#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/09/2210941.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2210941
loop_
_publ_author_name
'Qing Wang'
'Xiao-Yang Qiu'
_publ_section_title
;
 Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)
;
_journal_coeditor_code           CI2197
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3000
_journal_page_last               m3001
_journal_paper_doi               10.1107/S1600536806043364
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co (C13 H15 Br N O)2]'
_chemical_formula_moiety         'C26 H30 Br2 Co N2 O2'
_chemical_formula_sum            'C26 H30 Br2 Co N2 O2'
_chemical_formula_weight         621.27
_chemical_name_systematic
;
Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.9790(10)
_cell_length_b                   13.6090(10)
_cell_length_c                   25.1640(10)
_cell_measurement_reflns_used    6552
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      2.5
_cell_volume                     5129.7(5)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       ω
_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  0.0698
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            56148
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.810
_exptl_absorpt_correction_T_max  0.6372
_exptl_absorpt_correction_T_min  0.5471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.098
_refine_diff_density_min         -0.732
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5883
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0522
_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)+(0.0787P)²+6.1695P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1400
_refine_ls_wR_factor_ref         0.1655
_reflns_number_gt                3651
_reflns_number_total             5883
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci2197.cif
_cod_data_source_block           I
_cod_database_code               2210941
_cod_database_fobs_code          2210941
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Co Co1 0.14084(4) 0.41987(4) 0.19260(2) 0.04137(18) Uani d . 1
Br Br1 0.32262(5) 0.74268(5) 0.39878(2) 0.0776(2) Uani d . 1
Br Br2 -0.11584(6) 0.10571(6) 0.01023(3) 0.0957(3) Uani d . 1
O O1 0.2185(2) 0.4107(2) 0.25286(16) 0.0604(9) Uani d . 1
O O2 0.1593(2) 0.3339(3) 0.13312(16) 0.0652(10) Uani d . 1
N N1 0.1718(3) 0.5618(3) 0.17777(16) 0.0526(10) Uani d . 1
N N2 0.0149(3) 0.3752(3) 0.20755(15) 0.0497(9) Uani d . 1
C C1 0.2365(3) 0.5867(3) 0.26566(19) 0.0497(11) Uani d . 1
C C2 0.2393(3) 0.4869(4) 0.2828(2) 0.0544(12) Uani d . 1
C C3 0.2709(4) 0.4697(4) 0.3351(2) 0.0656(14) Uani d . 1
H H3 0.2757 0.4053 0.3470 0.079 Uiso calc R 1
C C4 0.2946(4) 0.5443(5) 0.3684(2) 0.0645(14) Uani d . 1
H H4 0.319(4) 0.534(4) 0.405(2) 0.077 Uiso d . 1
C C5 0.2900(4) 0.6409(4) 0.3510(2) 0.0574(13) Uani d . 1
C C6 0.2636(3) 0.6617(4) 0.2998(2) 0.0545(12) Uani d . 1
H H6 0.2640 0.7264 0.2878 0.065 Uiso calc R 1
C C7 0.2088(3) 0.6170(4) 0.21283(19) 0.0505(11) Uani d . 1
