#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015412.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_7015412
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 H34 B N4 Rh'
_chemical_formula_sum            'C31 H34 B N4 Rh'
_chemical_formula_weight         576.34
_chemical_name_common            Complex_4
_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                113.679(11)
_cell_angle_beta                 102.604(15)
_cell_angle_gamma                97.984(12)
_cell_formula_units_Z            4
_cell_length_a                   11.102(2)
_cell_length_b                   16.512(3)
_cell_length_c                   16.633(2)
_cell_measurement_reflns_used    9998
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.49
_cell_volume                     2636.1(8)
_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 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32343
_diffrn_reflns_theta_full        27.63
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.901
_refine_diff_density_min         -0.987
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         11921
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0306
_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)+(0.0228P)²+2.7396P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0692
_reflns_number_gt                9680
_reflns_number_total             11921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01576h.txt
_cod_data_source_block           rh25
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015412
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 0.392347(16) 0.419881(12) 0.134701(11) 0.01182(5) Uani 1 1 d . . .
N1 N 0.13899(17) 0.34354(13) -0.05187(12) 0.0149(4) Uani 1 1 d . . .
N2 N 0.29472(17) 0.48319(13) 0.06051(12) 0.0134(4) Uani 1 1 d . . .
N3 N 0.10216(17) 0.27638(13) 0.05215(12) 0.0143(4) Uani 1 1 d . . .
N4 N 0.23369(17) 0.41446(13) 0.18496(12) 0.0131(4) Uani 1 1 d . . .
B1 B 0.1801(2) 0.27454(18) -0.01601(17) 0.0147(5) Uani 1 1 d . . .
H1B H 0.2730 0.2982 0.0194 0.018 Uiso 1 1 calc R . .
B2 B 0.4539(2) 0.22501(18) 0.45384(17) 0.0131(5) Uani 1 1 d . . .
H2B H 0.4290 0.1649 0.3977 0.016 Uiso 1 1 calc R . .
C1 C 0.1901(2) 0.43548(16) -0.01309(15) 0.0140(5) Uani 1 1 d . . .
C2 C 0.0300(2) 0.32538(18) -0.12245(15) 0.0193(5) Uani 1 1 d . . .
H2 H -0.0263 0.2664 -0.1604 0.023 Uiso 1 1 calc R . .
C3 C 0.0131(2) 0.40175(18) -0.13094(16) 0.0217(5) Uani 1 1 d . . .
H3 H -0.0532 0.4053 -0.1754 0.026 Uiso 1 1 calc R . .
C4 C 0.1150(2) 0.47597(17) -0.05974(16) 0.0173(5) Uani 1 1 d . . .
C5 C 0.1484(2) 0.56999(18) -0.02625(17) 0.0222(5) Uani 1 1 d . . .
H5 H 0.1004 0.5998 -0.0549 0.027 Uiso 1 1 calc R . .
C6 C 0.2540(2) 0.61898(17) 0.05027(17) 0.0205(5) Uani 1 1 d . . .
H6 H 0.2788 0.6837 0.0754 0.025 Uiso 1 1 calc R . .
C7 C 0.3242(2) 0.57456(16) 0.09072(16) 0.0172(5) Uani 1 1 d . . .
H7 H 0.3970 0.6105 0.1426 0.021 Uiso 1 1 calc R . .
C8 C 0.1249(2) 0.34693(16) 0.13740(15) 0.0133(5) Uani 1 1 d . . .
C9 C -0.0216(2) 0.22605(17) 0.02910(16) 0.0183(5) Uani 1 1 d . . .
H9 H -0.0633 0.1730 -0.0275 0.022 Uiso 1 1 calc R . .
C10 C -0.0763(2) 0.26145(17) 0.09679(16) 0.0187(5) Uani 1 1 d . . .
H10 H -0.1594 0.2376 0.0965 0.022 Uiso 1 1 calc R . .
C11 C 0.0158(2) 0.34149(16) 0.16846(15) 0.0148(5) Uani 1 1 d . . .
C12 C 0.0186(2) 0.41332(17) 0.25022(16) 0.0187(5) Uani 1 1 d . . .
H12 H -0.0536 0.4144 0.2722 0.022 Uiso 1 1 calc R . .
C13 C 0.1286(2) 0.48283(17) 0.29853(16) 0.0190(5) Uani 1 1 d . . .
H13 H 0.1332 0.5324 0.3549 0.023 Uiso 1 1 calc R . .
C14 C 0.2329(2) 0.48075(16) 0.26513(15) 0.0168(5) Uani 1 1 d . . .
H14 H 0.3081 0.5289 0.3009 0.020 Uiso 1 1 calc R . .
C15 C 0.1574(2) 0.17344(16) -0.09808(15) 0.0160(5) Uani 1 1 d . . .
C16 C 0.1620(2) 0.16065(17) -0.18693(16) 0.0193(5) Uani 1 1 d . . .
C17 C 0.1147(2) 0.07402(18) -0.26143(17) 0.0249(6) Uani 1 1 d . . .
H17 H 0.1136 0.0675 -0.3210 0.030 Uiso 1 1 calc R . .
C18 C 0.0691(2) -0.00277(18) -0.25163(18) 0.0274(6) Uani 1 1 d . . .
C19 C 0.0858(2) 0.00770(17) -0.16271(19) 0.0263(6) Uani 1 1 d . . .
H19 H 0.0656 -0.0450 -0.1533 0.032 Uiso 1 1 calc R . .
C20 C 0.1316(2) 0.09388(17) -0.08611(17) 0.0203(5) Uani 1 1 d . . .
C21 C 0.2263(3) 0.23696(19) -0.20387(18) 0.0266(6) Uani 1 1 d . . .
H21A H 0.2721 0.2125 -0.2488 0.040 Uiso 1 1 calc R . .
H21B H 0.2868 0.2846 -0.1459 0.040 Uiso 1 1 calc R . .
H21C H 0.1617 0.2631 -0.2278 0.040 Uiso 1 1 calc R . .
C22 C 0.0062(3) -0.0943(2) -0.3341(2) 0.0419(8) Uani 1 1 d . . .
H22A H -0.0760 -0.0921 -0.3686 0.063 Uiso 1 1 calc R . .
H22B H -0.0077 -0.1416 -0.3133 0.063 Uiso 1 1 calc R . .
H22C H 0.0614 -0.1086 -0.3738 0.063 Uiso 1 1 calc R . .
C23 C 0.1580(3) 0.09518(19) 0.00795(19) 0.0286(6) Uani 1 1 d . . .
H23A H 0.2185 0.1529 0.0542 0.043 Uiso 1 1 calc R . .
H23B H 0.1943 0.0441 0.0068 0.043 Uiso 1 1 calc R . .
H23C H 0.0781 0.0894 0.0236 0.043 Uiso 1 1 calc R . .
C24 C 0.4709(2) 0.34560(16) 0.20075(15) 0.0161(5) Uani 1 1 d . . .
