#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:46:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179262 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/82/4318233.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_4318233
loop_
_publ_author_name
'Viorel Cîrcu'
'Manuel A. Fernandes'
'Laurence Carlton'
_publ_contact_author             'Laurence Carlton'
_publ_contact_author_email       carlton@aurum.chem.wits.ac.za
_publ_section_title
;
 Reaction of
 Bis(phosphine)(hydrotris(3,5-dimethylpyrazolyl)borato)rhodium(I) with
 Phenylacetylene, p-Nitrobenzaldehyde, and Triphenyltin Hydride:
 Structures of [Rh(Tp*)(PPh3)2], [Rh(Tp*)(H)(C2Ph){P(4-C6H4F)3}],
 [Rh(Tp*)(H)(COC6H4-4-NO2)(PPh3)], and [Rh(Tp*)(H)(SnPh3)(PPh3)]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3859
_journal_page_last               3865
_journal_paper_doi               10.1021/ic0112037
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C51 H52 B N6 P2 Rh, C2 H6 O'
_chemical_formula_sum            'C53 H58 B N6 O P2 Rh'
_chemical_formula_weight         970.71
_chemical_name_common
Bis(triphenylphosphine)rhodium(I)hydrotris(3,5-dimethylpyrazolyl)borate
_chemical_name_systematic
;

  ?

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.576(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9664(19)
_cell_length_b                   21.355(3)
_cell_length_c                   20.685(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4880.8(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33868
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.460
_exptl_absorpt_correction_T_max  0.9598
_exptl_absorpt_correction_T_min  0.8556
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Sheldrick, G. M. (1996). SADABS. University of Gottingen, Germany.'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rhombus
_exptl_crystal_F_000             2024
_exptl_crystal_preparation
'Recrystallised from a 2:1 mixture of CH2Cl2/EtOH'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.319
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         12032
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0650P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                7549
_reflns_number_total             12032
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0112037_1.cif
_cod_data_source_block           compound1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4880.8(12)
_cod_database_code               4318233
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh Rh 0.72962(2) 0.155741(10) 0.322209(12) 0.03208(8) Uani 1 1 d . . .
P2 P 0.72506(7) 0.24714(3) 0.26424(4) 0.03543(19) Uani 1 1 d . . .
P1 P 0.53063(7) 0.15297(3) 0.30452(4) 0.03300(17) Uani 1 1 d . . .
N32 N 0.7657(2) 0.07882(11) 0.38936(13) 0.0365(6) Uani 1 1 d . . .
N31 N 0.8063(2) 0.02315(11) 0.37189(13) 0.0377(6) Uani 1 1 d . . .
N22 N 0.9139(2) 0.13550(11) 0.33924(13) 0.0381(6) Uani 1 1 d . . .
N21 N 0.9330(2) 0.07649(11) 0.31655(13) 0.0394(6) Uani 1 1 d . . .
N12 N 0.7368(3) 0.06308(12) 0.18497(14) 0.0475(7) Uani 1 1 d . . .
N11 N 0.7396(2) 0.02184(11) 0.23644(13) 0.0388(6) Uani 1 1 d . . .
C81 C 0.8440(3) 0.25485(14) 0.22850(17) 0.0405(7) Uani 1 1 d . . .
C82 C 0.8718(3) 0.20270(16) 0.19808(18) 0.0502(9) Uani 1 1 d . . .
H82 H 0.8358 0.1644 0.1994 0.060 Uiso 1 1 calc R . .
C83 C 0.9537(4) 0.20751(19) 0.1654(2) 0.0676(11) Uani 1 1 d . . .
H83 H 0.9719 0.1723 0.1449 0.081 Uiso 1 1 calc R . .
C84 C 1.0081(4) 0.2636(2) 0.1631(2) 0.0772(13) Uani 1 1 d . . .
H84 H 1.0621 0.2664 0.1408 0.093 Uiso 1 1 calc R . .
C85 C 0.9825(4) 0.3153(2) 0.1938(2) 0.0729(12) Uani 1 1 d . . .
H85 H 1.0205 0.3532 0.1930 0.087 Uiso 1 1 calc R . .
C86 C 0.8995(3) 0.31186(17) 0.2262(2) 0.0564(9) Uani 1 1 d . . .
H86 H 0.8813 0.3474 0.2462 0.068 Uiso 1 1 calc R . .
C91 C 0.7447(3) 0.31760(15) 0.31892(17) 0.0434(8) Uani 1 1 d . . .
C92 C 0.7096(3) 0.37715(15) 0.2900(2) 0.0561(9) Uani 1 1 d . . .
H92 H 0.6759 0.3820 0.2417 0.067 Uiso 1 1 calc R . .
C93 C 0.7246(4) 0.42861(19) 0.3325(3) 0.0785(13) Uani 1 1 d . . .
H93 H 0.7002 0.4678 0.3124 0.094 Uiso 1 1 calc R . .
C94 C 0.7745(5) 0.4231(2) 0.4033(3) 0.0856(15) Uani 1 1 d . . .
