
C64 C 0.5744(4) 0.5764(2) 0.41162(18) 0.0245(9) Uani 1 1 d . . .
H64 H 0.5654 0.5991 0.4539 0.029 Uiso 1 1 calc R A .
C65 C 0.6932(4) 0.5480(2) 0.39369(18) 0.0283(10) Uani 1 1 d . A .
H65 H 0.7798 0.5479 0.4203 0.034 Uiso 1 1 calc R . .
C66 C 0.6630(4) 0.51846(19) 0.32756(18) 0.0215(8) Uani 1 1 d . A .
C67 C 0.7336(4) 0.48218(19) 0.28124(19) 0.0228(8) Uani 1 1 d . . .
H67 H 0.8305 0.4738 0.2907 0.027 Uiso 1 1 calc R A .
C68 C 0.6604(4) 0.45851(18) 0.22097(19) 0.0212(8) Uani 1 1 d . A .
H68 H 0.7061 0.4330 0.1885 0.025 Uiso 1 1 calc R . .
C69 C 0.5193(4) 0.47214(18) 0.20785(17) 0.0177(7) Uani 1 1 d . . .
H69 H 0.4707 0.4544 0.1662 0.021 Uiso 1 1 calc R A .
C70 C 0.1271(4) 0.4633(2) 0.34114(17) 0.0203(8) Uani 1 1 d . . .
C71 C 0.1782(5) 0.5065(3) 0.44359(19) 0.0406(12) Uani 1 1 d . . .
H71 H 0.2203 0.5371 0.4819 0.049 Uiso 1 1 calc R A .
C72 C 0.0867(5) 0.4434(3) 0.4426(2) 0.0469(14) Uani 1 1 d . A .
H72 H 0.0533 0.4231 0.4790 0.056 Uiso 1 1 calc R . .
C73 C 0.0506(4) 0.4138(2) 0.3772(2) 0.0289(10) Uani 1 1 d . A .
C74 C -0.0342(4) 0.3520(2) 0.3438(2) 0.0333(10) Uani 1 1 d . . .
H74 H -0.0890 0.3179 0.3659 0.040 Uiso 1 1 calc R A .
C75 C -0.0363(5) 0.3416(2) 0.2775(2) 0.0289(9) Uani 1 1 d . A .
H75 H -0.0938 0.3000 0.2531 0.035 Uiso 1 1 calc R . .
C76 C 0.0459(4) 0.39223(19) 0.24616(19) 0.0238(8) Uani 1 1 d . . .
H76 H 0.0446 0.3828 0.2005 0.029 Uiso 1 1 calc R A .
C77A C 0.2736(7) 0.6514(3) 0.4106(3) 0.0163(12) Uani 0.669(5) 1 d PU B 1
C78A C 0.1356(8) 0.6489(4) 0.4367(3) 0.0186(14) Uani 0.669(5) 1 d PU B 1
H78A H 0.0640 0.6061 0.4283 0.022 Uiso 0.669(5) 1 calc PR B 1
C79A C 0.0950(8) 0.7052(3) 0.4749(3) 0.0240(13) Uani 0.669(5) 1 d PU B 1
H79A H -0.0014 0.7003 0.4916 0.029 Uiso 0.669(5) 1 calc PR B 1
C80A C 0.1967(8) 0.7680(4) 0.4879(3) 0.0255(14) Uani 0.669(5) 1 d PU B 1
H80A H 0.1733 0.8055 0.5162 0.031 Uiso 0.669(5) 1 calc PR B 1
C81A C 0.3362(13) 0.7766(8) 0.4590(10) 0.020(2) Uani 0.669(5) 1 d PU B 1
C82A C 0.4347(9) 0.8417(4) 0.4681(4) 0.0241(15) Uani 0.669(5) 1 d PU B 1
H82A H 0.4087 0.8797 0.4948 0.029 Uiso 0.669(5) 1 calc PR B 1
C83A C 0.5658(7) 0.8512(3) 0.4395(3) 0.0256(14) Uani 0.669(5) 1 d PU B 1
H83A H 0.6305 0.8959 0.4459 0.031 Uiso 0.669(5) 1 calc PR B 1
C84A C 0.6069(7) 0.7951(3) 0.4002(3) 0.0226(13) Uani 0.669(5) 1 d PU B 1
H84A H 0.6992 0.8021 0.3801 0.027 Uiso 0.669(5) 1 calc PR B 1
C85A C 0.5145(15) 0.7310(5) 0.3912(8) 0.020(2) Uani 0.669(5) 1 d PU B 1
H85A H 0.5439 0.6937 0.3648 0.024 Uiso 0.669(5) 1 calc PR B 1
C86A C 0.3744(6) 0.7184(3) 0.4204(3) 0.0171(12) Uani 0.669(5) 1 d PU B 1
C77B C 0.3599(14) 0.6700(6) 0.4004(5) 0.013(2) Uani 0.331(5) 1 d PU B 2
C78B C 0.501(3) 0.7117(10) 0.3963(15) 0.018(4) Uani 0.331(5) 1 d PU B 2
H78B H 0.5720 0.6916 0.3724 0.022 Uiso 0.331(5) 1 calc PR B 2
C79B C 0.5441(14) 0.7816(6) 0.4254(6) 0.018(2) Uani 0.331(5) 1 d PU B 2
H79B H 0.6422 0.8076 0.4218 0.022 Uiso 0.331(5) 1 calc PR B 2
C80B C 0.4402(18) 0.8120(7) 0.4597(8) 0.022(3) Uani 0.331(5) 1 d PU B 2
H80B H 0.4671 0.8591 0.4803 0.026 Uiso 0.331(5) 1 calc PR B 2
C81B C 0.295(3) 0.7728(16) 0.464(2) 0.016(3) Uani 0.331(5) 1 d PU B 2
C82B C 0.1874(15) 0.8050(7) 0.4978(6) 0.025(3) Uani 0.331(5) 1 d PU B 2
H82B H 0.2176 0.8515 0.5197 0.030 Uiso 0.331(5) 1 calc PR B 2
C83B C 0.0446(14) 0.7708(6) 0.4995(5) 0.025(3) Uani 0.331(5) 1 d PU B 2
H83B H -0.0236 0.7929 0.5234 0.030 Uiso 0.331(5) 1 calc PR B 2
C84B C -0.0057(15) 0.7021(6) 0.4660(6) 0.023(3) Uani 0.331(5) 1 d PU B 2
H84B H -0.1073 0.6784 0.4660 0.028 Uiso 0.331(5) 1 calc PR B 2
C85B C 0.0974(16) 0.6708(8) 0.4335(8) 0.020(3) Uani 0.331(5) 1 d PU B 2
H85B H 0.0632 0.6249 0.4109 0.024 Uiso 0.331(5) 1 calc PR B 2
C86B C 0.2509(12) 0.7024(5) 0.4314(5) 0.014(2) Uani 0.331(5) 1 d PU B 2
C87 C 0.3102(4) 0.61896(18) 0.18099(17) 0.0186(8) Uani 1 1 d . A .
H87 H 0.4098 0.6516 0.1924 0.022 Uiso 1 1 calc R . .
C88 C 0.2888(4) 0.55846(18) 0.13454(16) 0.0169(7) Uani 1 1 d . A .
H88 H 0.3722 0.5437 0.1103 0.020 Uiso 1 1 calc R . .
C89 C 0.1268(4) 0.54679(19) 0.10460(17) 0.0188(8) Uani 1 1 d . . .
H89 H 0.1008 0.5154 0.0622 0.023 Uiso 1 1 calc R A .
C90 C 0.0443(4) 0.52447(19) 0.16260(16) 0.0180(7) Uani 1 1 d . A .
H90 H -0.0452 0.4852 0.1584 0.022 Uiso 1 1 calc R . .
C91 C 0.0620(4) 0.58442(19) 0.20955(17) 0.0186(8) Uani 1 1 d . A .
H91 H -0.0141 0.5924 0.2413 0.022 Uiso 1 1 calc R . .
C92 C 0.1599(4) 0.64282(19) 0.18015(17) 0.0192(8) Uani 1 1 d . . .
H92 H 0.1613 0.6916 0.2005 0.023 Uiso 1 1 calc R A .
C93 C 0.1056(4) 0.62198(19) 0.10832(17) 0.0215(8) Uani 1 1 d . A .
H93A H 0.1708 0.6485 0.0801 0.026 Uiso 1 1 calc R . .
H93B H -0.0005 0.6247 0.0997 0.026 Uiso 1 1 calc R . .
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'
B B 0.0013 0.0007 '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'
Rh Rh -1.1178 0.9187 '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
H1B Rh1 C29 106.6 . . ?
H1B Rh1 C28 146.3 . . ?
C29 Rh1 C28 39.69(14) . . ?
H1B Rh1 N4 83.9 . . ?
C29 Rh1 N4 96.35(14) . . ?
C28 Rh1 N4 97.68(13) . . ?
H1B Rh1 C26 117.8 . . ?
C29 Rh1 C26 80.43(16) . . ?
C28 Rh1 C26 66.04(15) . . ?
N4 Rh1 C26 158.16(13) . . ?
H1B Rh1 C25 86.6 . . ?
