#------------------------------------------------------------------------------
#$Date: 2017-07-05 05:16:56 +0300 (Wed, 05 Jul 2017) $
#$Revision: 198447 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/35/7043512.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_7043512
loop_
_publ_author_name
'Fujisawa, Kiyoshi'
'Soma, Shoko'
'Kurihara, Haruka'
'Dong, Hai Thanh'
'Bilodeau, Max'
'Lehnert, Nicolai'
_publ_section_title
;
 A Cobalt-Nitrosyl Complex with a Hindered Hydrotris(pyrazolyl)borate
 Coligand: Detailed Electronic Structure, and Reactivity towards Dioxygen
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01565H
_journal_year                    2017
_chemical_formula_moiety         'C30 H52 B Co N7 O3'
_chemical_formula_sum            'C30 H52 B Co N7 O3'
_chemical_formula_weight         628.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2017-06-28 deposited with the CCDC.
2017-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 106.857(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.4152(13)
_cell_length_b                   17.442(2)
_cell_length_c                   10.6017(16)
_cell_measurement_reflns_used    5892
_cell_measurement_temperature    138
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     1666.2(4)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_molecular_graphics    'CrystalStructure 4.2.2'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL Version 2014/3 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      138
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            27761
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.444
_diffrn_reflns_theta_min         3.080
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.556
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             674.00
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     211
_refine_ls_number_reflns         3927
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0356P)²+0.7748P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0727
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3601
_reflns_number_total             3927
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c7dt01565h2.cif
_cod_data_source_block           L3CoNO3
_cod_database_code               7043512
_shelxl_version_number           2014-3
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
3 -X,-Y,-Z
4 +X,-1/2-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 0.43388(2) 0.2500 -0.09493(2) 0.01264(7) Uani 1 2 d S T P
O41 O 0.44543(14) 0.2500 -0.28276(12) 0.0226(3) Uani 1 2 d S T P
O42 O 0.22234(14) 0.2500 -0.26859(12) 0.0202(3) Uani 1 2 d S T P
O43 O 0.25912(17) 0.2500 -0.46272(13) 0.0319(3) Uani 1 2 d S T P
N11 N 0.36548(10) 0.34217(5) -0.00632(9) 0.01363(19) Uani 1 1 d . . .
N12 N 0.38104(10) 0.32311(5) 0.12361(9) 0.01298(19) Uani 1 1 d . . .
N21 N 0.63742(15) 0.2500 0.04073(13) 0.0142(3) Uani 1 2 d S T P
N22 N 0.62350(15) 0.2500 0.16700(13) 0.0135(3) Uani 1 2 d S T P
N41 N 0.30456(17) 0.2500 -0.34316(14) 0.0193(3) Uani 1 2 d S T P
C10 C 0.38175(15) 0.44029(8) -0.22751(13) 0.0247(3) Uani 1 1 d . . .
H10A H 0.3561 0.4688 -0.3107 0.030 Uiso 1 1 calc R U .
H10B H 0.4783 0.4578 -0.1712 0.030 Uiso 1 1 calc R U .
H10C H 0.3869 0.3854 -0.2456 0.030 Uiso 1 1 calc R U .
C11 C 0.11071(15) 0.42893(8) -0.24634(13) 0.0255(3) Uani 1 1 d . . .
H11A H 0.0881 0.4567 -0.3301 0.031 Uiso 1 1 calc R U .
H11B H 0.1119 0.3737 -0.2631 0.031 Uiso 1 1 calc R U .
H11C H 0.0347 0.4403 -0.2025 0.031 Uiso 1 1 calc R U .
C12 C 0.25861(19) 0.54043(8) -0.13037(14) 0.0318(3) Uani 1 1 d . . .
H12A H 0.2362 0.5686 -0.2138 0.038 Uiso 1 1 calc R U .
H12B H 0.1815 0.5508 -0.0873 0.038 Uiso 1 1 calc R U .
H12C H 0.3551 0.5570 -0.0727 0.038 Uiso 1 1 calc R U .
C13 C 0.26341(14) 0.45405(7) -0.15747(11) 0.0185(2) Uani 1 1 d . . .