H94 H 0.7846 0.4584 0.4313 0.103 Uiso 1 1 calc R . .
C95 C 0.8100(4) 0.3653(2) 0.4337(2) 0.0758(12) Uani 1 1 d . . .
H95 H 0.8441 0.3616 0.4822 0.091 Uiso 1 1 calc R . .
C96 C 0.7950(3) 0.31222(17) 0.39156(19) 0.0548(9) Uani 1 1 d . . .
H96 H 0.8186 0.2732 0.4122 0.066 Uiso 1 1 calc R . .
C71 C 0.5946(3) 0.27211(13) 0.18611(16) 0.0396(7) Uani 1 1 d . . .
C72 C 0.5941(4) 0.27163(17) 0.11917(18) 0.0558(9) Uani 1 1 d . . .
H72 H 0.6638 0.2599 0.1126 0.067 Uiso 1 1 calc R . .
C73 C 0.4920(4) 0.2883(2) 0.0617(2) 0.0744(12) Uani 1 1 d . . .
H73 H 0.4947 0.2884 0.0174 0.089 Uiso 1 1 calc R . .
C74 C 0.3872(4) 0.30457(18) 0.0695(2) 0.0702(12) Uani 1 1 d . . .
H74 H 0.3182 0.3148 0.0307 0.084 Uiso 1 1 calc R . .
C75 C 0.3853(3) 0.30558(16) 0.1357(2) 0.0582(10) Uani 1 1 d . . .
H75 H 0.3148 0.3170 0.1417 0.070 Uiso 1 1 calc R . .
C76 C 0.4879(3) 0.28974(14) 0.19360(18) 0.0451(8) Uani 1 1 d . . .
H76 H 0.4855 0.2909 0.2380 0.054 Uiso 1 1 calc R . .
C51 C 0.4167(3) 0.13516(13) 0.21637(16) 0.0380(7) Uani 1 1 d . . .
C52 C 0.4456(3) 0.14093(15) 0.15812(18) 0.0499(9) Uani 1 1 d . . .
H52 H 0.5243 0.1509 0.1635 0.060 Uiso 1 1 calc R . .
C53 C 0.3582(4) 0.1320(2) 0.0921(2) 0.0721(12) Uani 1 1 d . . .
H53 H 0.3777 0.1370 0.0530 0.086 Uiso 1 1 calc R . .
C54 C 0.2427(4) 0.1156(2) 0.0837(2) 0.0802(13) Uani 1 1 d . . .
H54 H 0.1836 0.1110 0.0390 0.096 Uiso 1 1 calc R . .
C55 C 0.2132(4) 0.10592(18) 0.1420(2) 0.0660(11) Uani 1 1 d . . .
H55 H 0.1360 0.0930 0.1367 0.079 Uiso 1 1 calc R . .
C56 C 0.3014(3) 0.11594(15) 0.20756(19) 0.0501(8) Uani 1 1 d . . .
H56 H 0.2828 0.1096 0.2468 0.060 Uiso 1 1 calc R . .
C61 C 0.4641(3) 0.21991(13) 0.33398(16) 0.0383(7) Uani 1 1 d . . .
C62 C 0.5428(3) 0.25506(15) 0.38834(18) 0.0494(9) Uani 1 1 d . . .
H62 H 0.6248 0.2453 0.4065 0.059 Uiso 1 1 calc R . .
C63 C 0.5019(4) 0.30450(18) 0.4163(2) 0.0670(11) Uani 1 1 d . . .
H63 H 0.5566 0.3277 0.4528 0.080 Uiso 1 1 calc R . .
C64 C 0.3821(4) 0.31951(18) 0.3908(2) 0.0671(12) Uani 1 1 d . . .
H64 H 0.3546 0.3524 0.4103 0.081 Uiso 1 1 calc R . .
C65 C 0.3023(4) 0.28557(17) 0.3361(2) 0.0635(11) Uani 1 1 d . . .
H65 H 0.2205 0.2959 0.3184 0.076 Uiso 1 1 calc R . .
C66 C 0.3420(3) 0.23608(15) 0.30677(19) 0.0504(9) Uani 1 1 d . . .
H66 H 0.2874 0.2139 0.2692 0.060 Uiso 1 1 calc R . .
C41 C 0.4891(3) 0.08843(14) 0.35075(16) 0.0369(7) Uani 1 1 d . . .
C42 C 0.4381(3) 0.09668(16) 0.39964(16) 0.0456(8) Uani 1 1 d . . .
H42 H 0.4268 0.1370 0.4131 0.055 Uiso 1 1 calc R . .
C43 C 0.4035(3) 0.04575(19) 0.42894(19) 0.0594(10) Uani 1 1 d . . .
H43 H 0.3687 0.0521 0.4616 0.071 Uiso 1 1 calc R . .
C44 C 0.4201(3) -0.01405(19) 0.4102(2) 0.0662(11) Uani 1 1 d . . .
H44 H 0.3965 -0.0482 0.4299 0.079 Uiso 1 1 calc R . .