C29 Rh1 C25 67.59(15) . . ?
C28 Rh1 C25 79.58(14) . . ?
N4 Rh1 C25 158.15(14) . . ?
C26 Rh1 C25 37.85(15) . . ?
H1B Rh1 N2 80.2 . . ?
C29 Rh1 N2 171.68(14) . . ?
C28 Rh1 N2 133.37(13) . . ?
N4 Rh1 N2 89.07(11) . . ?
C26 Rh1 N2 92.20(13) . . ?
C25 Rh1 N2 108.70(13) . . ?
C1 N1 C2 105.3(3) . . ?
C1 N1 B1 127.1(3) . . ?
C2 N1 B1 127.4(3) . . ?
C1 N2 C7 115.6(3) . . ?
C1 N2 Rh1 122.1(2) . . ?
C7 N2 Rh1 122.2(2) . . ?
C8 N3 C9 106.0(3) . . ?
C8 N3 B1 125.8(3) . . ?
C9 N3 B1 127.1(3) . . ?
C8 N4 C14 115.9(3) . . ?
C8 N4 Rh1 120.9(2) . . ?
C14 N4 Rh1 122.8(2) . . ?
N1 B1 N3 108.2(3) . . ?
N1 B1 C15 113.3(3) . . ?
N3 B1 C15 113.4(3) . . ?
N1 B1 H1B 107.2 . . ?
N3 B1 H1B 107.2 . . ?
C15 B1 H1B 107.2 . . ?
N2 C1 N1 125.3(3) . . ?
N2 C1 C4 124.6(3) . . ?
N1 C1 C4 110.0(3) . . ?
C3 C2 N1 111.7(3) . . ?
C3 C2 H2 124.1 . . ?
N1 C2 H2 124.1 . . ?
C2 C3 C4 106.9(3) . . ?
C2 C3 H3 126.5 . . ?
C4 C3 H3 126.5 . . ?
C5 C4 C3 136.2(3) . . ?
C5 C4 C1 117.8(3) . . ?
C3 C4 C1 106.0(3) . . ?
C6 C5 C4 117.7(3) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C7 C6 C5 120.4(4) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
N2 C7 C6 123.7(4) . . ?
N2 C7 H7 118.1 . . ?
C6 C7 H7 118.1 . . ?
N4 C8 N3 125.5(3) . . ?
N4 C8 C11 124.4(3) . . ?
N3 C8 C11 110.0(3) . . ?
C10 C9 N3 112.2(3) . . ?
C10 C9 H9 123.9 . . ?
N3 C9 H9 123.9 . . ?
C9 C10 C11 106.1(3) . . ?
C9 C10 H10 127.0 . . ?
C11 C10 H10 127.0 . . ?
C12 C11 C10 136.6(3) . . ?
C12 C11 C8 117.7(3) . . ?
C10 C11 C8 105.7(3) . . ?
C13 C12 C11 117.9(3) . . ?
C13 C12 H12 121.1 . . ?
C11 C12 H12 121.1 . . ?
C12 C13 C14 120.9(3) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
N4 C14 C13 123.2(3) . . ?
N4 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
C16 C15 C24 116.1(3) . . ?
C16 C15 B1 121.3(3) . . ?
C24 C15 B1 122.5(3) . . ?
C15 C16 C17 123.5(3) . . ?
C15 C16 H16 118.2 . . ?
C17 C16 H16 118.2 . . ?
C18 C17 C16 120.1(3) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.5(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 121.0(3) . . ?
C20 C19 C24 120.6(3) . . ?
C18 C19 C24 118.4(3) . . ?
C21 C20 C19 121.0(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 119.4(3) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 121.3(4) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C23 C24 121.4(3) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C19 116.2(3) . . ?
C23 C24 C15 122.7(3) . . ?
C19 C24 C15 121.1(3) . . ?
C26 C25 C30 106.0(3) . . ?
C26 C25 Rh1 70.8(2) . . ?
C30 C25 Rh1 95.8(2) . . ?
C26 C25 H25 123.5 . . ?
C30 C25 H25 123.5 . . ?
Rh1 C25 H25 123.5 . . ?
C25 C26 C27 106.4(3) . . ?
C25 C26 Rh1 71.3(2) . . ?
C27 C26 Rh1 97.2(2) . . ?
C25 C26 H26 123.0 . . ?
C27 C26 H26 123.0 . . ?
Rh1 C26 H26 123.0 . . ?
C28 C27 C31 102.2(3) . . ?
C28 C27 C26 97.7(3) . . ?
C31 C27 C26 101.1(3) . . ?
C28 C27 H27 117.5 . . ?
C31 C27 H27 117.5 . . ?
C26 C27 H27 117.5 . . ?
C29 C28 C27 107.2(3) . . ?
C29 C28 Rh1 69.0(2) . . ?
C27 C28 Rh1 99.1(2) . . ?
C29 C28 H28 122.7 . . ?
C27 C28 H28 122.7 . . ?
Rh1 C28 H28 122.7 . . ?
C28 C29 C30 104.0(3) . . ?
C28 C29 Rh1 71.3(2) . . ?
C30 C29 Rh1 97.8(2) . . ?
C28 C29 H29 123.5 . . ?
C30 C29 H29 123.5 . . ?
Rh1 C29 H29 123.5 . . ?
C25 C30 C31 101.2(3) . . ?
C25 C30 C29 98.8(3) . . ?
C31 C30 C29 102.6(3) . . ?
C25 C30 H30 117.1 . . ?
C31 C30 H30 117.1 . . ?
C29 C30 H30 117.1 . . ?
C27 C31 C30 94.1(3) . . ?
C27 C31 H31A 112.9 . . ?
C30 C31 H31A 112.9 . . ?
C27 C31 H31B 112.9 . . ?
C30 C31 H31B 112.9 . . ?
H31A C31 H31B 110.3 . . ?
H2B Rh2 C56 109.4 . . ?
H2B Rh2 C57 149.5 . . ?
C56 Rh2 C57 40.11(14) . . ?
H2B Rh2 N8 83.9 . . ?
C56 Rh2 N8 94.78(13) . . ?
C57 Rh2 N8 96.46(12) . . ?
H2B Rh2 C60 87.5 . . ?
C56 Rh2 C60 67.41(14) . . ?
C57 Rh2 C60 80.09(14) . . ?
N8 Rh2 C60 156.31(13) . . ?
H2B Rh2 C59 117.4 . . ?
C56 Rh2 C59 80.39(14) . . ?
C57 Rh2 C59 66.45(14) . . ?
N8 Rh2 C59 158.64(13) . . ?
C60 Rh2 C59 37.84(14) . . ?
H2B Rh2 N6 79.1 . . ?
C56 Rh2 N6 170.64(12) . . ?
C57 Rh2 N6 131.27(13) . . ?
N8 Rh2 N6 89.82(11) . . ?
C60 Rh2 N6 110.18(12) . . ?
C59 Rh2 N6 92.38(12) . . ?
N5 B2 N7 108.1(3) . . ?
N5 B2 C46 117.4(3) . . ?
N7 B2 C46 112.6(3) . . ?
N5 B2 H2B 106.0 . . ?
N7 B2 H2B 106.0 . . ?
C46 B2 H2B 106.0 . . ?
C32 N5 C33 105.1(3) . . ?
C32 N5 B2 125.4(3) . . ?
C33 N5 B2 128.7(3) . . ?
C38 N6 C32 116.0(3) . . ?
C38 N6 Rh2 121.7(2) . . ?
C32 N6 Rh2 121.8(2) . . ?
C39 N7 C40 106.2(3) . . ?
C39 N7 B2 126.6(3) . . ?
C40 N7 B2 126.5(3) . . ?
C45 N8 C39 115.3(3) . . ?
C45 N8 Rh2 124.1(2) . . ?
C39 N8 Rh2 120.1(2) . . ?
N6 C32 N5 125.5(3) . . ?
N6 C32 C35 124.1(3) . . ?
N5 C32 C35 110.3(3) . . ?
C34 C33 N5 112.5(3) . . ?
C34 C33 H33 123.7 . . ?
N5 C33 H33 123.7 . . ?
C33 C34 C35 106.3(3) . . ?
C33 C34 H34 126.9 . . ?
C35 C34 H34 126.9 . . ?
C36 C35 C32 118.1(3) . . ?
C36 C35 C34 136.1(4) . . ?
C32 C35 C34 105.8(3) . . ?
C37 C36 C35 118.1(4) . . ?
C37 C36 H36 120.9 . . ?
C35 C36 H36 120.9 . . ?
C36 C37 C38 119.9(4) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
N6 C38 C37 123.8(3) . . ?
N6 C38 H38 118.1 . . ?
C37 C38 H38 118.1 . . ?
N8 C39 N7 125.3(3) . . ?
N8 C39 C42 124.4(3) . . ?
N7 C39 C42 110.2(3) . . ?
C41 C40 N7 111.6(4) . . ?
C41 C40 H40 124.2 . . ?
N7 C40 H40 124.2 . . ?
C40 C41 C42 106.7(3) . . ?
C40 C41 H41 126.7 . . ?
C42 C41 H41 126.7 . . ?
C43 C42 C41 136.6(4) . . ?