C14 C 0.29824(12) 0.41089(7) -0.02762(11) 0.0151(2) Uani 1 1 d . . .
C15 C 0.26742(13) 0.43503(7) 0.08759(12) 0.0181(2) Uani 1 1 d . . .
H15 H 0.2194 0.4812 0.0994 0.022 Uiso 1 1 calc R U .
C16 C 0.32047(13) 0.37860(7) 0.18088(11) 0.0154(2) Uani 1 1 d . . .
C17 C 0.31750(14) 0.37471(7) 0.32218(11) 0.0186(2) Uani 1 1 d . . .
H17 H 0.2970 0.3204 0.3417 0.022 Uiso 1 1 calc R U .
C18 C 0.19348(17) 0.42466(9) 0.34356(14) 0.0309(3) Uani 1 1 d . . .
H18A H 0.1937 0.4212 0.4359 0.037 Uiso 1 1 calc R U .
H18B H 0.2094 0.4780 0.3221 0.037 Uiso 1 1 calc R U .
H18C H 0.0977 0.4068 0.2864 0.037 Uiso 1 1 calc R U .
C19 C 0.46658(16) 0.39790(8) 0.41785(12) 0.0265(3) Uani 1 1 d . . .
H19A H 0.4607 0.3947 0.5085 0.032 Uiso 1 1 calc R U .
H19B H 0.5443 0.3633 0.4073 0.032 Uiso 1 1 calc R U .
H19C H 0.4903 0.4506 0.3991 0.032 Uiso 1 1 calc R U .
C20 C 0.78615(15) 0.17785(8) -0.15115(13) 0.0242(3) Uani 1 1 d . . .
H20A H 0.8236 0.1782 -0.2283 0.029 Uiso 1 1 calc R U .
H20B H 0.8228 0.1321 -0.0979 0.029 Uiso 1 1 calc R U .
H20C H 0.6774 0.1772 -0.1802 0.029 Uiso 1 1 calc R U .
C21 C 1.0108(2) 0.2500 -0.0234(2) 0.0270(4) Uani 1 2 d S T P
H21A H 1.0476 0.2500 -0.1009 0.032 Uiso 1 2 calc R U P
H21B H 1.0468 0.2959 0.0296 0.032 Uiso 0.5 1 calc R U P
H21C H 1.0468 0.2041 0.0296 0.032 Uiso 0.5 1 calc R U P
C23 C 0.84052(19) 0.2500 -0.06803(17) 0.0180(3) Uani 1 2 d S T P
C24 C 0.78303(18) 0.2500 0.05169(16) 0.0150(3) Uani 1 2 d S T P
C25 C 0.86318(18) 0.2500 0.18526(17) 0.0178(3) Uani 1 2 d S T P
H25 H 0.9681 0.2500 0.2210 0.021 Uiso 1 2 calc R U P
C26 C 0.75948(18) 0.2500 0.25537(16) 0.0159(3) Uani 1 2 d S T P
C27 C 0.78868(19) 0.2500 0.40297(16) 0.0197(3) Uani 1 2 d S T P
H27 H 0.6910 0.2500 0.4226 0.024 Uiso 1 2 calc R U P
C28 C 0.87437(16) 0.17804(9) 0.46432(13) 0.0313(3) Uani 1 1 d . . .
H28A H 0.8921 0.1792 0.5601 0.038 Uiso 1 1 calc R U .
H28B H 0.8162 0.1324 0.4279 0.038 Uiso 1 1 calc R U .
H28C H 0.9696 0.1765 0.4443 0.038 Uiso 1 1 calc R U .
B1 B 0.46594(19) 0.2500 0.18680(17) 0.0129(3) Uani 1 2 d S T P
H1 H 0.4760 0.2500 0.2833 0.015 Uiso 1 2 calc R U P
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Co Co 0.3494 0.9721
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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
O41 Co1 N21 112.75(5) . .
O41 Co1 N11 124.20(3) . .
N21 Co1 N11 91.87(4) . .
O41 Co1 N11 124.20(3) . 4_565
N21 Co1 N11 91.87(4) . 4_565
N11 Co1 N11 102.78(5) . 4_565
O41 Co1 O42 59.41(5) . .