H24 H 0.4086 0.3127 0.2197 0.019 Uiso 1 1 calc R . .
C25 C 0.5187(2) 0.43952(16) 0.26059(15) 0.0151(5) Uani 1 1 d . . .
H25 H 0.4831 0.4608 0.3136 0.018 Uiso 1 1 calc R . .
C26 C 0.6541(2) 0.49349(18) 0.28234(17) 0.0211(5) Uani 1 1 d . . .
H26A H 0.7112 0.4517 0.2744 0.025 Uiso 1 1 calc R . .
H26B H 0.6841 0.5403 0.3475 0.025 Uiso 1 1 calc R . .
C27 C 0.6623(2) 0.54041(18) 0.22020(17) 0.0219(5) Uani 1 1 d . . .
H27A H 0.6491 0.6024 0.2500 0.026 Uiso 1 1 calc R . .
H27B H 0.7488 0.5472 0.2130 0.026 Uiso 1 1 calc R . .
C28 C 0.5649(2) 0.48759(17) 0.12642(16) 0.0176(5) Uani 1 1 d . . .
H28 H 0.5513 0.5240 0.0910 0.021 Uiso 1 1 calc R . .
C29 C 0.5389(2) 0.39316(17) 0.07064(16) 0.0178(5) Uani 1 1 d . . .
H29 H 0.5106 0.3751 0.0031 0.021 Uiso 1 1 calc R . .
C30 C 0.6095(2) 0.32981(18) 0.09563(17) 0.0220(5) Uani 1 1 d . . .
H30A H 0.6970 0.3650 0.1362 0.026 Uiso 1 1 calc R . .
H30B H 0.6162 0.2813 0.0388 0.026 Uiso 1 1 calc R . .
C31 C 0.5424(2) 0.28562(17) 0.14455(17) 0.0208(5) Uani 1 1 d . . .
H31A H 0.4817 0.2269 0.0980 0.025 Uiso 1 1 calc R . .
H31B H 0.6066 0.2720 0.1856 0.025 Uiso 1 1 calc R . .
Rh2 Rh 0.522649(17) 0.076912(12) 0.313879(12) 0.01558(5) Uani 1 1 d . . .
N5 N 0.53375(17) 0.29777(13) 0.43572(12) 0.0128(4) Uani 1 1 d . A .
N6 N 0.63835(17) 0.20179(13) 0.33657(12) 0.0143(4) Uani 1 1 d . A .
N7 N 0.55030(17) 0.21815(13) 0.53353(13) 0.0148(4) Uani 1 1 d . A .
N8 N 0.64594(17) 0.10464(13) 0.44509(13) 0.0152(4) Uani 1 1 d . A .
C32 C 0.6247(2) 0.28400(16) 0.39145(15) 0.0132(4) Uani 1 1 d . . .
C33 C 0.5587(2) 0.39160(16) 0.48648(15) 0.0166(5) Uani 1 1 d . . .
H33 H 0.5104 0.4207 0.5249 0.020 Uiso 1 1 calc R A .
C34 C 0.6604(2) 0.43757(16) 0.47512(15) 0.0165(5) Uani 1 1 d . A .
H34 H 0.6936 0.5019 0.5022 0.020 Uiso 1 1 calc R . .
C35 C 0.7070(2) 0.36926(16) 0.41420(15) 0.0149(5) Uani 1 1 d . A .
C36 C 0.8096(2) 0.36818(17) 0.37911(16) 0.0178(5) Uani 1 1 d . . .
H36 H 0.8674 0.4234 0.3927 0.021 Uiso 1 1 calc R A .
C37 C 0.8249(2) 0.28394(17) 0.32359(16) 0.0199(5) Uani 1 1 d . A .
H37 H 0.8945 0.2809 0.2989 0.024 Uiso 1 1 calc R . .
C38 C 0.7394(2) 0.20409(17) 0.30394(16) 0.0186(5) Uani 1 1 d . . .
H38 H 0.7525 0.1476 0.2652 0.022 Uiso 1 1 calc R A .
C39 C 0.6398(2) 0.16896(16) 0.52503(15) 0.0146(5) Uani 1 1 d . . .
C40 C 0.5838(2) 0.27842(16) 0.62603(16) 0.0184(5) Uani 1 1 d . . .
H40 H 0.5383 0.3220 0.6515 0.022 Uiso 1 1 calc R A .
C41 C 0.6900(2) 0.26784(17) 0.67643(16) 0.0205(5) Uani 1 1 d . A .
H41 H 0.7295 0.3009 0.7411 0.025 Uiso 1 1 calc R . .
C42 C 0.7293(2) 0.19750(16) 0.61277(16) 0.0181(5) Uani 1 1 d . A .
C43 C 0.8306(2) 0.15635(18) 0.61685(17) 0.0223(5) Uani 1 1 d . . .
H43 H 0.8925 0.1727 0.6738 0.027 Uiso 1 1 calc R A .
C44 C 0.8378(2) 0.09113(17) 0.53527(17) 0.0225(5) Uani 1 1 d . A .
H44 H 0.9059 0.0621 0.5356 0.027 Uiso 1 1 calc R . .
C45 C 0.7456(2) 0.06756(17) 0.45231(17) 0.0200(5) Uani 1 1 d . . .
H45 H 0.7538 0.0225 0.3975 0.024 Uiso 1 1 calc R A .
C46 C 0.3254(2) 0.24978(15) 0.47672(15) 0.0142(5) Uani 1 1 d . . .
C47 C 0.2730(2) 0.22252(15) 0.53496(15) 0.0146(5) Uani 1 1 d . . .
C48 C 0.1711(2) 0.25337(16) 0.56166(15) 0.0165(5) Uani 1 1 d . . .
H48 H 0.1400 0.2358 0.6027 0.020 Uiso 1 1 calc R . .
C49 C 0.1132(2) 0.30901(16) 0.53037(15) 0.0162(5) Uani 1 1 d . . .
C50 C 0.1538(2) 0.32599(15) 0.46412(15) 0.0146(5) Uani 1 1 d . . .
H50 H 0.1113 0.3596 0.4377 0.017 Uiso 1 1 calc R . .
C51 C 0.2548(2) 0.29538(15) 0.43496(15) 0.0139(5) Uani 1 1 d . . .
C52 C 0.3146(2) 0.15246(17) 0.56457(17) 0.0213(5) Uani 1 1 d . . .
H52A H 0.3854 0.1835 0.6220 0.032 Uiso 1 1 calc R . .
H52B H 0.3424 0.1089 0.5165 0.032 Uiso 1 1 calc R . .
H52C H 0.2428 0.1197 0.5743 0.032 Uiso 1 1 calc R . .
C53 C 0.0065(2) 0.34445(19) 0.56399(18) 0.0244(6) Uani 1 1 d . . .
H53A H -0.0050 0.3960 0.5505 0.037 Uiso 1 1 calc R . .
H53B H 0.0278 0.3648 0.6306 0.037 Uiso 1 1 calc R . .