C43 C42 C39 118.0(3) . . ?
C41 C42 C39 105.3(3) . . ?
C42 C43 C44 118.2(3) . . ?
C42 C43 H43 120.9 . . ?
C44 C43 H43 120.9 . . ?
C43 C44 C45 120.1(4) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
N8 C45 C44 123.9(4) . . ?
N8 C45 H45 118.0 . . ?
C44 C45 H45 118.0 . . ?
C47 C46 C55 117.0(4) . . ?
C47 C46 B2 124.1(4) . . ?
C55 C46 B2 118.7(4) . . ?
C46 C47 C48 122.4(4) . . ?
C46 C47 H47 118.8 . . ?
C48 C47 H47 118.8 . . ?
C49 C48 C47 120.8(5) . . ?
C49 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C48 C49 C50 120.6(4) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 H49 119.7 . . ?
C49 C50 C51 122.0(4) . . ?
C49 C50 C55 119.1(4) . . ?
C51 C50 C55 118.9(5) . . ?
C52 C51 C50 121.3(5) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.3 . . ?
C51 C52 C53 120.3(5) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C54 C53 C52 120.2(5) . . ?
C54 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C53 C54 C55 122.0(4) . . ?
C53 C54 H54 119.0 . . ?
C55 C54 H54 119.0 . . ?
C54 C55 C50 117.3(4) . . ?
C54 C55 C46 122.7(4) . . ?
C50 C55 C46 120.0(4) . . ?
C57 C56 C61 105.5(3) . . ?
C57 C56 Rh2 70.5(2) . . ?
C61 C56 Rh2 98.4(2) . . ?
C57 C56 H56 123.1 . . ?
C61 C56 H56 123.1 . . ?
Rh2 C56 H56 123.1 . . ?
C56 C57 C58 106.3(3) . . ?
C56 C57 Rh2 69.4(2) . . ?
C58 C57 Rh2 99.3(2) . . ?
C56 C57 H57 122.8 . . ?
C58 C57 H57 122.8 . . ?
Rh2 C57 H57 122.8 . . ?
C57 C58 C62 101.3(3) . . ?
C57 C58 C59 98.0(3) . . ?
C62 C58 C59 101.5(3) . . ?
C57 C58 H58 117.6 . . ?
C62 C58 H58 117.6 . . ?
C59 C58 H58 117.6 . . ?
C60 C59 C58 106.3(3) . . ?
C60 C59 Rh2 70.9(2) . . ?
C58 C59 Rh2 96.2(2) . . ?
C60 C59 H59 123.3 . . ?
C58 C59 H59 123.3 . . ?
Rh2 C59 H59 123.3 . . ?
C59 C60 C61 106.5(3) . . ?
C59 C60 Rh2 71.3(2) . . ?
C61 C60 Rh2 95.1(2) . . ?
C59 C60 H60 123.4 . . ?
C61 C60 H60 123.4 . . ?
Rh2 C60 H60 123.4 . . ?
C56 C61 C60 99.0(3) . . ?
C56 C61 C62 101.4(3) . . ?
C60 C61 C62 100.9(3) . . ?
C56 C61 H61 117.4 . . ?
C60 C61 H61 117.4 . . ?
C62 C61 H61 117.4 . . ?
C58 C62 C61 94.8(3) . . ?
C58 C62 H62A 112.8 . . ?
C61 C62 H62A 112.8 . . ?
C58 C62 H62B 112.8 . . ?
C61 C62 H62B 112.8 . . ?
H62A C62 H62B 110.2 . . ?
H3B Rh3 C87 94.1 . . ?
H3B Rh3 C88 132.6 . . ?
C87 Rh3 C88 39.09(14) . . ?
H3B Rh3 C91 88.3 . . ?
C87 Rh3 C91 67.94(14) . . ?
C88 Rh3 C91 80.47(14) . . ?
H3B Rh3 N10 82.0 . . ?
C87 Rh3 N10 99.98(12) . . ?
C88 Rh3 N10 96.78(12) . . ?
C91 Rh3 N10 164.01(13) . . ?
H3B Rh3 C90 125.0 . . ?
C87 Rh3 C90 80.28(14) . . ?
C88 Rh3 C90 66.26(13) . . ?
C91 Rh3 C90 38.76(14) . . ?
N10 Rh3 C90 152.99(13) . . ?
H3B Rh3 N12 81.9 . . ?
C87 Rh3 N12 168.77(13) . . ?
C88 Rh3 N12 145.43(13) . . ?
C91 Rh3 N12 101.33(13) . . ?
N10 Rh3 N12 89.89(11) . . ?
C90 Rh3 N12 93.39(13) . . ?
C63 N9 C64 106.4(3) . . ?
C63 N9 B3 125.9(3) . . ?
C64 N9 B3 126.9(3) . . ?
C69 N10 C63 115.5(3) . . ?
C69 N10 Rh3 122.4(2) . . ?
C63 N10 Rh3 122.1(2) . . ?
C70 N11 C71 105.5(3) . . ?
C70 N11 B3 127.2(3) . . ?
C71 N11 B3 127.0(4) . . ?
C70 N12 C76 115.1(3) . . ?
C70 N12 Rh3 122.1(3) . . ?
C76 N12 Rh3 122.7(2) . . ?
N11 B3 N9 106.5(3) . . ?
N11 B3 C77A 105.4(4) . . ?
N9 B3 C77A 123.1(4) . . ?
N11 B3 C77B 132.3(5) . . ?
N9 B3 C77B 98.7(5) . . ?
N11 B3 H3B 107.0 . . ?
N9 B3 H3B 107.0 . . ?
C77A B3 H3B 107.0 . . ?
C77B B3 H3B 103.3 . . ?
N10 C63 N9 126.2(3) . . ?
N10 C63 C66 124.2(3) . . ?
N9 C63 C66 109.6(3) . . ?
C65 C64 N9 111.5(4) . . ?
C65 C64 H64 124.3 . . ?
N9 C64 H64 124.3 . . ?
C64 C65 C66 106.9(3) . . ?
C64 C65 H65 126.6 . . ?
C66 C65 H65 126.6 . . ?
C67 C66 C65 136.6(4) . . ?
C67 C66 C63 117.7(3) . . ?
C65 C66 C63 105.6(3) . . ?
C68 C67 C66 118.5(3) . . ?
C68 C67 H67 120.7 . . ?
C66 C67 H67 120.7 . . ?
C67 C68 C69 119.8(4) . . ?
C67 C68 H68 120.1 . . ?
C69 C68 H68 120.1 . . ?
N10 C69 C68 124.2(3) . . ?
N10 C69 H69 117.9 . . ?
C68 C69 H69 117.9 . . ?
N12 C70 N11 125.4(3) . . ?
N12 C70 C73 124.6(4) . . ?
N11 C70 C73 110.0(3) . . ?
C72 C71 N11 111.9(4) . . ?
C72 C71 H71 124.1 . . ?
N11 C71 H71 124.1 . . ?
C71 C72 C73 106.8(4) . . ?
C71 C72 H72 126.6 . . ?
C73 C72 H72 126.6 . . ?
C74 C73 C72 136.0(4) . . ?
C74 C73 C70 118.2(4) . . ?
C72 C73 C70 105.8(4) . . ?
C75 C74 C73 117.8(4) . . ?
C75 C74 H74 121.1 . . ?
C73 C74 H74 121.1 . . ?
C74 C75 C76 120.1(4) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
N12 C76 C75 124.1(4) . . ?
N12 C76 H76 117.9 . . ?
C75 C76 H76 117.9 . . ?
C78A C77A C86A 116.1(6) . . ?
C78A C77A B3 121.3(5) . . ?
C86A C77A B3 122.1(5) . . ?
C77A C78A C79A 124.2(6) . . ?
C77A C78A H78A 117.9 . . ?
C79A C78A H78A 117.9 . . ?
C80A C79A C78A 119.2(6) . . ?
C80A C79A H79A 120.4 . . ?
C78A C79A H79A 120.4 . . ?
C79A C80A C81A 120.2(8) . . ?
C79A C80A H80A 119.9 . . ?
C81A C80A H80A 119.9 . . ?
C82A C81A C80A 120.4(10) . . ?
C82A C81A C86A 120.5(8) . . ?
C80A C81A C86A 119.1(10) . . ?
C83A C82A C81A 121.2(8) . . ?
C83A C82A H82A 119.4 . . ?
C81A C82A H82A 119.4 . . ?
C82A C83A C84A 120.2(6) . . ?
C82A C83A H83A 119.9 . . ?
C84A C83A H83A 119.9 . . ?
C85A C84A C83A 120.0(8) . . ?
C85A C84A H84A 120.0 . . ?
C83A C84A H84A 120.0 . . ?
C84A C85A C86A 121.8(11) . . ?
C84A C85A H85A 119.1 . . ?
C86A C85A H85A 119.1 . . ?
C81A C86A C85A 116.3(7) . . ?
C81A C86A C77A 120.8(6) . . ?
C85A C86A C77A 122.8(7) . . ?
C78B C77B C86B 117.1(14) . . ?
C78B C77B B3 123.1(13) . . ?
C86B C77B B3 119.5(10) . . ?