N21 Co1 O42 172.15(5) . .
N11 Co1 O42 93.02(3) . .
N11 Co1 O42 93.02(3) 4_565 .
N41 O41 Co1 98.44(9) . .
N41 O42 Co1 87.42(9) . .
C14 N11 N12 106.89(9) . .
C14 N11 Co1 144.58(8) . .
N12 N11 Co1 108.07(7) . .
C16 N12 N11 109.77(9) . .
C16 N12 B1 128.75(10) . .
N11 N12 B1 121.37(10) . .
C24 N21 N22 107.31(13) . .
C24 N21 Co1 142.20(11) . .
N22 N21 Co1 110.49(10) . .
C26 N22 N21 109.58(13) . .
C26 N22 B1 130.95(13) . .
N21 N22 B1 119.47(12) . .
O43 N41 O42 124.18(16) . .
O43 N41 O41 121.08(15) . .
O42 N41 O41 114.74(13) . .
C13 C10 H10A 109.5 . .
C13 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C13 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C13 C11 H11A 109.5 . .
C13 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C13 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C13 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C10 111.52(10) . .
C14 C13 C11 109.40(10) . .
C10 C13 C11 110.00(10) . .
C14 C13 C12 109.07(10) . .
C10 C13 C12 108.07(11) . .
C11 C13 C12 108.73(11) . .
N11 C14 C15 109.18(10) . .
N11 C14 C13 124.18(10) . .
C15 C14 C13 126.65(11) . .
C16 C15 C14 106.68(10) . .
C16 C15 H15 126.7 . .
C14 C15 H15 126.7 . .
N12 C16 C15 107.46(10) . .
N12 C16 C17 123.04(10) . .
C15 C16 C17 129.50(11) . .
C16 C17 C18 110.94(10) . .
C16 C17 C19 111.67(10) . .
C18 C17 C19 110.20(11) . .
C16 C17 H17 108.0 . .
C18 C17 H17 108.0 . .
C19 C17 H17 108.0 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C23 C20 H20A 109.5 . .
C23 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C23 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C23 C21 H21A 109.5 . .
C23 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C23 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C24 C23 C21 109.66(14) . .
C24 C23 C20 109.84(9) . .
C21 C23 C20 108.75(9) . .
C24 C23 C20 109.84(9) . 4_565
C21 C23 C20 108.75(9) . 4_565
C20 C23 C20 109.98(15) . 4_565
N21 C24 C25 109.00(14) . .
N21 C24 C23 122.07(14) . .
C25 C24 C23 128.94(15) . .
C26 C25 C24 106.59(14) . .
C26 C25 H25 126.7 . .
C24 C25 H25 126.7 . .
N22 C26 C25 107.53(14) . .
N22 C26 C27 124.83(15) . .
C25 C26 C27 127.64(15) . .
C26 C27 C28 110.84(10) . 4_565
C26 C27 C28 110.84(10) . .
C28 C27 C28 110.10(16) 4_565 .
C26 C27 H27 108.3 . .
C28 C27 H27 108.3 4_565 .
C28 C27 H27 108.3 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N12 B1 N12 110.68(13) . 4_565
N12 B1 N22 109.50(9) . .
N12 B1 N22 109.50(9) 4_565 .
N12 B1 H1 109.0 . .
N12 B1 H1 109.0 4_565 .
N22 B1 H1 109.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O41 2.0256(13) .
Co1 N21 2.0353(14) .
Co1 N11 2.0573(10) .
Co1 N11 2.0573(10) 4_565
Co1 O42 2.2869(13) .
O41 N41 1.295(2) .
O42 N41 1.2566(19) .
O43 N41 1.2146(19) .
N11 C14 1.3437(15) .
N11 N12 1.3828(13) .
N12 C16 1.3533(15) .
N12 B1 1.5503(13) .
N21 C24 1.342(2) .
N21 N22 1.3824(18) .
N22 C26 1.350(2) .
N22 B1 1.557(2) .
C10 C13 1.5265(18) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C13 1.5365(17) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.5370(18) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.5190(16) .
C14 C15 1.3996(16) .
C15 C16 1.3820(17) .