C45 C 0.4723(3) -0.02327(16) 0.3617(2) 0.0596(10) Uani 1 1 d . . .
H45 H 0.4847 -0.0637 0.3492 0.072 Uiso 1 1 calc R . .
C46 C 0.5058(3) 0.02771(14) 0.33202(18) 0.0467(8) Uani 1 1 d . . .
H46 H 0.5400 0.0213 0.2991 0.056 Uiso 1 1 calc R . .
C36 C 0.7492(3) 0.12647(18) 0.49419(17) 0.0553(9) Uani 1 1 d . . .
H36A H 0.7997 0.1613 0.4938 0.083 Uiso 1 1 calc R . .
H36B H 0.7661 0.1142 0.5417 0.083 Uiso 1 1 calc R . .
H36C H 0.6657 0.1384 0.4720 0.083 Uiso 1 1 calc R . .
C33 C 0.7740(3) 0.07324(15) 0.45572(16) 0.0413(7) Uani 1 1 d . . .
C34 C 0.8172(3) 0.01378(16) 0.47993(17) 0.0496(9) Uani 1 1 d . . .
H34 H 0.8294 -0.0025 0.5238 0.059 Uiso 1 1 calc R . .
C35 C 0.8382(3) -0.01618(15) 0.42776(17) 0.0435(8) Uani 1 1 d . . .
C37 C 0.8896(3) -0.08077(15) 0.4289(2) 0.0608(10) Uani 1 1 d . . .
H37A H 0.8378 -0.1039 0.3887 0.091 Uiso 1 1 calc R . .
H37B H 0.8946 -0.1021 0.4708 0.091 Uiso 1 1 calc R . .
H37C H 0.9689 -0.0775 0.4279 0.091 Uiso 1 1 calc R . .
C26 C 1.0411(3) 0.22767(16) 0.3967(2) 0.0601(10) Uani 1 1 d . . .
H26A H 0.9928 0.2586 0.3643 0.090 Uiso 1 1 calc R . .
H26B H 1.1251 0.2386 0.4116 0.090 Uiso 1 1 calc R . .
H26C H 1.0190 0.2261 0.4366 0.090 Uiso 1 1 calc R . .
C23 C 1.0201(3) 0.16503(14) 0.36184(18) 0.0441(8) Uani 1 1 d . . .
C24 C 1.1072(3) 0.12688(16) 0.35167(18) 0.0508(9) Uani 1 1 d . . .
H24 H 1.1879 0.1369 0.3622 0.061 Uiso 1 1 calc R . .
C25 C 1.0505(3) 0.07211(16) 0.32334(18) 0.0463(8) Uani 1 1 d . . .
C27 C 1.1015(3) 0.01527(18) 0.3017(2) 0.0670(11) Uani 1 1 d . . .
H27A H 1.1820 0.0241 0.3048 0.101 Uiso 1 1 calc R . .
H27B H 1.0514 0.0044 0.2543 0.101 Uiso 1 1 calc R . .
H27C H 1.1036 -0.0191 0.3321 0.101 Uiso 1 1 calc R . .
C16 C 0.6164(4) 0.0810(2) 0.05984(19) 0.0795(13) Uani 1 1 d . . .
H16A H 0.6356 0.1245 0.0701 0.119 Uiso 1 1 calc R . .
H16B H 0.5320 0.0768 0.0310 0.119 Uiso 1 1 calc R . .
H16C H 0.6639 0.0644 0.0355 0.119 Uiso 1 1 calc R . .
C13 C 0.6444(4) 0.04526(17) 0.12757(18) 0.0548(9) Uani 1 1 d . . .
C14 C 0.5872(3) -0.00800(16) 0.13999(18) 0.0535(9) Uani 1 1 d . . .
H14 H 0.5209 -0.0292 0.1083 0.064 Uiso 1 1 calc R . .
C15 C 0.6509(3) -0.02204(14) 0.20950(17) 0.0446(8) Uani 1 1 d . . .
C17 C 0.6384(3) -0.07692(15) 0.25103(19) 0.0563(9) Uani 1 1 d . . .
H17A H 0.7032 -0.1059 0.2576 0.084 Uiso 1 1 calc R . .
H17B H 0.5623 -0.0973 0.2264 0.084 Uiso 1 1 calc R . .
H17C H 0.6417 -0.0629 0.2958 0.084 Uiso 1 1 calc R . .
B B 0.8455(3) 0.02070(17) 0.3086(2) 0.0416(9) Uani 1 1 d . . .
H1 H 0.8968(15) -0.0232(12) 0.3123(2) 0.050 Uiso 1 1 calc R . .