C77B C78B C79B 124(2) . . ?
C77B C78B H78B 118.0 . . ?
C79B C78B H78B 118.0 . . ?
C80B C79B C78B 118.6(16) . . ?
C80B C79B H79B 120.7 . . ?
C78B C79B H79B 120.7 . . ?
C79B C80B C81B 119.5(16) . . ?
C79B C80B H80B 120.2 . . ?
C81B C80B H80B 120.2 . . ?
C80B C81B C86B 121.1(19) . . ?
C80B C81B C82B 119(2) . . ?
C86B C81B C82B 119.5(17) . . ?
C83B C82B C81B 121.3(16) . . ?
C83B C82B H82B 119.3 . . ?
C81B C82B H82B 119.3 . . ?
C82B C83B C84B 121.0(12) . . ?
C82B C83B H83B 119.5 . . ?
C84B C83B H83B 119.5 . . ?
C85B C84B C83B 117.9(13) . . ?
C85B C84B H84B 121.0 . . ?
C83B C84B H84B 121.0 . . ?
C84B C85B C86B 124.5(13) . . ?
C84B C85B H85B 117.7 . . ?
C86B C85B H85B 117.7 . . ?
C85B C86B C77B 125.2(11) . . ?
C85B C86B C81B 115.6(13) . . ?
C77B C86B C81B 119.1(13) . . ?
C88 C87 C92 105.8(3) . . ?
C88 C87 Rh3 71.09(19) . . ?
C92 C87 Rh3 96.5(2) . . ?
C88 C87 H87 123.3 . . ?
C92 C87 H87 123.3 . . ?
Rh3 C87 H87 123.3 . . ?
C87 C88 C89 106.2(3) . . ?
C87 C88 Rh3 69.82(19) . . ?
C89 C88 Rh3 98.1(2) . . ?
C87 C88 H88 123.1 . . ?
C89 C88 H88 123.1 . . ?
Rh3 C88 H88 123.1 . . ?
C90 C89 C88 98.0(3) . . ?
C90 C89 C93 101.5(3) . . ?
C88 C89 C93 101.5(3) . . ?
C90 C89 H89 117.5 . . ?
C88 C89 H89 117.5 . . ?
C93 C89 H89 117.5 . . ?
C91 C90 C89 106.6(3) . . ?
C91 C90 Rh3 70.17(19) . . ?
C89 C90 Rh3 97.7(2) . . ?
C91 C90 H90 123.0 . . ?
C89 C90 H90 123.0 . . ?
Rh3 C90 H90 123.0 . . ?
C90 C91 C92 105.5(3) . . ?
C90 C91 Rh3 71.1(2) . . ?
C92 C91 Rh3 95.6(2) . . ?
C90 C91 H91 123.6 . . ?
C92 C91 H91 123.6 . . ?
Rh3 C91 H91 123.6 . . ?
C87 C92 C93 101.3(3) . . ?
C87 C92 C91 99.8(3) . . ?
C93 C92 C91 101.4(3) . . ?
C87 C92 H92 117.1 . . ?
C93 C92 H92 117.1 . . ?
C91 C92 H92 117.1 . . ?
C92 C93 C89 94.3(3) . . ?
C92 C93 H93A 112.9 . . ?
C89 C93 H93A 112.9 . . ?
C92 C93 H93B 112.9 . . ?
C89 C93 H93B 112.9 . . ?
H93A C93 H93B 110.3 . . ?
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 H1B 2.0891 . ?
Rh1 C29 2.069(3) . ?
Rh1 C28 2.100(3) . ?
Rh1 N4 2.120(3) . ?
Rh1 C26 2.137(4) . ?
Rh1 C25 2.144(4) . ?
Rh1 N2 2.164(3) . ?
N1 C1 1.370(4) . ?
N1 C2 1.391(4) . ?
N1 B1 1.551(5) . ?
N2 C1 1.344(4) . ?
N2 C7 1.348(5) . ?
N3 C8 1.367(4) . ?
N3 C9 1.377(4) . ?
N3 B1 1.558(5) . ?
N4 C8 1.345(4) . ?
N4 C14 1.347(4) . ?
B1 C15 1.617(5) . ?
B1 H1B 1.0000 . ?
C1 C4 1.422(5) . ?
C2 C3 1.363(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.407(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(5) . ?
C5 C6 1.386(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.385(5) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C11 1.427(5) . ?
C9 C10 1.371(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.425(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(5) . ?
C12 C13 1.375(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(5) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.382(5) . ?
C15 C24 1.438(5) . ?
C16 C17 1.410(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.357(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.424(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.405(5) . ?
C19 C24 1.433(5) . ?
C20 C21 1.366(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.401(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.366(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.431(5) . ?
C23 H23 0.9500 . ?
C25 C26 1.388(6) . ?
C25 C30 1.527(5) . ?
C25 H25 1.0000 . ?
C26 C27 1.539(5) . ?
C26 H26 1.0000 . ?
C27 C28 1.528(5) . ?
C27 C31 1.532(5) . ?
C27 H27 1.0000 . ?
C28 C29 1.416(5) . ?
C28 H28 1.0000 . ?
C29 C30 1.560(5) . ?
C29 H29 1.0000 . ?
C30 C31 1.535(5) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
Rh2 H2B 2.0156 . ?
Rh2 C56 2.068(3) . ?
Rh2 C57 2.083(3) . ?
Rh2 N8 2.105(3) . ?
Rh2 C60 2.149(3) . ?
Rh2 C59 2.155(3) . ?
Rh2 N6 2.168(3) . ?
B2 N5 1.545(5) . ?
B2 N7 1.553(5) . ?
B2 C46 1.610(5) . ?
B2 H2B 1.0000 . ?
N5 C32 1.375(4) . ?
N5 C33 1.388(4) . ?
N6 C38 1.340(4) . ?
N6 C32 1.348(4) . ?
N7 C39 1.357(5) . ?
N7 C40 1.382(4) . ?
N8 C45 1.349(5) . ?
N8 C39 1.354(4) . ?
C32 C35 1.418(5) . ?
C33 C34 1.359(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.426(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.386(5) . ?
C36 C37 1.385(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.391(5) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C42 1.425(5) . ?
C40 C41 1.365(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.422(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.379(5) . ?
C43 C44 1.388(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.390(5) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C47 1.371(6) . ?
C46 C55 1.451(6) . ?
C47 C48 1.418(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.345(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.411(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.428(7) . ?
C50 C55 1.431(5) . ?
C51 C52 1.356(8) . ?
C51 H51 0.9500 . ?
C52 C53 1.392(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.376(6) . ?
C53 H53 0.9500 . ?
C54 C55 1.413(6) . ?
C54 H54 0.9500 . ?
C56 C57 1.423(5) . ?
C56 C61 1.539(5) . ?
C56 H56 1.0000 . ?
C57 C58 1.537(5) . ?
C57 H57 1.0000 . ?
C58 C62 1.537(5) . ?
C58 C59 1.540(5) . ?
C58 H58 1.0000 . ?
C59 C60 1.396(5) . ?
C59 H59 1.0000 . ?
C60 C61 1.540(5) . ?
C60 H60 1.0000 . ?
C61 C62 1.541(5) . ?
C61 H61 1.0000 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
Rh3 H3B 2.0762 . ?
Rh3 C87 2.097(3) . ?
Rh3 C88 2.113(3) . ?
Rh3 C91 2.117(3) . ?
Rh3 N10 2.123(3) . ?
Rh3 C90 2.129(3) . ?
Rh3 N12 2.132(3) . ?
N9 C63 1.362(5) . ?
N9 C64 1.387(4) . ?
N9 B3 1.559(5) . ?
N10 C69 1.344(4) . ?
N10 C63 1.348(4) . ?
N11 C70 1.365(5) . ?
N11 C71 1.388(5) . ?
N11 B3 1.551(5) . ?
N12 C70 1.344(4) . ?
N12 C76 1.347(5) . ?
B3 C77A 1.623(7) . ?
B3 C77B 1.714(13) . ?
B3 H3B 1.0000 . ?
C63 C66 1.430(5) . ?
C64 C65 1.360(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.420(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.383(5) . ?
C67 C68 1.379(5) . ?
C67 H67 0.9500 . ?
C68 C69 1.392(5) . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C70 C73 1.422(5) . ?
C71 C72 1.358(7) . ?
C71 H71 0.9500 . ?
C72 C73 1.411(6) . ?
C72 H72 0.9500 . ?
C73 C74 1.385(6) . ?
C74 C75 1.378(6) . ?
C74 H74 0.9500 . ?
C75 C76 1.394(5) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77A C78A 1.386(9) . ?
C77A C86A 1.439(8) . ?
C78A C79A 1.401(9) . ?
C78A H78A 0.9500 . ?
C79A C80A 1.381(9) . ?
C79A H79A 0.9500 . ?
C80A C81A 1.420(11) . ?
C80A H80A 0.9500 . ?
C81A C82A 1.401(13) . ?
C81A C86A 1.426(14) . ?
C82A C83A 1.348(10) . ?
C82A H82A 0.9500 . ?
C83A C84A 1.411(9) . ?
C83A H83A 0.9500 . ?
C84A C85A 1.363(10) . ?