C15 H15 0.9500 .
C16 C17 1.5078(16) .
C17 C18 1.5256(17) .
C17 C19 1.5287(18) .
C17 H17 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C23 1.5365(16) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C23 1.535(2) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C23 C24 1.517(2) .
C23 C20 1.5365(16) 4_565
C24 C25 1.398(2) .
C25 C26 1.388(2) .
C25 H25 0.9500 .
C26 C27 1.508(2) .
C27 C28 1.5312(17) 4_565
C27 C28 1.5312(17) .
C27 H27 1.0000 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
B1 N12 1.5503(13) 4_565
B1 H1 1.0000 .
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_4
C14 N11 N12 C16 1.59(12) . .
Co1 N11 N12 C16 -172.62(7) . .
C14 N11 N12 B1 -175.02(10) . .
Co1 N11 N12 B1 10.77(12) . .
C24 N21 N22 C26 0.000(0) . .
Co1 N21 N22 C26 180.000(0) . .
C24 N21 N22 B1 180.000(0) . .
Co1 N21 N22 B1 0.000(0) . .
Co1 O42 N41 O43 180.000(0) . .
Co1 O42 N41 O41 0.000(0) . .
Co1 O41 N41 O43 180.000(0) . .
Co1 O41 N41 O42 0.000(0) . .
N12 N11 C14 C15 -1.44(12) . .
Co1 N11 C14 C15 169.04(10) . .
N12 N11 C14 C13 178.36(10) . .
Co1 N11 C14 C13 -11.2(2) . .
C10 C13 C14 N11 -33.85(16) . .
C11 C13 C14 N11 88.06(14) . .
C12 C13 C14 N11 -153.13(12) . .
C10 C13 C14 C15 145.92(12) . .
C11 C13 C14 C15 -92.17(14) . .
C12 C13 C14 C15 26.64(17) . .
N11 C14 C15 C16 0.79(14) . .
C13 C14 C15 C16 -179.01(11) . .
N11 N12 C16 C15 -1.10(13) . .
B1 N12 C16 C15 175.19(11) . .
N11 N12 C16 C17 179.24(10) . .
B1 N12 C16 C17 -4.47(18) . .
C14 C15 C16 N12 0.20(13) . .
C14 C15 C16 C17 179.83(12) . .
N12 C16 C17 C18 -156.96(12) . .
C15 C16 C17 C18 23.46(18) . .
N12 C16 C17 C19 79.68(14) . .
C15 C16 C17 C19 -99.90(15) . .
N22 N21 C24 C25 0.000(0) . .
Co1 N21 C24 C25 180.000(0) . .
N22 N21 C24 C23 180.000(0) . .
Co1 N21 C24 C23 0.000(0) . .
C21 C23 C24 N21 180.0 . .
C20 C23 C24 N21 -60.55(10) . .
C20 C23 C24 N21 60.55(10) 4_565 .
C21 C23 C24 C25 0.0 . .
C20 C23 C24 C25 119.45(10) . .
C20 C23 C24 C25 -119.45(10) 4_565 .
N21 C24 C25 C26 0.000(0) . .
C23 C24 C25 C26 180.000(0) . .
N21 N22 C26 C25 0.000(0) . .
B1 N22 C26 C25 180.000(0) . .
N21 N22 C26 C27 180.000(0) . .
B1 N22 C26 C27 0.000(0) . .
C24 C25 C26 N22 0.000(0) . .
C24 C25 C26 C27 180.000(0) . .
N22 C26 C27 C28 -118.72(11) . 4_565
C25 C26 C27 C28 61.28(11) . 4_565
N22 C26 C27 C28 118.72(11) . .
C25 C26 C27 C28 -61.28(11) . .
C16 N12 B1 N12 116.85(12) . 4_565
N11 N12 B1 N12 -67.24(16) . 4_565
C16 N12 B1 N22 -122.35(13) . .
N11 N12 B1 N22 53.56(14) . .
C26 N22 B1 N12 119.24(9) . .
N21 N22 B1 N12 -60.76(9) . .
C26 N22 B1 N12 -119.24(9) . 4_565
N21 N22 B1 N12 60.76(9) . 4_565