H53C H -0.0727 0.2956 0.5327 0.037 Uiso 1 1 calc R . .
C54 C 0.2774(2) 0.30664(17) 0.35272(16) 0.0185(5) Uani 1 1 d . . .
H54A H 0.1972 0.3075 0.3145 0.028 Uiso 1 1 calc R . .
H54B H 0.3084 0.2555 0.3163 0.028 Uiso 1 1 calc R . .
H54C H 0.3411 0.3642 0.3744 0.028 Uiso 1 1 calc R . .
C56A C 0.4919(3) 0.0305(2) 0.16974(17) 0.0339(7) Uani 0.538(14) 1 d P A 1
H56A H 0.5430 0.0781 0.1593 0.041 Uiso 0.538(14) 1 calc PR A 1
C57A C 0.5255(8) -0.0587(5) 0.1245(5) 0.0309(17) Uani 0.538(14) 1 d P A 1
H57A H 0.6183 -0.0479 0.1325 0.037 Uiso 0.538(14) 1 calc PR A 1
H57B H 0.4793 -0.0897 0.0578 0.037 Uiso 0.538(14) 1 calc PR A 1
C58A C 0.4865(4) -0.1194(2) 0.1709(3) 0.0533(10) Uani 0.538(14) 1 d P A 1
H58A H 0.3985 -0.1577 0.1353 0.064 Uiso 0.538(14) 1 calc PR A 1
H58B H 0.5436 -0.1609 0.1675 0.064 Uiso 0.538(14) 1 calc PR A 1
C56B C 0.4919(3) 0.0305(2) 0.16974(17) 0.0339(7) Uani 0.462(14) 1 d P A 2
H56B H 0.5457 0.0670 0.1488 0.041 Uiso 0.462(14) 1 calc PR A 2
C57B C 0.4614(14) -0.0765(7) 0.1186(6) 0.044(3) Uani 0.462(14) 1 d P A 2
H57C H 0.3697 -0.1001 0.0831 0.053 Uiso 0.462(14) 1 calc PR A 2
H57D H 0.5102 -0.0933 0.0738 0.053 Uiso 0.462(14) 1 calc PR A 2
C58B C 0.4865(4) -0.1194(2) 0.1709(3) 0.0533(10) Uani 0.462(14) 1 d P A 2
H58C H 0.5694 -0.1345 0.1693 0.064 Uiso 0.462(14) 1 calc PR A 2
H58D H 0.4203 -0.1777 0.1434 0.064 Uiso 0.462(14) 1 calc PR A 2
C59 C 0.4919(3) -0.06603(18) 0.2712(2) 0.0340(7) Uani 1 1 d . A .
H59 H 0.5483 -0.0825 0.3149 0.041 Uiso 1 1 calc R B 1
C60 C 0.3889(3) -0.03677(18) 0.29891(19) 0.0295(6) Uani 1 1 d . A .
H60 H 0.3820 -0.0371 0.3577 0.035 Uiso 1 1 calc R C 1
C55A C 0.3858(2) 0.05875(19) 0.19348(17) 0.0247(6) Uani 0.538(14) 1 d PU A 1
H55A H 0.3845 0.1191 0.1932 0.030 Uiso 0.538(14) 1 calc PR A 1
C61A C 0.2545(13) -0.0602(10) 0.2219(9) 0.023(2) Uani 0.538(14) 1 d PU A 1
H61A H 0.2406 -0.1210 0.1699 0.028 Uiso 0.538(14) 1 calc PR A 1
H61B H 0.1839 -0.0626 0.2490 0.028 Uiso 0.538(14) 1 calc PR A 1
C62A C 0.2539(8) 0.0105(7) 0.1871(7) 0.0314(19) Uani 0.538(14) 1 d PU A 1
H62A H 0.2139 0.0570 0.2227 0.038 Uiso 0.538(14) 1 calc PR A 1
H62B H 0.2002 -0.0191 0.1219 0.038 Uiso 0.538(14) 1 calc PR A 1
C55B C 0.3858(2) 0.05875(19) 0.19348(17) 0.0247(6) Uani 0.462(14) 1 d PU A 2
H55B H 0.3697 0.1151 0.1890 0.030 Uiso 0.462(14) 1 calc PR A 2
C61B C 0.2675(17) -0.0430(12) 0.2466(10) 0.028(3) Uani 0.462(14) 1 d PU A 2
H61C H 0.2281 0.0000 0.2872 0.033 Uiso 0.462(14) 1 calc PR A 2
H61D H 0.2136 -0.1056 0.2229 0.033 Uiso 0.462(14) 1 calc PR A 2
C62B C 0.2683(9) -0.0209(7) 0.1627(6) 0.0208(18) Uani 0.462(14) 1 d PU A 2
H62C H 0.2726 -0.0755 0.1100 0.025 Uiso 0.462(14) 1 calc PR A 2
H62D H 0.1891 -0.0036 0.1432 0.025 Uiso 0.462(14) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C24 Rh1 N4 91.07(8) . . ?
C24 Rh1 C25 38.86(9) . . ?
N4 Rh1 C25 91.77(8) . . ?
C24 Rh1 C29 82.29(9) . . ?
N4 Rh1 C29 167.30(8) . . ?
C25 Rh1 C29 89.82(9) . . ?
C24 Rh1 N2 173.83(8) . . ?
N4 Rh1 N2 85.50(7) . . ?
C25 Rh1 N2 146.22(8) . . ?
C29 Rh1 N2 100.08(8) . . ?
C24 Rh1 C28 98.35(9) . . ?
N4 Rh1 C28 154.23(8) . . ?
C25 Rh1 C28 81.10(9) . . ?
C29 Rh1 C28 38.34(9) . . ?
N2 Rh1 C28 86.90(8) . . ?
C1 N1 C2 105.68(19) . . ?
C1 N1 B1 127.65(18) . . ?
C2 N1 B1 126.0(2) . . ?
C1 N2 C7 115.71(19) . . ?
C1 N2 Rh1 121.80(15) . . ?
C7 N2 Rh1 122.02(15) . . ?
C8 N3 C9 105.60(18) . . ?
C8 N3 B1 124.85(19) . . ?
C9 N3 B1 126.39(19) . . ?
C14 N4 C8 115.65(19) . . ?
C14 N4 Rh1 121.70(15) . . ?
C8 N4 Rh1 122.59(14) . . ?
N1 B1 N3 104.69(17) . . ?
N1 B1 C15 112.92(18) . . ?
N3 B1 C15 113.3(2) . . ?
N1 B1 H1B 108.6 . . ?
N3 B1 H1B 108.6 . . ?
C15 B1 H1B 108.6 . . ?
N5 B2 N7 103.98(18) . . ?
N5 B2 C46 113.40(18) . . ?
N7 B2 C46 113.96(19) . . ?
N5 B2 H2B 108.4 . . ?
N7 B2 H2B 108.4 . . ?