C84A H84A 0.9500 . ?
C85A C86A 1.430(14) . ?
C85A H85A 0.9500 . ?
C77B C78B 1.39(3) . ?
C77B C86B 1.418(15) . ?
C78B C79B 1.41(2) . ?
C78B H78B 0.9500 . ?
C79B C80B 1.39(2) . ?
C79B H79B 0.9500 . ?
C80B C81B 1.40(2) . ?
C80B H80B 0.9500 . ?
C81B C86B 1.43(3) . ?
C81B C82B 1.44(3) . ?
C82B C83B 1.345(18) . ?
C82B H82B 0.9500 . ?
C83B C84B 1.419(17) . ?
C83B H83B 0.9500 . ?
C84B C85B 1.377(18) . ?
C84B H84B 0.9500 . ?
C85B C86B 1.418(18) . ?
C85B H85B 0.9500 . ?
C87 C88 1.408(5) . ?
C87 C92 1.538(5) . ?
C87 H87 1.0000 . ?
C88 C89 1.540(5) . ?
C88 H88 1.0000 . ?
C89 C90 1.533(5) . ?
C89 C93 1.541(5) . ?
C89 H89 1.0000 . ?
C90 C91 1.409(5) . ?
C90 H90 1.0000 . ?
C91 C92 1.540(5) . ?
C91 H91 1.0000 . ?
C92 C93 1.539(5) . ?
C92 H92 1.0000 . ?
C93 H93A 0.9900 . ?
C93 H93B 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
H1B Rh1 N2 C1 13.1 . . . . ?
C28 Rh1 N2 C1 -170.6(3) . . . . ?
N4 Rh1 N2 C1 -70.9(3) . . . . ?
C26 Rh1 N2 C1 130.9(3) . . . . ?
C25 Rh1 N2 C1 96.1(3) . . . . ?
H1B Rh1 N2 C7 -170.9 . . . . ?
C28 Rh1 N2 C7 5.4(4) . . . . ?
N4 Rh1 N2 C7 105.1(3) . . . . ?
C26 Rh1 N2 C7 -53.1(3) . . . . ?
C25 Rh1 N2 C7 -87.9(3) . . . . ?
H1B Rh1 N4 C8 6.3 . . . . ?
C29 Rh1 N4 C8 -99.8(3) . . . . ?
C28 Rh1 N4 C8 -139.8(3) . . . . ?
C26 Rh1 N4 C8 -179.9(3) . . . . ?
C25 Rh1 N4 C8 -58.6(5) . . . . ?
N2 Rh1 N4 C8 86.6(3) . . . . ?
H1B Rh1 N4 C14 178.8 . . . . ?
C29 Rh1 N4 C14 72.8(3) . . . . ?
C28 Rh1 N4 C14 32.8(3) . . . . ?
C26 Rh1 N4 C14 -7.3(5) . . . . ?
C25 Rh1 N4 C14 113.9(4) . . . . ?
N2 Rh1 N4 C14 -100.9(3) . . . . ?
C1 N1 B1 N3 91.8(4) . . . . ?
C2 N1 B1 N3 -82.2(4) . . . . ?
C1 N1 B1 C15 -141.5(3) . . . . ?
C2 N1 B1 C15 44.4(5) . . . . ?
C8 N3 B1 N1 -73.8(4) . . . . ?
C9 N3 B1 N1 92.8(4) . . . . ?
C8 N3 B1 C15 159.6(3) . . . . ?
C9 N3 B1 C15 -33.8(5) . . . . ?
C7 N2 C1 N1 -178.7(3) . . . . ?
Rh1 N2 C1 N1 -2.4(5) . . . . ?
C7 N2 C1 C4 -0.9(5) . . . . ?
Rh1 N2 C1 C4 175.3(3) . . . . ?
C2 N1 C1 N2 175.8(3) . . . . ?
B1 N1 C1 N2 0.7(6) . . . . ?
C2 N1 C1 C4 -2.2(4) . . . . ?
B1 N1 C1 C4 -177.3(3) . . . . ?
C1 N1 C2 C3 2.2(4) . . . . ?
B1 N1 C2 C3 177.3(3) . . . . ?
N1 C2 C3 C4 -1.3(4) . . . . ?
C2 C3 C4 C5 -179.0(4) . . . . ?
C2 C3 C4 C1 -0.1(4) . . . . ?
N2 C1 C4 C5 2.6(5) . . . . ?
N1 C1 C4 C5 -179.4(3) . . . . ?
N2 C1 C4 C3 -176.6(3) . . . . ?
N1 C1 C4 C3 1.5(4) . . . . ?
C3 C4 C5 C6 177.1(4) . . . . ?
C1 C4 C5 C6 -1.7(5) . . . . ?
C4 C5 C6 C7 -0.6(6) . . . . ?
C1 N2 C7 C6 -1.5(5) . . . . ?
Rh1 N2 C7 C6 -177.8(3) . . . . ?
C5 C6 C7 N2 2.3(6) . . . . ?
C14 N4 C8 N3 178.0(3) . . . . ?
Rh1 N4 C8 N3 -9.0(5) . . . . ?
C14 N4 C8 C11 -3.5(5) . . . . ?
C9 N3 C8 N4 178.4(3) . . . . ?
B1 N3 C8 N4 -12.7(5) . . . . ?
C9 N3 C8 C11 -0.4(4) . . . . ?
B1 N3 C8 C11 168.6(3) . . . . ?
C8 N3 C9 C10 -0.5(4) . . . . ?
B1 N3 C9 C10 -169.3(3) . . . . ?
N3 C9 C10 C11 1.2(4) . . . . ?
C9 C10 C11 C12 177.9(4) . . . . ?
C9 C10 C11 C8 -1.3(4) . . . . ?
N4 C8 C11 C12 2.9(5) . . . . ?
N3 C8 C11 C12 -178.3(3) . . . . ?
N4 C8 C11 C10 -177.7(3) . . . . ?
N3 C8 C11 C10 1.1(4) . . . . ?
C10 C11 C12 C13 -179.1(4) . . . . ?
C8 C11 C12 C13 0.1(5) . . . . ?
C11 C12 C13 C14 -2.2(5) . . . . ?
C8 N4 C14 C13 1.1(5) . . . . ?
Rh1 N4 C14 C13 -171.8(3) . . . . ?
C12 C13 C14 N4 1.7(6) . . . . ?
N1 B1 C15 C16 13.0(5) . . . . ?
N3 B1 C15 C16 136.8(3) . . . . ?
N1 B1 C15 C24 -171.0(3) . . . . ?
N3 B1 C15 C24 -47.1(4) . . . . ?
C24 C15 C16 C17 4.2(5) . . . . ?
B1 C15 C16 C17 -179.6(3) . . . . ?
C15 C16 C17 C18 -0.6(6) . . . . ?
C16 C17 C18 C19 -2.6(6) . . . . ?
C17 C18 C19 C20 -177.0(3) . . . . ?
C17 C18 C19 C24 1.9(5) . . . . ?
C18 C19 C20 C21 177.6(4) . . . . ?
C24 C19 C20 C21 -1.3(5) . . . . ?
C19 C20 C21 C22 -1.0(6) . . . . ?
C20 C21 C22 C23 1.9(6) . . . . ?
C21 C22 C23 C24 -0.4(5) . . . . ?
C22 C23 C24 C19 -1.9(5) . . . . ?
C22 C23 C24 C15 -179.9(3) . . . . ?
C20 C19 C24 C23 2.7(5) . . . . ?
C18 C19 C24 C23 -176.2(3) . . . . ?
C20 C19 C24 C15 -179.2(3) . . . . ?
C18 C19 C24 C15 1.9(5) . . . . ?
C16 C15 C24 C23 173.2(3) . . . . ?
B1 C15 C24 C23 -3.0(5) . . . . ?
C16 C15 C24 C19 -4.7(5) . . . . ?
B1 C15 C24 C19 179.1(3) . . . . ?
H1B Rh1 C25 C26 146.8 . . . . ?
C29 Rh1 C25 C26 -103.7(3) . . . . ?
C28 Rh1 C25 C26 -64.1(2) . . . . ?
N4 Rh1 C25 C26 -148.8(3) . . . . ?
N2 Rh1 C25 C26 68.3(2) . . . . ?
H1B Rh1 C25 C30 -108.3 . . . . ?
C29 Rh1 C25 C30 1.2(2) . . . . ?
C28 Rh1 C25 C30 40.8(2) . . . . ?
N4 Rh1 C25 C30 -43.8(4) . . . . ?
C26 Rh1 C25 C30 105.0(3) . . . . ?
N2 Rh1 C25 C30 173.3(2) . . . . ?
C30 C25 C26 C27 1.5(4) . . . . ?
Rh1 C25 C26 C27 92.1(3) . . . . ?
C30 C25 C26 Rh1 -90.7(3) . . . . ?
H1B Rh1 C26 C25 -38.2 . . . . ?
C29 Rh1 C26 C25 65.6(2) . . . . ?
C28 Rh1 C26 C25 104.4(3) . . . . ?
N4 Rh1 C26 C25 148.8(3) . . . . ?
N2 Rh1 C26 C25 -118.3(2) . . . . ?