O1 O 0.9256(4) 1.04367(18) 0.1217(2) 0.0620(12) Uiso 0.609(3) 1 d PG A 1
H1A H 0.8795 1.0502 0.1418 0.093 Uiso 0.609(3) 1 calc PR A 1
C100 C 0.8979(9) 0.9859(2) 0.0873(3) 0.104(3) Uiso 0.609(3) 1 d PG A 1
H10A H 0.9521 0.9789 0.0632 0.125 Uiso 0.609(3) 1 calc PR A 1
H10B H 0.8161 0.9876 0.0522 0.125 Uiso 0.609(3) 1 calc PR A 1
C101 C 0.9073(10) 0.9324(2) 0.1341(5) 0.124(4) Uiso 0.609(3) 1 d PG A 1
H10C H 0.8871 0.8945 0.1071 0.186 Uiso 0.609(3) 1 calc PR A 1
H10D H 0.8523 0.9382 0.1573 0.186 Uiso 0.609(3) 1 calc PR A 1
H10E H 0.9885 0.9296 0.1683 0.186 Uiso 0.609(3) 1 calc PR A 1
O2 O 0.9130(9) 0.9035(3) 0.1212(5) 0.089(3) Uiso 0.391(3) 1 d PG B 2
H2 H 0.9801 0.9059 0.1528 0.134 Uiso 0.391(3) 1 calc PR B 2
C102 C 0.8622(10) 0.9633(4) 0.1050(9) 0.155(7) Uiso 0.391(3) 1 d PG B 2
H10F H 0.8538 0.9807 0.1463 0.186 Uiso 0.391(3) 1 calc PR B 2
H10G H 0.7818 0.9597 0.0688 0.186 Uiso 0.391(3) 1 calc PR B 2
C103 C 0.9335(9) 1.0072(3) 0.0811(5) 0.054(2) Uiso 0.391(3) 1 d PG B 2
H10H H 0.8936 1.0471 0.0711 0.081 Uiso 0.391(3) 1 calc PR B 2
H10I H 0.9406 0.9910 0.0396 0.081 Uiso 0.391(3) 1 calc PR B 2
H10J H 1.0127 1.0120 0.1172 0.081 Uiso 0.391(3) 1 calc PR B 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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N32 Rh N22 78.13(9) . . ?
N32 Rh P1 91.33(7) . . ?
N22 Rh P1 166.84(7) . . ?
N32 Rh P2 168.79(7) . . ?
N22 Rh P2 94.28(7) . . ?
P1 Rh P2 97.23(3) . . ?
C91 P2 C71 99.64(14) . . ?
C91 P2 C81 103.69(14) . . ?
C71 P2 C81 98.44(15) . . ?
C91 P2 Rh 113.86(11) . . ?
C71 P2 Rh 123.37(10) . . ?
C81 P2 Rh 114.87(10) . . ?
C51 P1 C61 103.66(14) . . ?
C51 P1 C41 96.53(14) . . ?
C61 P1 C41 99.82(14) . . ?
C51 P1 Rh 119.71(10) . . ?
C61 P1 Rh 119.01(10) . . ?
C41 P1 Rh 114.19(10) . . ?
C33 N32 N31 107.2(2) . . ?
C33 N32 Rh 131.7(2) . . ?
N31 N32 Rh 120.42(17) . . ?
C35 N31 N32 108.7(2) . . ?
C35 N31 B 128.3(3) . . ?
N32 N31 B 119.9(2) . . ?
C23 N22 N21 106.8(2) . . ?
C23 N22 Rh 138.3(2) . . ?
N21 N22 Rh 114.76(18) . . ?
C25 N21 N22 108.9(2) . . ?
C25 N21 B 125.8(3) . . ?
N22 N21 B 122.6(2) . . ?
C13 N12 N11 105.8(3) . . ?
C15 N11 N12 109.9(3) . . ?
C15 N11 B 127.2(3) . . ?
N12 N11 B 121.8(3) . . ?
C82 C81 C86 119.2(3) . . ?
C82 C81 P2 117.9(2) . . ?
C86 C81 P2 122.8(3) . . ?
C81 C82 C83 119.9(3) . . ?
C81 C82 H82 120.0 . . ?
C83 C82 H82 120.0 . . ?
C84 C83 C82 120.8(4) . . ?
C84 C83 H83 119.6 . . ?
C82 C83 H83 119.6 . . ?
C85 C84 C83 119.8(4) . . ?
C85 C84 H84 120.1 . . ?
C83 C84 H84 120.1 . . ?
C84 C85 C86 120.5(4) . . ?
C84 C85 H85 119.8 . . ?
C86 C85 H85 119.8 . . ?
C81 C86 C85 119.8(4) . . ?
C81 C86 H86 120.1 . . ?
C85 C86 H86 120.1 . . ?
C96 C91 C92 118.1(3) . . ?
C96 C91 P2 119.7(3) . . ?
C92 C91 P2 122.2(3) . . ?
C93 C92 C91 120.7(4) . . ?
C93 C92 H92 119.7 . . ?
C91 C92 H92 119.7 . . ?
C94 C93 C92 121.0(4) . . ?
C94 C93 H93 119.5 . . ?
C92 C93 H93 119.5 . . ?
C93 C94 C95 120.1(4) . . ?
C93 C94 H94 119.9 . . ?
C95 C94 H94 119.9 . . ?
C94 C95 C96 120.0(4) . . ?