C46 B2 H2B 108.4 . . ?
N2 C1 N1 125.7(2) . . ?
N2 C1 C4 123.9(2) . . ?
N1 C1 C4 110.4(2) . . ?
C3 C2 N1 112.1(2) . . ?
C3 C2 H2 123.9 . . ?
N1 C2 H2 123.9 . . ?
C2 C3 C4 106.6(2) . . ?
C2 C3 H3 126.7 . . ?
C4 C3 H3 126.7 . . ?
C5 C4 C1 118.5(2) . . ?
C5 C4 C3 136.2(2) . . ?
C1 C4 C3 105.2(2) . . ?
C6 C5 C4 117.6(2) . . ?
C6 C5 H5 121.2 . . ?
C4 C5 H5 121.2 . . ?
C5 C6 C7 120.6(2) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
N2 C7 C6 123.7(2) . . ?
N2 C7 H7 118.2 . . ?
C6 C7 H7 118.2 . . ?
N4 C8 N3 125.4(2) . . ?
N4 C8 C11 124.2(2) . . ?
N3 C8 C11 110.4(2) . . ?
C10 C9 N3 112.2(2) . . ?
C10 C9 H9 123.9 . . ?
N3 C9 H9 123.9 . . ?
C9 C10 C11 106.5(2) . . ?
C9 C10 H10 126.7 . . ?
C11 C10 H10 126.7 . . ?
C12 C11 C8 117.6(2) . . ?
C12 C11 C10 136.7(2) . . ?
C8 C11 C10 105.3(2) . . ?
C13 C12 C11 118.3(2) . . ?
C13 C12 H12 120.9 . . ?
C11 C12 H12 120.8 . . ?
C12 C13 C14 120.2(2) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
N4 C14 C13 123.8(2) . . ?
N4 C14 H14 118.1 . . ?
C13 C14 H14 118.1 . . ?
C20 C15 C16 116.4(2) . . ?
C20 C15 B1 122.4(2) . . ?
C16 C15 B1 121.2(2) . . ?
C17 C16 C15 120.1(2) . . ?
C17 C16 C21 117.3(2) . . ?
C15 C16 C21 122.5(2) . . ?
C18 C17 C16 122.3(2) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 117.1(2) . . ?
C17 C18 C22 121.5(3) . . ?
C19 C18 C22 121.4(3) . . ?
C18 C19 C20 121.9(3) . . ?
C18 C19 H19 119.0 . . ?
C20 C19 H19 119.0 . . ?
C19 C20 C15 120.3(2) . . ?
C19 C20 C23 116.6(2) . . ?
C15 C20 C23 123.0(2) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C31 125.3(2) . . ?
C25 C24 Rh1 71.22(13) . . ?
C31 C24 Rh1 110.22(15) . . ?
C25 C24 H24 114.0 . . ?
C31 C24 H24 114.0 . . ?
Rh1 C24 H24 114.0 . . ?
C24 C25 C26 124.1(2) . . ?
C24 C25 Rh1 69.92(12) . . ?
C26 C25 Rh1 114.14(15) . . ?
C24 C25 H25 113.7 . . ?
C26 C25 H25 113.7 . . ?
Rh1 C25 H25 113.7 . . ?
C25 C26 C27 111.92(19) . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C27 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C28 C27 C26 112.3(2) . . ?
C28 C27 H27A 109.1 . . ?
C26 C27 H27A 109.1 . . ?
C28 C27 H27B 109.1 . . ?
C26 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?
C29 C28 C27 125.6(2) . . ?
C29 C28 Rh1 70.56(13) . . ?
C27 C28 Rh1 111.07(16) . . ?
C29 C28 H28 113.8 . . ?
C27 C28 H28 113.8 . . ?
Rh1 C28 H28 113.8 . . ?
C28 C29 C30 124.2(2) . . ?
C28 C29 Rh1 71.09(13) . . ?
C30 C29 Rh1 112.41(16) . . ?
C28 C29 H29 113.9 . . ?
C30 C29 H29 113.9 . . ?
Rh1 C29 H29 113.9 . . ?
C29 C30 C31 112.24(19) . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
C31 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C24 C31 C30 112.8(2) . . ?
C24 C31 H31A 109.0 . . ?
C30 C31 H31A 109.0 . . ?
C24 C31 H31B 109.0 . . ?
C30 C31 H31B 109.0 . . ?
H31A C31 H31B 107.8 . . ?
C55A Rh2 N6 95.73(9) . . ?
C55A Rh2 C60 82.45(11) . . ?
N6 Rh2 C60 171.72(9) . . ?
C55A Rh2 C59 92.99(11) . . ?
N6 Rh2 C59 149.74(10) . . ?
C60 Rh2 C59 38.54(11) . . ?
C55A Rh2 C56A 38.55(11) . . ?
N6 Rh2 C56A 88.56(10) . . ?
C60 Rh2 C56A 94.89(12) . . ?
C59 Rh2 C56A 80.42(12) . . ?
C55A Rh2 N8 172.62(9) . . ?
N6 Rh2 N8 84.27(7) . . ?
C60 Rh2 N8 96.49(9) . . ?
C59 Rh2 N8 90.64(9) . . ?
C56A Rh2 N8 148.70(10) . . ?
C32 N5 C33 105.59(19) . . ?
C32 N5 B2 125.60(18) . . ?
C33 N5 B2 125.38(19) . . ?
C32 N6 C38 115.5(2) . . ?
C32 N6 Rh2 122.76(15) . . ?
C38 N6 Rh2 121.44(16) . . ?
C39 N7 C40 105.85(18) . . ?
C39 N7 B2 126.72(19) . . ?
C40 N7 B2 125.45(19) . . ?
C45 N8 C39 115.42(19) . . ?
C45 N8 Rh2 121.38(16) . . ?
C39 N8 Rh2 122.63(14) . . ?
N6 C32 N5 125.5(2) . . ?
N6 C32 C35 124.3(2) . . ?
N5 C32 C35 110.16(19) . . ?
C34 C33 N5 112.5(2) . . ?
C34 C33 H33 123.8 . . ?
N5 C33 H33 123.8 . . ?
C33 C34 C35 106.0(2) . . ?
C33 C34 H34 127.0 . . ?
C35 C34 H34 127.0 . . ?
C36 C35 C32 118.1(2) . . ?
C36 C35 C34 136.0(2) . . ?
C32 C35 C34 105.8(2) . . ?
C37 C36 C35 117.8(2) . . ?
C37 C36 H36 121.1 . . ?
C35 C36 H36 121.1 . . ?
C38 C37 C36 120.4(2) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
N6 C38 C37 123.9(2) . . ?
N6 C38 H38 118.1 . . ?
C37 C38 H38 118.1 . . ?
N8 C39 N7 125.5(2) . . ?
N8 C39 C42 124.5(2) . . ?
N7 C39 C42 110.0(2) . . ?
C41 C40 N7 112.1(2) . . ?