H1B Rh1 C26 C27 -143.1 . . . . ?
C29 Rh1 C26 C27 -39.4(2) . . . . ?
C28 Rh1 C26 C27 -0.5(2) . . . . ?
N4 Rh1 C26 C27 43.8(5) . . . . ?
C25 Rh1 C26 C27 -105.0(3) . . . . ?
N2 Rh1 C26 C27 136.8(2) . . . . ?
C25 C26 C27 C28 -71.9(4) . . . . ?
Rh1 C26 C27 C28 0.7(3) . . . . ?
C25 C26 C27 C31 32.2(4) . . . . ?
Rh1 C26 C27 C31 104.8(3) . . . . ?
C31 C27 C28 C29 -33.1(4) . . . . ?
C26 C27 C28 C29 70.0(4) . . . . ?
C31 C27 C28 Rh1 -103.8(3) . . . . ?
C26 C27 C28 Rh1 -0.7(3) . . . . ?
H1B Rh1 C28 C29 0.1 . . . . ?
N4 Rh1 C28 C29 90.7(2) . . . . ?
C26 Rh1 C28 C29 -104.5(3) . . . . ?
C25 Rh1 C28 C29 -67.3(2) . . . . ?
N2 Rh1 C28 C29 -173.3(2) . . . . ?
H1B Rh1 C28 C27 105.2 . . . . ?
C29 Rh1 C28 C27 105.1(3) . . . . ?
N4 Rh1 C28 C27 -164.2(2) . . . . ?
C26 Rh1 C28 C27 0.5(2) . . . . ?
C25 Rh1 C28 C27 37.7(2) . . . . ?
N2 Rh1 C28 C27 -68.2(3) . . . . ?
C27 C28 C29 C30 0.3(4) . . . . ?
Rh1 C28 C29 C30 93.6(2) . . . . ?
C27 C28 C29 Rh1 -93.3(3) . . . . ?
H1B Rh1 C29 C28 -179.9 . . . . ?
N4 Rh1 C29 C28 -94.4(2) . . . . ?
C26 Rh1 C29 C28 63.8(2) . . . . ?
C25 Rh1 C29 C28 101.0(3) . . . . ?
H1B Rh1 C29 C30 77.9 . . . . ?
C28 Rh1 C29 C30 -102.2(3) . . . . ?
N4 Rh1 C29 C30 163.4(2) . . . . ?
C26 Rh1 C29 C30 -38.4(2) . . . . ?
C25 Rh1 C29 C30 -1.2(2) . . . . ?
C26 C25 C30 C31 -34.7(4) . . . . ?
Rh1 C25 C30 C31 -106.4(3) . . . . ?
C26 C25 C30 C29 70.2(3) . . . . ?
Rh1 C25 C30 C29 -1.5(3) . . . . ?
C28 C29 C30 C25 -71.0(3) . . . . ?
Rh1 C29 C30 C25 1.6(3) . . . . ?
C28 C29 C30 C31 32.7(4) . . . . ?
Rh1 C29 C30 C31 105.3(3) . . . . ?
C28 C27 C31 C30 50.1(3) . . . . ?
C26 C27 C31 C30 -50.4(3) . . . . ?
C25 C30 C31 C27 51.6(3) . . . . ?
C29 C30 C31 C27 -50.2(3) . . . . ?
N7 B2 N5 C32 90.2(4) . . . . ?
C46 B2 N5 C32 -141.2(3) . . . . ?
N7 B2 N5 C33 -78.2(4) . . . . ?
C46 B2 N5 C33 50.5(5) . . . . ?
H2B Rh2 N6 C38 -175.4 . . . . ?
C57 Rh2 N6 C38 2.3(3) . . . . ?
N8 Rh2 N6 C38 100.8(3) . . . . ?
C60 Rh2 N6 C38 -92.2(3) . . . . ?
C59 Rh2 N6 C38 -58.0(3) . . . . ?
H2B Rh2 N6 C32 13.0 . . . . ?
C57 Rh2 N6 C32 -169.3(2) . . . . ?
N8 Rh2 N6 C32 -70.9(3) . . . . ?
C60 Rh2 N6 C32 96.2(3) . . . . ?
C59 Rh2 N6 C32 130.4(3) . . . . ?
C46 B2 N7 C39 150.0(3) . . . . ?
N5 B2 N7 C40 90.2(4) . . . . ?
C46 B2 N7 C40 -41.1(5) . . . . ?
H2B Rh2 N8 C45 179.1 . . . . ?
C56 Rh2 N8 C45 70.0(3) . . . . ?
C57 Rh2 N8 C45 29.7(3) . . . . ?
C60 Rh2 N8 C45 109.8(4) . . . . ?
C59 Rh2 N8 C45 -5.8(5) . . . . ?
N6 Rh2 N8 C45 -101.9(3) . . . . ?
H2B Rh2 N8 C39 7.2 . . . . ?
C56 Rh2 N8 C39 -101.9(3) . . . . ?
C57 Rh2 N8 C39 -142.2(3) . . . . ?
C60 Rh2 N8 C39 -62.1(4) . . . . ?
C59 Rh2 N8 C39 -177.6(3) . . . . ?
N6 Rh2 N8 C39 86.3(3) . . . . ?
C38 N6 C32 N5 -177.1(3) . . . . ?
Rh2 N6 C32 N5 -5.0(5) . . . . ?
C38 N6 C32 C35 -1.3(5) . . . . ?
Rh2 N6 C32 C35 170.8(2) . . . . ?
C33 N5 C32 N6 175.1(3) . . . . ?
B2 N5 C32 N6 4.5(5) . . . . ?
C33 N5 C32 C35 -1.3(4) . . . . ?
B2 N5 C32 C35 -171.9(3) . . . . ?
C32 N5 C33 C34 2.4(4) . . . . ?
B2 N5 C33 C34 172.6(3) . . . . ?
N5 C33 C34 C35 -2.6(4) . . . . ?
N6 C32 C35 C36 0.7(5) . . . . ?
N5 C32 C35 C36 177.1(3) . . . . ?
N6 C32 C35 C34 -176.6(3) . . . . ?
N5 C32 C35 C34 -0.2(4) . . . . ?
C33 C34 C35 C36 -174.9(4) . . . . ?
C33 C34 C35 C32 1.7(4) . . . . ?
C32 C35 C36 C37 -0.1(5) . . . . ?
C34 C35 C36 C37 176.2(4) . . . . ?
C35 C36 C37 C38 0.0(5) . . . . ?
C32 N6 C38 C37 1.2(5) . . . . ?
Rh2 N6 C38 C37 -170.9(3) . . . . ?
C36 C37 C38 N6 -0.7(6) . . . . ?
C45 N8 C39 N7 176.5(3) . . . . ?
Rh2 N8 C39 N7 -10.9(5) . . . . ?
C45 N8 C39 C42 -2.6(5) . . . . ?
Rh2 N8 C39 C42 170.0(3) . . . . ?
C40 N7 C39 N8 -179.2(3) . . . . ?
B2 N7 C39 N8 -8.5(6) . . . . ?
C40 N7 C39 C42 0.0(4) . . . . ?
B2 N7 C39 C42 170.7(3) . . . . ?
C39 N7 C40 C41 0.2(4) . . . . ?
B2 N7 C40 C41 -170.5(3) . . . . ?
N7 C40 C41 C42 -0.3(5) . . . . ?
C40 C41 C42 C43 177.3(4) . . . . ?
C40 C41 C42 C39 0.3(4) . . . . ?
N8 C39 C42 C43 1.3(5) . . . . ?
N7 C39 C42 C43 -177.8(3) . . . . ?
N8 C39 C42 C41 179.0(3) . . . . ?
N7 C39 C42 C41 -0.2(4) . . . . ?
C41 C42 C43 C44 -176.5(4) . . . . ?
C39 C42 C43 C44 0.3(5) . . . . ?
C42 C43 C44 C45 -0.5(5) . . . . ?
C39 N8 C45 C44 2.3(5) . . . . ?
Rh2 N8 C45 C44 -169.9(3) . . . . ?
C43 C44 C45 N8 -0.8(6) . . . . ?
N5 B2 C46 C47 -3.2(5) . . . . ?
N7 B2 C46 C47 123.3(4) . . . . ?
N5 B2 C46 C55 171.9(3) . . . . ?
N7 B2 C46 C55 -61.6(4) . . . . ?
C55 C46 C47 C48 0.1(6) . . . . ?
B2 C46 C47 C48 175.3(4) . . . . ?
C46 C47 C48 C49 -0.1(6) . . . . ?
C47 C48 C49 C50 0.4(7) . . . . ?
C48 C49 C50 C51 178.9(4) . . . . ?
C48 C49 C50 C55 -0.7(7) . . . . ?
C49 C50 C51 C52 178.6(5) . . . . ?
C55 C50 C51 C52 -1.8(7) . . . . ?
C50 C51 C52 C53 0.4(7) . . . . ?
C51 C52 C53 C54 0.5(7) . . . . ?
C52 C53 C54 C55 0.0(7) . . . . ?
C53 C54 C55 C50 -1.4(6) . . . . ?
C53 C54 C55 C46 179.8(4) . . . . ?