C94 C95 H95 120.0 . . ?
C96 C95 H95 120.0 . . ?
C91 C96 C95 120.2(4) . . ?
C91 C96 H96 119.9 . . ?
C95 C96 H96 119.9 . . ?
C72 C71 C76 117.4(3) . . ?
C72 C71 P2 123.6(3) . . ?
C76 C71 P2 118.9(2) . . ?
C71 C72 C73 121.4(4) . . ?
C71 C72 H72 119.3 . . ?
C73 C72 H72 119.3 . . ?
C74 C73 C72 120.6(4) . . ?
C74 C73 H73 119.7 . . ?
C72 C73 H73 119.7 . . ?
C73 C74 C75 119.1(4) . . ?
C73 C74 H74 120.4 . . ?
C75 C74 H74 120.4 . . ?
C74 C75 C76 120.4(4) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 H75 119.8 . . ?
C75 C76 C71 120.9(3) . . ?
C75 C76 H76 119.5 . . ?
C71 C76 H76 119.5 . . ?
C52 C51 C56 118.9(3) . . ?
C52 C51 P1 120.4(2) . . ?
C56 C51 P1 120.8(2) . . ?
C53 C52 C51 120.2(4) . . ?
C53 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C54 C53 C52 120.3(4) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 120.4(4) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 H54 119.8 . . ?
C56 C55 C54 118.4(4) . . ?
C56 C55 H55 120.8 . . ?
C54 C55 H55 120.8 . . ?
C55 C56 C51 121.6(4) . . ?
C55 C56 H56 119.2 . . ?
C51 C56 H56 119.2 . . ?
C62 C61 C66 118.5(3) . . ?
C62 C61 P1 116.4(2) . . ?
C66 C61 P1 125.2(2) . . ?
C61 C62 C63 121.1(4) . . ?
C61 C62 H62 119.4 . . ?
C63 C62 H62 119.4 . . ?
C64 C63 C62 120.5(4) . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C63 C64 C65 119.4(3) . . ?
C63 C64 H64 120.3 . . ?
C65 C64 H64 120.3 . . ?
C64 C65 C66 121.0(4) . . ?
C64 C65 H65 119.5 . . ?
C66 C65 H65 119.5 . . ?
C65 C66 C61 119.6(4) . . ?
C65 C66 H66 120.2 . . ?
C61 C66 H66 120.2 . . ?
C42 C41 C46 118.4(3) . . ?
C42 C41 P1 124.5(2) . . ?
C46 C41 P1 117.1(2) . . ?
C41 C42 C43 120.8(3) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C44 C43 C42 120.5(3) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 119.5(3) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C44 C45 C46 119.9(3) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C41 120.9(3) . . ?
C45 C46 H46 119.6 . . ?
C41 C46 H46 119.6 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N32 C33 C34 108.7(3) . . ?
N32 C33 C36 122.0(3) . . ?
C34 C33 C36 129.1(3) . . ?
C35 C34 C33 107.5(3) . . ?
C35 C34 H34 126.3 . . ?
C33 C34 H34 126.3 . . ?
C34 C35 N31 107.9(3) . . ?
C34 C35 C37 128.1(3) . . ?
N31 C35 C37 124.0(3) . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N22 C23 C24 109.7(3) . . ?
N22 C23 C26 123.6(3) . . ?
C24 C23 C26 126.6(3) . . ?
C25 C24 C23 106.7(3) . . ?
C25 C24 H24 126.7 . . ?
C23 C24 H24 126.7 . . ?
N21 C25 C24 108.0(3) . . ?
N21 C25 C27 123.1(3) . . ?
C24 C25 C27 128.9(3) . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N12 C13 C14 111.5(3) . . ?
N12 C13 C16 119.6(3) . . ?
C14 C13 C16 129.0(4) . . ?
C15 C14 C13 104.8(3) . . ?
C15 C14 H14 127.6 . . ?
C13 C14 H14 127.6 . . ?
N11 C15 C14 108.0(3) . . ?
N11 C15 C17 122.6(3) . . ?
C14 C15 C17 129.3(3) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N11 B N31 114.4(3) . . ?
N11 B N21 111.1(3) . . ?
N31 B N21 107.1(3) . . ?
N11 B H1 108.0 . . ?
N31 B H1 108.0 . . ?
N21 B H1 108.0 . . ?
C100 O1 H1A 109.5 . . ?
O1 C100 C101 114.0 . . ?
O1 C100 H10A 108.8 . . ?
C101 C100 H10A 108.8 . . ?
O1 C100 H10B 108.8 . . ?
C101 C100 H10B 108.8 . . ?
H10A C100 H10B 107.7 . . ?
C100 C101 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
H10C C101 H10D 109.5 . . ?
C100 C101 H10E 109.5 . . ?
H10C C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C102 O2 H2 109.5 . . ?
O2 C102 C103 114.0 . . ?
O2 C102 H10F 108.8 . . ?
C103 C102 H10F 108.8 . . ?
O2 C102 H10G 108.8 . . ?