C41 C40 H40 124.0 . . ?
N7 C40 H40 124.0 . . ?
C40 C41 C42 106.2(2) . . ?
C40 C41 H41 126.9 . . ?
C42 C41 H41 126.9 . . ?
C43 C42 C41 136.1(2) . . ?
C43 C42 C39 117.9(2) . . ?
C41 C42 C39 106.0(2) . . ?
C44 C43 C42 117.7(2) . . ?
C44 C43 H43 121.1 . . ?
C42 C43 H43 121.1 . . ?
C43 C44 C45 120.4(2) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
N8 C45 C44 124.0(2) . . ?
N8 C45 H45 118.0 . . ?
C44 C45 H45 118.0 . . ?
C47 C46 C51 116.18(19) . . ?
C47 C46 B2 122.09(19) . . ?
C51 C46 B2 121.6(2) . . ?
C48 C47 C46 120.8(2) . . ?
C48 C47 C52 116.0(2) . . ?
C46 C47 C52 123.0(2) . . ?
C49 C48 C47 122.2(2) . . ?
C49 C48 H48 118.9 . . ?
C47 C48 H48 118.9 . . ?
C50 C49 C48 116.9(2) . . ?
C50 C49 C53 122.3(2) . . ?
C48 C49 C53 120.7(2) . . ?
C49 C50 C51 122.3(2) . . ?
C49 C50 H50 118.9 . . ?
C51 C50 H50 118.9 . . ?
C50 C51 C46 120.5(2) . . ?
C50 C51 C54 116.91(19) . . ?
C46 C51 C54 122.5(2) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C55A C56A C57A 136.9(4) . . ?
C55A C56A Rh2 70.04(14) . . ?
C57A C56A Rh2 113.2(3) . . ?
C55A C56A H56A 109.4 . . ?
C57A C56A H56A 109.4 . . ?
Rh2 C56A H56A 109.4 . . ?
C56A C57A C58A 107.8(5) . . ?
C56A C57A H57A 110.1 . . ?
C58A C57A H57A 110.1 . . ?
C56A C57A H57B 110.1 . . ?
C58A C57A H57B 110.1 . . ?
H57A C57A H57B 108.5 . . ?
C59 C58A C57A 114.5(3) . . ?
C59 C58A H58A 108.6 . . ?
C57A C58A H58A 108.6 . . ?
C59 C58A H58B 108.6 . . ?
C57A C58A H58B 108.6 . . ?
H58A C58A H58B 107.6 . . ?
H57C C57B H57D 107.3 . . ?
C60 C59 C58A 123.7(3) . . ?
C60 C59 Rh2 70.40(15) . . ?
C58A C59 Rh2 112.8(2) . . ?
C60 C59 H59 114.1 . . ?
C58A C59 H59 114.1 . . ?
Rh2 C59 H59 114.1 . . ?
C59 C60 C61B 130.5(7) . . ?
C59 C60 C61A 119.6(5) . . ?
C59 C60 Rh2 71.06(16) . . ?
C61B C60 Rh2 110.0(8) . . ?
C61A C60 Rh2 112.1(6) . . ?
C59 C60 H60 115.5 . . ?
C61B C60 H60 108.3 . . ?
C61A C60 H60 115.5 . . ?
Rh2 C60 H60 115.5 . . ?
C56A C55A C62A 135.3(5) . . ?
C56A C55A Rh2 71.41(14) . . ?
C62A C55A Rh2 110.3(4) . . ?
C56A C55A H55A 110.3 . . ?
C62A C55A H55A 110.3 . . ?
Rh2 C55A H55A 110.3 . . ?
C62A C61A C60 110.8(10) . . ?
C62A C61A H61A 109.5 . . ?
C60 C61A H61A 109.5 . . ?
C62A C61A H61B 109.5 . . ?
C60 C61A H61B 109.5 . . ?
H61A C61A H61B 108.1 . . ?
C61A C62A C55A 114.3(8) . . ?
C61A C62A H62A 108.7 . . ?
C55A C62A H62A 108.7 . . ?
C61A C62A H62B 108.7 . . ?
C55A C62A H62B 108.7 . . ?
H62A C62A H62B 107.6 . . ?
C60 C61B C62B 113.9(13) . . ?
C60 C61B H61C 108.8 . . ?
C62B C61B H61C 108.8 . . ?
C60 C61B H61D 108.8 . . ?
C62B C61B H61D 108.8 . . ?
H61C C61B H61D 107.7 . . ?
C61B C62B H62C 110.0 . . ?
C61B C62B H62D 110.0 . . ?
H62C C62B H62D 108.4 . . ?
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 C24 2.106(2) . ?
Rh1 N4 2.1138(18) . ?
Rh1 C25 2.122(2) . ?
Rh1 C29 2.134(2) . ?
Rh1 N2 2.1349(18) . ?
Rh1 C28 2.141(2) . ?
N1 C1 1.363(3) . ?
N1 C2 1.389(3) . ?
N1 B1 1.560(3) . ?
N2 C1 1.348(3) . ?
N2 C7 1.348(3) . ?
N3 C8 1.366(3) . ?
N3 C9 1.386(3) . ?
N3 B1 1.563(3) . ?
N4 C14 1.346(3) . ?
N4 C8 1.352(3) . ?
B1 C15 1.618(3) . ?
B1 H1B 1.0000 . ?
B2 N5 1.560(3) . ?
B2 N7 1.566(3) . ?
B2 C46 1.619(3) . ?
B2 H2B 1.0000 . ?
C1 C4 1.426(3) . ?
C2 C3 1.357(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.431(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C5 C6 1.381(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C11 1.423(3) . ?
C9 C10 1.359(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.428(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(3) . ?
C12 C13 1.377(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.388(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.406(3) . ?
C15 C16 1.420(3) . ?
C16 C17 1.393(3) . ?
C16 C21 1.516(4) . ?
C17 C18 1.383(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(4) . ?
C18 C22 1.509(4) . ?
C19 C20 1.403(3) . ?
C19 H19 0.9500 . ?
C20 C23 1.518(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.407(3) . ?
C24 C31 1.511(3) . ?
C24 H24 1.0000 . ?
C25 C26 1.522(3) . ?
C25 H25 1.0000 . ?
C26 C27 1.530(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.507(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.404(3) . ?
C28 H28 1.0000 . ?
C29 C30 1.522(3) . ?
C29 H29 1.0000 . ?
C30 C31 1.530(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
Rh2 C55A 2.114(2) . ?
Rh2 N6 2.115(2) . ?
Rh2 C60 2.117(3) . ?
Rh2 C59 2.125(3) . ?
Rh2 C56A 2.132(3) . ?
Rh2 N8 2.1369(19) . ?
N5 C32 1.366(3) . ?
N5 C33 1.385(3) . ?
N6 C32 1.350(3) . ?
N6 C38 1.351(3) . ?
N7 C39 1.364(3) . ?
N7 C40 1.383(3) . ?