C49 C50 C55 C54 -178.2(4) . . . . ?
C51 C50 C55 C54 2.2(6) . . . . ?
C49 C50 C55 C46 0.6(6) . . . . ?
C51 C50 C55 C46 -178.9(4) . . . . ?
C47 C46 C55 C54 178.4(4) . . . . ?
B2 C46 C55 C54 2.9(6) . . . . ?
C47 C46 C55 C50 -0.3(5) . . . . ?
B2 C46 C55 C50 -175.9(3) . . . . ?
H2B Rh2 C56 C57 -179.6 . . . . ?
N8 Rh2 C56 C57 -94.4(2) . . . . ?
C60 Rh2 C56 C57 101.8(2) . . . . ?
C59 Rh2 C56 C57 64.7(2) . . . . ?
H2B Rh2 C56 C61 76.9 . . . . ?
C57 Rh2 C56 C61 -103.6(3) . . . . ?
N8 Rh2 C56 C61 162.1(2) . . . . ?
C60 Rh2 C56 C61 -1.8(2) . . . . ?
C59 Rh2 C56 C61 -38.9(2) . . . . ?
C61 C56 C57 C58 -0.4(4) . . . . ?
Rh2 C56 C57 C58 -94.0(2) . . . . ?
C61 C56 C57 Rh2 93.6(2) . . . . ?
H2B Rh2 C57 C56 0.8 . . . . ?
N8 Rh2 C57 C56 89.8(2) . . . . ?
C60 Rh2 C57 C56 -66.6(2) . . . . ?
C59 Rh2 C57 C56 -103.6(2) . . . . ?
N6 Rh2 C57 C56 -174.78(18) . . . . ?
H2B Rh2 C57 C58 104.8 . . . . ?
C56 Rh2 C57 C58 104.0(3) . . . . ?
N8 Rh2 C57 C58 -166.3(2) . . . . ?
C60 Rh2 C57 C58 37.4(2) . . . . ?
C59 Rh2 C57 C58 0.4(2) . . . . ?
N6 Rh2 C57 C58 -70.8(3) . . . . ?
C56 C57 C58 C62 -32.8(3) . . . . ?
Rh2 C57 C58 C62 -104.0(2) . . . . ?
C56 C57 C58 C59 70.6(3) . . . . ?
Rh2 C57 C58 C59 -0.5(3) . . . . ?
C57 C58 C59 C60 -71.4(3) . . . . ?
C62 C58 C59 C60 31.9(3) . . . . ?
C57 C58 C59 Rh2 0.5(3) . . . . ?
C62 C58 C59 Rh2 103.8(2) . . . . ?
H2B Rh2 C59 C60 -41.7 . . . . ?
C56 Rh2 C59 C60 65.4(2) . . . . ?
C57 Rh2 C59 C60 104.8(2) . . . . ?
N8 Rh2 C59 C60 143.8(3) . . . . ?
N6 Rh2 C59 C60 -120.6(2) . . . . ?
H2B Rh2 C59 C58 -146.8 . . . . ?
C56 Rh2 C59 C58 -39.8(2) . . . . ?
C57 Rh2 C59 C58 -0.4(2) . . . . ?
N8 Rh2 C59 C58 38.6(5) . . . . ?
C60 Rh2 C59 C58 -105.2(3) . . . . ?
N6 Rh2 C59 C58 134.2(2) . . . . ?
C58 C59 C60 C61 1.2(4) . . . . ?
Rh2 C59 C60 C61 -89.8(2) . . . . ?
C58 C59 C60 Rh2 91.0(2) . . . . ?
H2B Rh2 C60 C59 143.8 . . . . ?
C56 Rh2 C60 C59 -103.9(2) . . . . ?
C57 Rh2 C60 C59 -64.1(2) . . . . ?
N8 Rh2 C60 C59 -147.6(3) . . . . ?
N6 Rh2 C60 C59 66.4(2) . . . . ?
H2B Rh2 C60 C61 -110.5 . . . . ?
C56 Rh2 C60 C61 1.7(2) . . . . ?
C57 Rh2 C60 C61 41.5(2) . . . . ?
N8 Rh2 C60 C61 -41.9(4) . . . . ?
C59 Rh2 C60 C61 105.7(3) . . . . ?
N6 Rh2 C60 C61 172.03(19) . . . . ?
C57 C56 C61 C60 -69.7(3) . . . . ?
Rh2 C56 C61 C60 2.3(3) . . . . ?
C57 C56 C61 C62 33.5(4) . . . . ?
Rh2 C56 C61 C62 105.5(2) . . . . ?
C59 C60 C61 C56 69.8(3) . . . . ?
Rh2 C60 C61 C56 -2.2(3) . . . . ?
C59 C60 C61 C62 -33.7(3) . . . . ?
Rh2 C60 C61 C62 -105.7(2) . . . . ?
C57 C58 C62 C61 50.8(3) . . . . ?
C59 C58 C62 C61 -49.9(3) . . . . ?
C56 C61 C62 C58 -51.2(3) . . . . ?
C60 C61 C62 C58 50.5(3) . . . . ?
H3B Rh3 N10 C69 -174.8 . . . . ?
C87 Rh3 N10 C69 -82.0(3) . . . . ?
C88 Rh3 N10 C69 -42.6(3) . . . . ?
C91 Rh3 N10 C69 -121.7(5) . . . . ?
C90 Rh3 N10 C69 6.1(4) . . . . ?
N12 Rh3 N10 C69 103.4(3) . . . . ?
H3B Rh3 N10 C63 3.5 . . . . ?
C87 Rh3 N10 C63 96.3(3) . . . . ?
C88 Rh3 N10 C63 135.7(3) . . . . ?
C91 Rh3 N10 C63 56.6(6) . . . . ?
C90 Rh3 N10 C63 -175.6(3) . . . . ?
N12 Rh3 N10 C63 -78.3(3) . . . . ?
H3B Rh3 N12 C70 -4.1 . . . . ?
C87 Rh3 N12 C70 -73.8(8) . . . . ?
C88 Rh3 N12 C70 179.7(3) . . . . ?
C91 Rh3 N12 C70 -90.7(3) . . . . ?
N10 Rh3 N12 C70 77.8(3) . . . . ?
C90 Rh3 N12 C70 -129.0(3) . . . . ?
H3B Rh3 N12 C76 172.3 . . . . ?
C87 Rh3 N12 C76 102.6(7) . . . . ?
C88 Rh3 N12 C76 -3.9(4) . . . . ?
C91 Rh3 N12 C76 85.7(3) . . . . ?
N10 Rh3 N12 C76 -105.8(3) . . . . ?
C90 Rh3 N12 C76 47.4(3) . . . . ?
C70 N11 B3 N9 -86.7(4) . . . . ?
C71 N11 B3 N9 85.7(4) . . . . ?
C70 N11 B3 C77A 141.0(4) . . . . ?
C71 N11 B3 C77A -46.5(5) . . . . ?
C70 N11 B3 C77B 154.4(6) . . . . ?
C71 N11 B3 C77B -33.1(8) . . . . ?
C63 N9 B3 N11 83.6(4) . . . . ?
C64 N9 B3 N11 -85.0(4) . . . . ?
C63 N9 B3 C77A -154.9(4) . . . . ?
C64 N9 B3 C77A 36.6(6) . . . . ?
C63 N9 B3 C77B -137.4(5) . . . . ?
C64 N9 B3 C77B 54.1(5) . . . . ?
C69 N10 C63 N9 -178.5(3) . . . . ?
Rh3 N10 C63 N9 3.1(5) . . . . ?
C69 N10 C63 C66 0.1(5) . . . . ?
Rh3 N10 C63 C66 -178.3(3) . . . . ?
C64 N9 C63 N10 176.7(3) . . . . ?
B3 N9 C63 N10 6.2(5) . . . . ?
C64 N9 C63 C66 -2.1(4) . . . . ?
B3 N9 C63 C66 -172.5(3) . . . . ?
C63 N9 C64 C65 1.8(4) . . . . ?
B3 N9 C64 C65 172.1(3) . . . . ?
N9 C64 C65 C66 -0.8(4) . . . . ?
C64 C65 C66 C67 -179.1(4) . . . . ?
C64 C65 C66 C63 -0.5(4) . . . . ?
N10 C63 C66 C67 1.8(5) . . . . ?
N9 C63 C66 C67 -179.4(3) . . . . ?
N10 C63 C66 C65 -177.2(3) . . . . ?
N9 C63 C66 C65 1.6(4) . . . . ?
C65 C66 C67 C68 176.4(4) . . . . ?
C63 C66 C67 C68 -2.1(5) . . . . ?
C66 C67 C68 C69 0.8(5) . . . . ?
C63 N10 C69 C68 -1.6(5) . . . . ?
Rh3 N10 C69 C68 176.8(3) . . . . ?
C67 C68 C69 N10 1.2(5) . . . . ?
C76 N12 C70 N11 179.0(3) . . . . ?
Rh3 N12 C70 N11 -4.4(5) . . . . ?
C76 N12 C70 C73 0.7(5) . . . . ?
Rh3 N12 C70 C73 177.4(3) . . . . ?
C71 N11 C70 N12 -176.5(3) . . . . ?