C103 C102 H10G 108.8 . . ?
H10F C102 H10G 107.7 . . ?
C102 C103 H10H 109.5 . . ?
C102 C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C102 C103 H10J 109.5 . . ?
H10H C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh N32 2.086(2) . ?
Rh N22 2.140(2) . ?
Rh P1 2.2669(9) . ?
Rh P2 2.2803(8) . ?
P2 C91 1.843(3) . ?
P2 C71 1.843(3) . ?
P2 C81 1.846(3) . ?
P1 C51 1.849(3) . ?
P1 C61 1.849(3) . ?
P1 C41 1.851(3) . ?
N32 C33 1.343(4) . ?
N32 N31 1.384(3) . ?
N31 C35 1.359(4) . ?
N31 B 1.552(4) . ?
N22 C23 1.332(4) . ?
N22 N21 1.394(3) . ?
N21 C25 1.362(4) . ?
N21 B 1.552(4) . ?
N12 C13 1.331(4) . ?
N12 N11 1.372(3) . ?
N11 C15 1.364(4) . ?
N11 B 1.543(5) . ?
C81 C82 1.381(4) . ?
C81 C86 1.396(4) . ?
C82 C83 1.391(4) . ?
C82 H82 0.9300 . ?
C83 C84 1.373(5) . ?
C83 H83 0.9300 . ?
C84 C85 1.365(6) . ?
C84 H84 0.9300 . ?
C85 C86 1.398(5) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C91 C96 1.392(4) . ?
C91 C92 1.399(5) . ?
C92 C93 1.374(5) . ?
C92 H92 0.9300 . ?
C93 C94 1.358(6) . ?
C93 H93 0.9300 . ?
C94 C95 1.375(6) . ?
C94 H94 0.9300 . ?
C95 C96 1.399(5) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C71 C72 1.382(4) . ?
C71 C76 1.396(4) . ?
C72 C73 1.384(5) . ?
C72 H72 0.9300 . ?
C73 C74 1.370(6) . ?
C73 H73 0.9300 . ?
C74 C75 1.378(5) . ?
C74 H74 0.9300 . ?
C75 C76 1.388(5) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C51 C52 1.381(4) . ?
C51 C56 1.383(4) . ?
C52 C53 1.378(5) . ?
C52 H52 0.9300 . ?
C53 C54 1.371(6) . ?
C53 H53 0.9300 . ?
C54 C55 1.394(6) . ?
C54 H54 0.9300 . ?
C55 C56 1.379(5) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C62 1.379(4) . ?
C61 C66 1.393(4) . ?
C62 C63 1.381(5) . ?
C62 H62 0.9300 . ?
C63 C64 1.362(6) . ?
C63 H63 0.9300 . ?
C64 C65 1.374(6) . ?
C64 H64 0.9300 . ?
C65 C66 1.390(5) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C41 C42 1.378(4) . ?
C41 C46 1.390(4) . ?
C42 C43 1.384(4) . ?
C42 H42 0.9300 . ?
C43 C44 1.371(5) . ?
C43 H43 0.9300 . ?
C44 C45 1.383(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.383(4) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C36 C33 1.482(5) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C33 C34 1.390(4) . ?
C34 C35 1.359(5) . ?
C34 H34 0.9300 . ?
C35 C37 1.506(5) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C26 C23 1.495(5) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C23 C24 1.401(4) . ?
C24 C25 1.366(5) . ?
C24 H24 0.9300 . ?
C25 C27 1.502(5) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C16 C13 1.516(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C13 C14 1.401(5) . ?
C14 C15 1.377(5) . ?
C14 H14 0.9300 . ?
C15 C17 1.494(4) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
B H1 1.1069 . ?
O1 C100 1.3996 . ?
O1 H1A 0.8200 . ?
C100 C101 1.4737 . ?
C100 H10A 0.9700 . ?
C100 H10B 0.9700 . ?
C101 H10C 0.9600 . ?
C101 H10D 0.9600 . ?
C101 H10E 0.9600 . ?
O2 C102 1.3996 . ?
O2 H2 0.8200 . ?
C102 C103 1.4737 . ?
C102 H10F 0.9700 . ?
C102 H10G 0.9700 . ?
C103 H10H 0.9600 . ?
C103 H10I 0.9600 . ?
C103 H10J 0.9600 . ?
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
N32 Rh P2 C91 -52.8(4) . . . . ?
N22 Rh P2 C91 -99.68(13) . . . . ?
P1 Rh P2 C91 86.71(12) . . . . ?
N32 Rh P2 C71 -173.5(4) . . . . ?
N22 Rh P2 C71 139.62(14) . . . . ?
P1 Rh P2 C71 -33.99(12) . . . . ?
N32 Rh P2 C81 66.6(4) . . . . ?
N22 Rh P2 C81 19.69(14) . . . . ?
P1 Rh P2 C81 -153.93(12) . . . . ?
N32 Rh P1 C51 -115.14(13) . . . . ?
N22 Rh P1 C51 -78.7(3) . . . . ?