N8 C45 1.342(3) . ?
N8 C39 1.351(3) . ?
C32 C35 1.423(3) . ?
C33 C34 1.362(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.428(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(3) . ?
C36 C37 1.385(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.385(3) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C42 1.423(3) . ?
C40 C41 1.366(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.420(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.395(3) . ?
C43 C44 1.380(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.395(3) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C47 1.415(3) . ?
C46 C51 1.418(3) . ?
C47 C48 1.391(3) . ?
C47 C52 1.517(3) . ?
C48 C49 1.389(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.388(3) . ?
C49 C53 1.510(3) . ?
C50 C51 1.394(3) . ?
C50 H50 0.9500 . ?
C51 C54 1.520(3) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C56A C55A 1.402(4) . ?
C56A C57A 1.504(8) . ?
C56A H56A 1.0000 . ?
C57A C58A 1.559(9) . ?
C57A H57A 0.9900 . ?
C57A H57B 0.9900 . ?
C58A C59 1.525(5) . ?
C58A H58A 0.9900 . ?
C58A H58B 0.9900 . ?
C57B H57C 0.9900 . ?
C57B H57D 0.9900 . ?
C59 C60 1.400(4) . ?
C59 H59 1.0000 . ?
C60 C61B 1.401(18) . ?
C60 C61A 1.619(13) . ?
C60 H60 1.0000 . ?
C55A C62A 1.527(10) . ?
C55A H55A 1.0000 . ?
C61A C62A 1.498(19) . ?
C61A H61A 0.9900 . ?
C61A H61B 0.9900 . ?
C62A H62A 0.9900 . ?
C62A H62B 0.9900 . ?
C61B C62B 1.58(2) . ?
C61B H61C 0.9900 . ?
C61B H61D 0.9900 . ?
C62B H62C 0.9900 . ?
C62B H62D 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
N4 Rh1 N2 C1 -72.44(17) . . . . ?
C25 Rh1 N2 C1 -158.88(16) . . . . ?
C29 Rh1 N2 C1 96.05(17) . . . . ?
C28 Rh1 N2 C1 132.21(17) . . . . ?
N4 Rh1 N2 C7 99.34(17) . . . . ?
C25 Rh1 N2 C7 12.9(2) . . . . ?
C29 Rh1 N2 C7 -92.18(18) . . . . ?
C28 Rh1 N2 C7 -56.02(18) . . . . ?
C24 Rh1 N4 C14 91.65(18) . . . . ?
C25 Rh1 N4 C14 52.79(18) . . . . ?
C29 Rh1 N4 C14 149.8(3) . . . . ?
N2 Rh1 N4 C14 -93.49(17) . . . . ?
C28 Rh1 N4 C14 -20.2(3) . . . . ?
C24 Rh1 N4 C8 -91.30(17) . . . . ?
C25 Rh1 N4 C8 -130.17(17) . . . . ?
C29 Rh1 N4 C8 -33.1(4) . . . . ?
N2 Rh1 N4 C8 83.56(17) . . . . ?
C28 Rh1 N4 C8 156.83(19) . . . . ?
C1 N1 B1 N3 87.2(2) . . . . ?
C2 N1 B1 N3 -82.2(3) . . . . ?
C1 N1 B1 C15 -149.1(2) . . . . ?
C2 N1 B1 C15 41.4(3) . . . . ?
C8 N3 B1 N1 -72.3(2) . . . . ?
C9 N3 B1 N1 84.6(3) . . . . ?
C8 N3 B1 C15 164.22(19) . . . . ?
C9 N3 B1 C15 -38.8(3) . . . . ?
C7 N2 C1 N1 -176.2(2) . . . . ?
Rh1 N2 C1 N1 -4.0(3) . . . . ?
C7 N2 C1 C4 1.8(3) . . . . ?
Rh1 N2 C1 C4 174.09(16) . . . . ?
C2 N1 C1 N2 177.4(2) . . . . ?
B1 N1 C1 N2 6.2(4) . . . . ?
C2 N1 C1 C4 -0.9(2) . . . . ?
B1 N1 C1 C4 -172.1(2) . . . . ?
C1 N1 C2 C3 1.8(3) . . . . ?
B1 N1 C2 C3 173.2(2) . . . . ?
N1 C2 C3 C4 -1.9(3) . . . . ?
N2 C1 C4 C5 -2.1(3) . . . . ?
N1 C1 C4 C5 176.2(2) . . . . ?
N2 C1 C4 C3 -178.5(2) . . . . ?
N1 C1 C4 C3 -0.2(3) . . . . ?
C2 C3 C4 C5 -174.2(3) . . . . ?
C2 C3 C4 C1 1.3(3) . . . . ?
C1 C4 C5 C6 0.6(3) . . . . ?
C3 C4 C5 C6 175.7(3) . . . . ?
C4 C5 C6 C7 0.8(4) . . . . ?
C1 N2 C7 C6 -0.3(3) . . . . ?
Rh1 N2 C7 C6 -172.50(17) . . . . ?
C5 C6 C7 N2 -1.1(4) . . . . ?
C14 N4 C8 N3 175.6(2) . . . . ?
Rh1 N4 C8 N3 -1.6(3) . . . . ?
C14 N4 C8 C11 -2.1(3) . . . . ?
Rh1 N4 C8 C11 -179.28(16) . . . . ?
C9 N3 C8 N4 -178.0(2) . . . . ?
B1 N3 C8 N4 -17.1(3) . . . . ?
C9 N3 C8 C11 -0.1(2) . . . . ?
B1 N3 C8 C11 160.83(19) . . . . ?
C8 N3 C9 C10 -0.8(3) . . . . ?
B1 N3 C9 C10 -161.3(2) . . . . ?
N3 C9 C10 C11 1.4(3) . . . . ?
N4 C8 C11 C12 4.2(3) . . . . ?
N3 C8 C11 C12 -173.77(19) . . . . ?
N4 C8 C11 C10 178.8(2) . . . . ?
N3 C8 C11 C10 0.8(2) . . . . ?
C9 C10 C11 C12 171.7(3) . . . . ?
C9 C10 C11 C8 -1.3(2) . . . . ?
C8 C11 C12 C13 -3.3(3) . . . . ?
C10 C11 C12 C13 -175.7(3) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
C8 N4 C14 C13 -0.9(3) . . . . ?
Rh1 N4 C14 C13 176.35(17) . . . . ?
C12 C13 C14 N4 1.6(4) . . . . ?
N1 B1 C15 C20 -150.7(2) . . . . ?
N3 B1 C15 C20 -31.9(3) . . . . ?
N1 B1 C15 C16 29.0(3) . . . . ?
N3 B1 C15 C16 147.7(2) . . . . ?
C20 C15 C16 C17 14.2(3) . . . . ?
B1 C15 C16 C17 -165.5(2) . . . . ?
C20 C15 C16 C21 -161.1(2) . . . . ?
B1 C15 C16 C21 19.3(3) . . . . ?