B3 N11 C70 N12 -2.7(6) . . . . ?
C71 N11 C70 C73 2.0(4) . . . . ?
B3 N11 C70 C73 175.8(3) . . . . ?
C70 N11 C71 C72 -1.9(5) . . . . ?
B3 N11 C71 C72 -175.7(4) . . . . ?
N11 C71 C72 C73 1.0(5) . . . . ?
C71 C72 C73 C74 179.2(5) . . . . ?
C71 C72 C73 C70 0.3(5) . . . . ?
N12 C70 C73 C74 -2.1(6) . . . . ?
N11 C70 C73 C74 179.4(3) . . . . ?
N12 C70 C73 C72 177.0(4) . . . . ?
N11 C70 C73 C72 -1.5(4) . . . . ?
C72 C73 C74 C75 -177.4(5) . . . . ?
C70 C73 C74 C75 1.4(6) . . . . ?
C73 C74 C75 C76 0.4(6) . . . . ?
C70 N12 C76 C75 1.4(5) . . . . ?
Rh3 N12 C76 C75 -175.2(3) . . . . ?
C74 C75 C76 N12 -2.0(6) . . . . ?
N11 B3 C77A C78A -25.5(6) . . . . ?
N9 B3 C77A C78A -147.5(5) . . . . ?
C77B B3 C77A C78A 175.1(11) . . . . ?
N11 B3 C77A C86A 163.4(4) . . . . ?
N9 B3 C77A C86A 41.3(6) . . . . ?
C77B B3 C77A C86A 3.9(7) . . . . ?
C86A C77A C78A C79A -4.6(9) . . . . ?
B3 C77A C78A C79A -176.3(5) . . . . ?
C77A C78A C79A C80A 0.1(10) . . . . ?
C78A C79A C80A C81A 4.7(15) . . . . ?
C79A C80A C81A C82A 175.1(13) . . . . ?
C79A C80A C81A C86A -5(2) . . . . ?
C80A C81A C82A C83A -178.2(13) . . . . ?
C86A C81A C82A C83A 2(2) . . . . ?
C81A C82A C83A C84A -0.7(15) . . . . ?
C82A C83A C84A C85A -0.2(11) . . . . ?
C83A C84A C85A C86A 0.3(17) . . . . ?
C82A C81A C86A C85A -1(2) . . . . ?
C80A C81A C86A C85A 178.3(15) . . . . ?
C82A C81A C86A C77A -179.7(12) . . . . ?
C80A C81A C86A C77A 0(2) . . . . ?
C84A C85A C86A C81A 0.5(19) . . . . ?
C84A C85A C86A C77A 178.8(9) . . . . ?
C78A C77A C86A C81A 4.5(14) . . . . ?
B3 C77A C86A C81A 176.1(12) . . . . ?
C78A C77A C86A C85A -173.8(9) . . . . ?
B3 C77A C86A C85A -2.1(11) . . . . ?
N11 B3 C77B C78B 147.9(17) . . . . ?
N9 B3 C77B C78B 26.0(18) . . . . ?
C77A B3 C77B C78B 175(2) . . . . ?
N11 B3 C77B C86B -38.8(11) . . . . ?
N9 B3 C77B C86B -160.7(8) . . . . ?
C77A B3 C77B C86B -11.7(6) . . . . ?
C86B C77B C78B C79B 5(3) . . . . ?
B3 C77B C78B C79B 178.9(18) . . . . ?
C77B C78B C79B C80B -1(4) . . . . ?
C78B C79B C80B C81B -1(3) . . . . ?
C79B C80B C81B C86B -2(5) . . . . ?
C79B C80B C81B C82B -178(2) . . . . ?
C80B C81B C82B C83B 176(2) . . . . ?
C86B C81B C82B C83B -1(5) . . . . ?
C81B C82B C83B C84B -2(3) . . . . ?
C82B C83B C84B C85B 2.0(18) . . . . ?
C83B C84B C85B C86B 0(2) . . . . ?
C84B C85B C86B C77B 177.2(12) . . . . ?
C84B C85B C86B C81B -3(3) . . . . ?
C78B C77B C86B C85B 172.1(18) . . . . ?
B3 C77B C86B C85B -1.6(15) . . . . ?
C78B C77B C86B C81B -8(3) . . . . ?
B3 C77B C86B C81B 178(2) . . . . ?
C80B C81B C86B C85B -174(3) . . . . ?
C82B C81B C86B C85B 3(4) . . . . ?
C80B C81B C86B C77B 6(5) . . . . ?
C82B C81B C86B C77B -177(2) . . . . ?
H3B Rh3 C87 C88 171.0 . . . . ?
C91 Rh3 C87 C88 -102.4(2) . . . . ?
N10 Rh3 C87 C88 88.5(2) . . . . ?
C90 Rh3 C87 C88 -64.1(2) . . . . ?
N12 Rh3 C87 C88 -120.4(6) . . . . ?
H3B Rh3 C87 C92 -84.4 . . . . ?
C88 Rh3 C87 C92 104.6(3) . . . . ?
C91 Rh3 C87 C92 2.1(2) . . . . ?
N10 Rh3 C87 C92 -167.0(2) . . . . ?
C90 Rh3 C87 C92 40.5(2) . . . . ?
N12 Rh3 C87 C92 -15.8(8) . . . . ?
C92 C87 C88 C89 1.3(3) . . . . ?
Rh3 C87 C88 C89 92.8(2) . . . . ?
C92 C87 C88 Rh3 -91.6(2) . . . . ?
H3B Rh3 C88 C87 -12.2 . . . . ?
C91 Rh3 C88 C87 66.6(2) . . . . ?
N10 Rh3 C88 C87 -97.5(2) . . . . ?
C90 Rh3 C88 C87 104.4(2) . . . . ?
N12 Rh3 C88 C87 162.8(2) . . . . ?
H3B Rh3 C88 C89 -116.5 . . . . ?
C87 Rh3 C88 C89 -104.3(3) . . . . ?
C91 Rh3 C88 C89 -37.8(2) . . . . ?
N10 Rh3 C88 C89 158.2(2) . . . . ?
C90 Rh3 C88 C89 0.1(2) . . . . ?
N12 Rh3 C88 C89 58.4(3) . . . . ?
C87 C88 C89 C90 -71.3(3) . . . . ?
Rh3 C88 C89 C90 -0.1(3) . . . . ?
C87 C88 C89 C93 32.2(3) . . . . ?
Rh3 C88 C89 C93 103.5(2) . . . . ?
C88 C89 C90 C91 71.6(3) . . . . ?
C93 C89 C90 C91 -31.9(3) . . . . ?
C88 C89 C90 Rh3 0.1(3) . . . . ?
C93 C89 C90 Rh3 -103.4(2) . . . . ?
H3B Rh3 C90 C91 21.5 . . . . ?
C87 Rh3 C90 C91 -66.7(2) . . . . ?
C88 Rh3 C90 C91 -105.0(2) . . . . ?
N10 Rh3 C90 C91 -159.6(2) . . . . ?
N12 Rh3 C90 C91 103.9(2) . . . . ?
H3B Rh3 C90 C89 126.4 . . . . ?
C87 Rh3 C90 C89 38.2(2) . . . . ?
C88 Rh3 C90 C89 -0.1(2) . . . . ?
C91 Rh3 C90 C89 104.9(3) . . . . ?
N10 Rh3 C90 C89 -54.7(4) . . . . ?
N12 Rh3 C90 C89 -151.1(2) . . . . ?
C89 C90 C91 C92 -1.6(4) . . . . ?
Rh3 C90 C91 C92 90.7(2) . . . . ?
C89 C90 C91 Rh3 -92.3(2) . . . . ?
H3B Rh3 C91 C90 -162.6 . . . . ?
C87 Rh3 C91 C90 102.3(2) . . . . ?
C88 Rh3 C91 C90 63.7(2) . . . . ?
N10 Rh3 C91 C90 145.0(4) . . . . ?
N12 Rh3 C91 C90 -81.2(2) . . . . ?
H3B Rh3 C91 C92 93.0 . . . . ?
C87 Rh3 C91 C92 -2.1(2) . . . . ?
C88 Rh3 C91 C92 -40.7(2) . . . . ?
N10 Rh3 C91 C92 40.6(6) . . . . ?
C90 Rh3 C91 C92 -104.4(3) . . . . ?
N12 Rh3 C91 C92 174.4(2) . . . . ?
C88 C87 C92 C93 -34.4(3) . . . . ?
Rh3 C87 C92 C93 -106.5(2) . . . . ?
C88 C87 C92 C91 69.4(3) . . . . ?
Rh3 C87 C92 C91 -2.7(3) . . . . ?
C90 C91 C92 C87 -69.2(3) . . . . ?
Rh3 C91 C92 C87 2.7(3) . . . . ?
C90 C91 C92 C93 34.6(3) . . . . ?
Rh3 C91 C92 C93 106.5(2) . . . . ?
C87 C92 C93 C89 51.3(3) . . . . ?
C91 C92 C93 C89 -51.3(3) . . . . ?
C90 C89 C93 C92 50.2(3) . . . . ?
C88 C89 C93 C92 -50.5(3) . . . . ?