P2 Rh P1 C51 72.12(11) . . . . ?
N32 Rh P1 C61 116.00(13) . . . . ?
N22 Rh P1 C61 152.4(3) . . . . ?
P2 Rh P1 C61 -56.74(12) . . . . ?
N32 Rh P1 C41 -1.57(13) . . . . ?
N22 Rh P1 C41 34.9(3) . . . . ?
P2 Rh P1 C41 -174.31(11) . . . . ?
N22 Rh N32 C33 112.8(3) . . . . ?
P1 Rh N32 C33 -75.1(3) . . . . ?
P2 Rh N32 C33 64.8(5) . . . . ?
N22 Rh N32 N31 -56.2(2) . . . . ?
P1 Rh N32 N31 115.8(2) . . . . ?
P2 Rh N32 N31 -104.3(4) . . . . ?
C33 N32 N31 C35 0.4(3) . . . . ?
Rh N32 N31 C35 171.92(19) . . . . ?
C33 N32 N31 B -161.3(3) . . . . ?
Rh N32 N31 B 10.1(3) . . . . ?
N32 Rh N22 C23 -124.2(3) . . . . ?
P1 Rh N22 C23 -161.6(2) . . . . ?
P2 Rh N22 C23 47.4(3) . . . . ?
N32 Rh N22 N21 61.77(19) . . . . ?
P1 Rh N22 N21 24.4(4) . . . . ?
P2 Rh N22 N21 -126.57(18) . . . . ?
C23 N22 N21 C25 -2.3(3) . . . . ?
Rh N22 N21 C25 173.49(19) . . . . ?
C23 N22 N21 B 160.1(3) . . . . ?
Rh N22 N21 B -24.1(3) . . . . ?
C13 N12 N11 C15 1.8(3) . . . . ?
C13 N12 N11 B 170.9(3) . . . . ?
C91 P2 C81 C82 165.5(3) . . . . ?
C71 P2 C81 C82 -92.4(3) . . . . ?
Rh P2 C81 C82 40.6(3) . . . . ?
C91 P2 C81 C86 -19.6(3) . . . . ?
C71 P2 C81 C86 82.6(3) . . . . ?
Rh P2 C81 C86 -144.5(3) . . . . ?
C86 C81 C82 C83 -0.3(5) . . . . ?
P2 C81 C82 C83 174.8(3) . . . . ?
C81 C82 C83 C84 0.2(6) . . . . ?
C82 C83 C84 C85 0.6(7) . . . . ?
C83 C84 C85 C86 -1.3(7) . . . . ?
C82 C81 C86 C85 -0.4(6) . . . . ?
P2 C81 C86 C85 -175.3(3) . . . . ?
C84 C85 C86 C81 1.2(7) . . . . ?
C71 P2 C91 C96 152.1(3) . . . . ?
C81 P2 C91 C96 -106.7(3) . . . . ?
Rh P2 C91 C96 18.9(3) . . . . ?
C71 P2 C91 C92 -27.3(3) . . . . ?
C81 P2 C91 C92 73.9(3) . . . . ?
Rh P2 C91 C92 -160.5(2) . . . . ?
C96 C91 C92 C93 0.0(5) . . . . ?
P2 C91 C92 C93 179.4(3) . . . . ?
C91 C92 C93 C94 0.5(7) . . . . ?
C92 C93 C94 C95 -0.5(7) . . . . ?
C93 C94 C95 C96 0.1(7) . . . . ?
C92 C91 C96 C95 -0.4(5) . . . . ?
P2 C91 C96 C95 -179.8(3) . . . . ?
C94 C95 C96 C91 0.4(6) . . . . ?
C91 P2 C71 C72 125.7(3) . . . . ?
C81 P2 C71 C72 20.1(3) . . . . ?
Rh P2 C71 C72 -107.2(3) . . . . ?
C91 P2 C71 C76 -57.5(3) . . . . ?
C81 P2 C71 C76 -163.1(2) . . . . ?
Rh P2 C71 C76 69.5(3) . . . . ?
C76 C71 C72 C73 0.3(5) . . . . ?
P2 C71 C72 C73 177.2(3) . . . . ?
C71 C72 C73 C74 -1.4(6) . . . . ?
C72 C73 C74 C75 1.5(7) . . . . ?
C73 C74 C75 C76 -0.6(6) . . . . ?
C74 C75 C76 C71 -0.4(5) . . . . ?
C72 C71 C76 C75 0.5(5) . . . . ?
P2 C71 C76 C75 -176.4(3) . . . . ?
C61 P1 C51 C52 117.2(3) . . . . ?
C41 P1 C51 C52 -141.0(3) . . . . ?
Rh P1 C51 C52 -18.3(3) . . . . ?
C61 P1 C51 C56 -62.8(3) . . . . ?
C41 P1 C51 C56 39.0(3) . . . . ?
Rh P1 C51 C56 161.7(2) . . . . ?
C56 C51 C52 C53 4.6(5) . . . . ?
P1 C51 C52 C53 -175.4(3) . . . . ?