C15 C16 C17 C18 -4.0(3) . . . . ?
C21 C16 C17 C18 171.5(2) . . . . ?
C16 C17 C18 C19 -7.2(3) . . . . ?
C16 C17 C18 C22 173.8(2) . . . . ?
C17 C18 C19 C20 8.0(3) . . . . ?
C22 C18 C19 C20 -173.1(2) . . . . ?
C18 C19 C20 C15 2.5(4) . . . . ?
C18 C19 C20 C23 -174.1(2) . . . . ?
C16 C15 C20 C19 -13.4(3) . . . . ?
B1 C15 C20 C19 166.2(2) . . . . ?
C16 C15 C20 C23 163.0(2) . . . . ?
B1 C15 C20 C23 -17.4(3) . . . . ?
N4 Rh1 C24 C25 -91.49(14) . . . . ?
C29 Rh1 C24 C25 99.38(14) . . . . ?
C28 Rh1 C24 C25 64.45(15) . . . . ?
N4 Rh1 C24 C31 146.79(17) . . . . ?
C25 Rh1 C24 C31 -121.7(2) . . . . ?
C29 Rh1 C24 C31 -22.34(17) . . . . ?
C28 Rh1 C24 C31 -57.28(18) . . . . ?
C31 C24 C25 C26 -4.2(3) . . . . ?
Rh1 C24 C25 C26 -106.2(2) . . . . ?
C31 C24 C25 Rh1 101.9(2) . . . . ?
N4 Rh1 C25 C24 89.51(14) . . . . ?
C29 Rh1 C25 C24 -77.88(14) . . . . ?
N2 Rh1 C25 C24 174.05(13) . . . . ?
C28 Rh1 C25 C24 -115.38(15) . . . . ?
C24 Rh1 C25 C26 119.4(2) . . . . ?
N4 Rh1 C25 C26 -151.10(17) . . . . ?
C29 Rh1 C25 C26 41.51(18) . . . . ?
N2 Rh1 C25 C26 -66.6(2) . . . . ?
C28 Rh1 C25 C26 4.01(17) . . . . ?
C24 C25 C26 C27 94.4(3) . . . . ?
Rh1 C25 C26 C27 13.1(3) . . . . ?
C25 C26 C27 C28 -30.6(3) . . . . ?
C26 C27 C28 C29 -46.9(3) . . . . ?
C26 C27 C28 Rh1 33.7(2) . . . . ?
C24 Rh1 C28 C29 66.18(15) . . . . ?
N4 Rh1 C28 C29 176.50(16) . . . . ?
C25 Rh1 C28 C29 101.13(14) . . . . ?
N2 Rh1 C28 C29 -110.55(14) . . . . ?
C24 Rh1 C28 C27 -55.52(18) . . . . ?
N4 Rh1 C28 C27 54.8(3) . . . . ?
C25 Rh1 C28 C27 -20.57(17) . . . . ?
C29 Rh1 C28 C27 -121.7(2) . . . . ?
N2 Rh1 C28 C27 127.76(17) . . . . ?
C27 C28 C29 C30 -2.2(4) . . . . ?
Rh1 C28 C29 C30 -104.7(2) . . . . ?
C27 C28 C29 Rh1 102.5(2) . . . . ?
C24 Rh1 C29 C28 -114.03(15) . . . . ?
N4 Rh1 C29 C28 -173.1(3) . . . . ?
C25 Rh1 C29 C28 -75.78(14) . . . . ?
N2 Rh1 C29 C28 71.74(14) . . . . ?
C24 Rh1 C29 C30 6.09(17) . . . . ?
N4 Rh1 C29 C30 -52.9(4) . . . . ?
C25 Rh1 C29 C30 44.33(18) . . . . ?
N2 Rh1 C29 C30 -168.14(16) . . . . ?
C28 Rh1 C29 C30 120.1(2) . . . . ?
C28 C29 C30 C31 93.1(3) . . . . ?
Rh1 C29 C30 C31 11.3(3) . . . . ?
C25 C24 C31 C30 -45.6(3) . . . . ?
Rh1 C24 C31 C30 35.2(2) . . . . ?
C29 C30 C31 C24 -30.6(3) . . . . ?
N7 B2 N5 C32 74.6(2) . . . . ?
C46 B2 N5 C32 -161.10(19) . . . . ?
N7 B2 N5 C33 -81.5(2) . . . . ?
C46 B2 N5 C33 42.8(3) . . . . ?
C55A Rh2 N6 C32 93.18(18) . . . . ?
C59 Rh2 N6 C32 -160.81(19) . . . . ?
C56A Rh2 N6 C32 131.11(18) . . . . ?
N8 Rh2 N6 C32 -79.40(17) . . . . ?
C55A Rh2 N6 C38 -93.53(18) . . . . ?
C59 Rh2 N6 C38 12.5(3) . . . . ?
C56A Rh2 N6 C38 -55.60(18) . . . . ?
N8 Rh2 N6 C38 93.89(17) . . . . ?
N5 B2 N7 C39 -81.2(3) . . . . ?
C46 B2 N7 C39 154.8(2) . . . . ?
N5 B2 N7 C40 80.4(3) . . . . ?
C46 B2 N7 C40 -43.5(3) . . . . ?
N6 Rh2 N8 C45 -96.72(19) . . . . ?
C60 Rh2 N8 C45 91.6(2) . . . . ?
C59 Rh2 N8 C45 53.4(2) . . . . ?
C56A Rh2 N8 C45 -19.0(3) . . . . ?
N6 Rh2 N8 C39 74.22(18) . . . . ?
C60 Rh2 N8 C39 -97.48(19) . . . . ?
C59 Rh2 N8 C39 -135.67(19) . . . . ?
C56A Rh2 N8 C39 151.9(2) . . . . ?
C38 N6 C32 N5 -176.4(2) . . . . ?
Rh2 N6 C32 N5 -2.7(3) . . . . ?
C38 N6 C32 C35 1.1(3) . . . . ?
Rh2 N6 C32 C35 174.74(16) . . . . ?
B2 N5 C32 N6 17.8(3) . . . . ?
C33 N5 C32 C35 -0.1(2) . . . . ?
B2 N5 C32 C35 -160.01(19) . . . . ?
C32 N5 C33 C34 0.8(2) . . . . ?
B2 N5 C33 C34 160.8(2) . . . . ?
N5 C33 C34 C35 -1.2(3) . . . . ?
N6 C32 C35 C36 -1.2(3) . . . . ?
N5 C32 C35 C36 176.65(19) . . . . ?
N6 C32 C35 C34 -178.4(2) . . . . ?
N5 C32 C35 C34 -0.6(2) . . . . ?
C33 C34 C35 C36 -175.5(2) . . . . ?
C33 C34 C35 C32 1.1(2) . . . . ?
C32 C35 C36 C37 0.4(3) . . . . ?
C34 C35 C36 C37 176.6(2) . . . . ?
C35 C36 C37 C38 0.4(3) . . . . ?
C32 N6 C38 C37 -0.2(3) . . . . ?
Rh2 N6 C38 C37 -174.00(17) . . . . ?
C36 C37 C38 N6 -0.5(4) . . . . ?
C45 N8 C39 N7 177.1(2) . . . . ?
Rh2 N8 C39 N7 5.7(3) . . . . ?
C45 N8 C39 C42 -0.5(3) . . . . ?
Rh2 N8 C39 C42 -171.98(18) . . . . ?
C40 N7 C39 N8 -177.2(2) . . . . ?
B2 N7 C39 N8 -12.7(4) . . . . ?
C40 N7 C39 C42 0.7(3) . . . . ?
B2 N7 C39 C42 165.3(2) . . . . ?
C39 N7 C40 C41 -1.1(3) . . . . ?
B2 N7 C40 C41 -165.9(2) . . . . ?
N7 C40 C41 C42 1.0(3) . . . . ?
C40 C41 C42 C43 176.7(3) . . . . ?
C40 C41 C42 C39 -0.5(3) . . . . ?
N8 C39 C42 C43 0.0(4) . . . . ?
N7 C39 C42 C43 -178.0(2) . . . . ?
N8 C39 C42 C41 177.8(2) . . . . ?
N7 C39 C42 C41 -0.2(3) . . . . ?
C41 C42 C43 C44 -176.5(3) . . . . ?
C39 C42 C43 C44 0.5(4) . . . . ?
C42 C43 C44 C45 -0.4(4) . . . . ?
C39 N8 C45 C44 0.6(4) . . . . ?
Rh2 N8 C45 C44 172.20(19) . . . . ?
C43 C44 C45 N8 -0.2(4) . . . . ?
N5 B2 C46 C47 -149.5(2) . . . . ?
N7 B2 C46 C47 -30.8(3) . . . . ?
N5 B2 C46 C51 34.4(3) . . . . ?
N7 B2 C46 C51 153.1(2) . . . . ?
C51 C46 C47 C48 -10.9(3) . . . . ?
B2 C46 C47 C48 172.7(2) . . . . ?
C51 C46 C47 C52 163.2(2) . . . . ?
B2 C46 C47 C52 -13.1(3) . . . . ?
C46 C47 C48 C49 2.4(3) . . . . ?
C52 C47 C48 C49 -172.2(2) . . . . ?
C47 C48 C49 C50 5.8(3) . . . . ?
C47 C48 C49 C53 -177.4(2) . . . . ?
C48 C49 C50 C51 -5.0(3) . . . . ?
C53 C49 C50 C51 178.2(2) . . . . ?
C49 C50 C51 C46 -3.8(3) . . . . ?
C49 C50 C51 C54 171.5(2) . . . . ?
C47 C46 C51 C50 11.6(3) . . . . ?
B2 C46 C51 C50 -172.0(2) . . . . ?
C47 C46 C51 C54 -163.5(2) . . . . ?
B2 C46 C51 C54 12.9(3) . . . . ?
N6 Rh2 C56A C55A -101.05(17) . . . . ?
C60 Rh2 C56A C55A 71.41(18) . . . . ?
C59 Rh2 C56A C55A 107.25(19) . . . . ?
N8 Rh2 C56A C55A -177.56(16) . . . . ?
C55A Rh2 C56A C57A -133.6(4) . . . . ?
N6 Rh2 C56A C57A 125.4(4) . . . . ?
C60 Rh2 C56A C57A -62.2(4) . . . . ?
C59 Rh2 C56A C57A -26.3(4) . . . . ?
N8 Rh2 C56A C57A 48.9(5) . . . . ?
C55A C56A C57A C58A -48.1(8) . . . . ?
Rh2 C56A C57A C58A 37.0(6) . . . . ?
C56A C57A C58A C59 -29.6(7) . . . . ?
C57A C58A C59 C60 90.2(5) . . . . ?
C57A C58A C59 Rh2 9.2(5) . . . . ?
C55A Rh2 C59 C60 -73.94(17) . . . . ?
N6 Rh2 C59 C60 179.34(15) . . . . ?
C56A Rh2 C59 C60 -110.52(18) . . . . ?
N8 Rh2 C59 C60 99.64(16) . . . . ?
C55A Rh2 C59 C58A 45.4(2) . . . . ?
N6 Rh2 C59 C58A -61.4(3) . . . . ?
C60 Rh2 C59 C58A 119.3(3) . . . . ?
C56A Rh2 C59 C58A 8.8(2) . . . . ?
N8 Rh2 C59 C58A -141.1(2) . . . . ?
C58A C59 C60 C61B -4.3(12) . . . . ?
Rh2 C59 C60 C61B 100.6(11) . . . . ?
C58A C59 C60 C61A 0.4(8) . . . . ?
Rh2 C59 C60 C61A 105.3(7) . . . . ?
C58A C59 C60 Rh2 -104.9(3) . . . . ?
C55A Rh2 C60 C59 104.52(17) . . . . ?
C56A Rh2 C60 C59 67.95(18) . . . . ?
N8 Rh2 C60 C59 -82.84(16) . . . . ?
C55A Rh2 C60 C61B -22.7(7) . . . . ?
C59 Rh2 C60 C61B -127.2(7) . . . . ?
C56A Rh2 C60 C61B -59.3(7) . . . . ?
N8 Rh2 C60 C61B 149.9(7) . . . . ?
C55A Rh2 C60 C61A -10.6(5) . . . . ?
C59 Rh2 C60 C61A -115.1(5) . . . . ?
C56A Rh2 C60 C61A -47.1(5) . . . . ?
N8 Rh2 C60 C61A 162.1(5) . . . . ?
C57A C56A C55A C62A 2.6(8) . . . . ?
Rh2 C56A C55A C62A -100.4(5) . . . . ?
C57A C56A C55A Rh2 103.0(5) . . . . ?
N6 Rh2 C55A C56A 80.43(18) . . . . ?
C60 Rh2 C55A C56A -107.71(19) . . . . ?
C59 Rh2 C55A C56A -70.56(19) . . . . ?
N6 Rh2 C55A C62A -147.1(5) . . . . ?
C60 Rh2 C55A C62A 24.7(5) . . . . ?
C59 Rh2 C55A C62A 61.9(5) . . . . ?
C56A Rh2 C55A C62A 132.4(5) . . . . ?
C59 C60 C61A C62A -85.8(10) . . . . ?
C61B C60 C61A C62A 76(7) . . . . ?
Rh2 C60 C61A C62A -5.7(11) . . . . ?
C60 C61A C62A C55A 26.9(14) . . . . ?
C56A C55A C62A C61A 47.8(12) . . . . ?
Rh2 C55A C62A C61A -35.9(11) . . . . ?
C59 C60 C61B C62B -41.9(17) . . . . ?
C61A C60 C61B C62B -63(6) . . . . ?
Rh2 C60 C61B C62B 39.9(13) . . . . ?