C51 C52 C53 C54 -1.7(6) . . . . ?
C52 C53 C54 C55 -2.1(7) . . . . ?
C53 C54 C55 C56 2.9(6) . . . . ?
C54 C55 C56 C51 0.0(5) . . . . ?
C52 C51 C56 C55 -3.7(5) . . . . ?
P1 C51 C56 C55 176.2(3) . . . . ?
C51 P1 C61 C62 -161.4(2) . . . . ?
C41 P1 C61 C62 99.3(3) . . . . ?
Rh P1 C61 C62 -25.5(3) . . . . ?
C51 P1 C61 C66 20.2(3) . . . . ?
C41 P1 C61 C66 -79.1(3) . . . . ?
Rh P1 C61 C66 156.1(2) . . . . ?
C66 C61 C62 C63 1.2(5) . . . . ?
P1 C61 C62 C63 -177.3(3) . . . . ?
C61 C62 C63 C64 0.3(6) . . . . ?
C62 C63 C64 C65 -1.0(6) . . . . ?
C63 C64 C65 C66 0.3(6) . . . . ?
C64 C65 C66 C61 1.1(5) . . . . ?
C62 C61 C66 C65 -1.9(5) . . . . ?
P1 C61 C66 C65 176.5(3) . . . . ?
C51 P1 C41 C42 -112.9(3) . . . . ?
C61 P1 C41 C42 -7.8(3) . . . . ?
Rh P1 C41 C42 120.3(3) . . . . ?
C51 P1 C41 C46 64.0(3) . . . . ?
C61 P1 C41 C46 169.1(2) . . . . ?
Rh P1 C41 C46 -62.8(3) . . . . ?
C46 C41 C42 C43 -0.5(5) . . . . ?
P1 C41 C42 C43 176.4(3) . . . . ?
C41 C42 C43 C44 0.5(5) . . . . ?
C42 C43 C44 C45 0.2(6) . . . . ?
C43 C44 C45 C46 -0.8(6) . . . . ?
C44 C45 C46 C41 0.7(5) . . . . ?
C42 C41 C46 C45 -0.1(5) . . . . ?
P1 C41 C46 C45 -177.2(3) . . . . ?
N31 N32 C33 C34 -1.3(3) . . . . ?
Rh N32 C33 C34 -171.4(2) . . . . ?
N31 N32 C33 C36 174.0(3) . . . . ?
Rh N32 C33 C36 3.9(4) . . . . ?
N32 C33 C34 C35 1.7(4) . . . . ?
C36 C33 C34 C35 -173.2(3) . . . . ?
C33 C34 C35 N31 -1.4(4) . . . . ?
C33 C34 C35 C37 177.6(3) . . . . ?
N32 N31 C35 C34 0.6(3) . . . . ?
B N31 C35 C34 160.4(3) . . . . ?
N32 N31 C35 C37 -178.5(3) . . . . ?
B N31 C35 C37 -18.6(5) . . . . ?
N21 N22 C23 C24 2.2(4) . . . . ?
Rh N22 C23 C24 -172.1(2) . . . . ?
N21 N22 C23 C26 -174.1(3) . . . . ?
Rh N22 C23 C26 11.6(5) . . . . ?
N22 C23 C24 C25 -1.4(4) . . . . ?
C26 C23 C24 C25 174.9(3) . . . . ?
N22 N21 C25 C24 1.5(3) . . . . ?
B N21 C25 C24 -160.2(3) . . . . ?
N22 N21 C25 C27 -178.1(3) . . . . ?
B N21 C25 C27 20.1(5) . . . . ?
C23 C24 C25 N21 -0.1(4) . . . . ?
C23 C24 C25 C27 179.5(3) . . . . ?
N11 N12 C13 C14 -1.1(4) . . . . ?
N11 N12 C13 C16 -179.4(3) . . . . ?
N12 C13 C14 C15 0.1(4) . . . . ?
C16 C13 C14 C15 178.1(4) . . . . ?
N12 N11 C15 C14 -1.8(4) . . . . ?
B N11 C15 C14 -170.2(3) . . . . ?
N12 N11 C15 C17 174.0(3) . . . . ?
B N11 C15 C17 5.7(5) . . . . ?
C13 C14 C15 N11 1.1(4) . . . . ?
C13 C14 C15 C17 -174.4(3) . . . . ?
C15 N11 B N31 -63.6(4) . . . . ?
N12 N11 B N31 129.3(3) . . . . ?
C15 N11 B N21 174.9(3) . . . . ?
N12 N11 B N21 7.8(4) . . . . ?
C35 N31 B N11 127.4(3) . . . . ?
N32 N31 B N11 -74.7(3) . . . . ?
C35 N31 B N21 -108.9(3) . . . . ?
N32 N31 B N21 48.9(4) . . . . ?
C25 N21 B N11 -115.2(3) . . . . ?
N22 N21 B N11 85.4(3) . . . . ?
C25 N21 B N31 119.2(3) . . . . ?
N22 N21 B N31 -40.2(4) . . . . ?