H H7 0.2187 0.6823 0.2036 0.061 Uiso calc R 1
C C8 0.1539(3) 0.6039(4) 0.1244(2) 0.0554(13) Uani d . 1
H H8 0.1631 0.6752 0.1260 0.066 Uiso calc R 1
C C9 0.0573(4) 0.5841(4) 0.1098(2) 0.0602(13) Uani d . 1
H H9A 0.0184 0.6171 0.1349 0.072 Uiso calc R 1
H H9B 0.0457 0.5141 0.1119 0.072 Uiso calc R 1
C C10 0.0368(4) 0.6204(4) 0.0535(2) 0.0662(14) Uani d . 1
H H10A -0.0244 0.6041 0.0444 0.079 Uiso calc R 1
H H10B 0.0431 0.6913 0.0521 0.079 Uiso calc R 1
C C11 0.1001(4) 0.5733(5) 0.0134(2) 0.0760(17) Uani d . 1
H H11A 0.0909 0.5027 0.0131 0.091 Uiso calc R 1
H H11B 0.0873 0.5983 -0.0218 0.091 Uiso calc R 1
C C12 0.1955(4) 0.5953(5) 0.0276(2) 0.0757(17) Uani d . 1
H H12A 0.2060 0.6655 0.0248 0.091 Uiso calc R 1
H H12B 0.2349 0.5624 0.0028 0.091 Uiso calc R 1
C C13 0.2172(4) 0.5615(5) 0.0842(2) 0.0662(15) Uani d . 1
H H13A 0.2143 0.4903 0.0857 0.079 Uiso calc R 1
H H13B 0.2777 0.5811 0.0930 0.079 Uiso calc R 1
C C14 0.0058(3) 0.2802(3) 0.12522(19) 0.0493(11) Uani d . 1
C C15 0.0946(4) 0.2901(3) 0.1068(2) 0.0538(12) Uani d . 1
C C16 0.1145(4) 0.2472(4) 0.0572(2) 0.0653(15) Uani d . 1
H H16 0.1715 0.2555 0.0431 0.078 Uiso calc R 1
C C17 0.0536(4) 0.1942(4) 0.0292(2) 0.0663(15) Uani d . 1
H H17 0.0696 0.1664 -0.0032 0.080 Uiso calc R 1
C C18 -0.0316(4) 0.1816(4) 0.0485(2) 0.0638(14) Uani d . 1
C C19 -0.0550(4) 0.2245(4) 0.0958(2) 0.0585(13) Uani d . 1
H H19 -0.1127 0.2163 0.1087 0.070 Uiso calc R 1
C C20 -0.0266(3) 0.3193(4) 0.17500(19) 0.0517(12) Uani d . 1
H H20 -0.0844 0.3017 0.1845 0.062 Uiso calc R 1
C C21 -0.0331(3) 0.4027(3) 0.25680(19) 0.0510(11) Uani d . 1
H H21 -0.0966 0.3883 0.2519 0.061 Uiso calc R 1
C C22 -0.0229(4) 0.5108(4) 0.2673(2) 0.0589(13) Uani d . 1
H H22A -0.0493 0.5479 0.2384 0.071 Uiso calc R 1
H H22B 0.0400 0.5275 0.2692 0.071 Uiso calc R 1
C C23 -0.0690(4) 0.5384(4) 0.3200(2) 0.0725(16) Uani d . 1
H H23A -0.0603 0.6078 0.3271 0.087 Uiso calc R 1
H H23B -0.1327 0.5264 0.3171 0.087 Uiso calc R 1
C C24 -0.0312(5) 0.4786(5) 0.3651(2) 0.0802(18) Uani d . 1
H H24A 0.0319 0.4929 0.3691 0.096 Uiso calc R 1
H H24B -0.0611 0.4961 0.3980 0.096 Uiso calc R 1
C C25 -0.0437(5) 0.3717(5) 0.3544(2) 0.0833(19) Uani d . 1
H H25A -0.1069 0.3569 0.3526 0.100 Uiso calc R 1
H H25B -0.0181 0.3339 0.3833 0.100 Uiso calc R 1
C C26 0.0010(4) 0.3422(4) 0.3020(2) 0.0690(15) Uani d . 1
H H26A 0.0651 0.3509 0.3051 0.083 Uiso calc R 1
H H26B -0.0106 0.2733 0.2950 0.083 Uiso calc R 1
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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_publ_flag
O1 Co1 O2 119.36(16) y
O1 Co1 N2 113.61(16) y
O2 Co1 N2 95.54(16) y
O1 Co1 N1 93.94(15) y
O2 Co1 N1 113.92(17) y
N2 Co1 N1 122.49(17) y
C2 O1 Co1 123.0(3) ?
C15 O2 Co1 124.2(3) ?
C7 N1 C8 118.3(4) ?
C7 N1 Co1 122.1(3) ?
C8 N1 Co1 119.6(3) ?
C20 N2 C21 116.7(4) ?
C20 N2 Co1 121.0(3) ?
C21 N2 Co1 122.3(3) ?
C6 C1 C2 120.2(4) ?
C6 C1 C7 116.0(4) ?
C2 C1 C7 123.7(5) ?
O1 C2 C3 118.6(5) ?
O1 C2 C1 124.7(4) ?
C3 C2 C1 116.5(5) ?
C4 C3 C2 122.4(5) ?
C4 C3 H3 118.8 ?
C2 C3 H3 118.8 ?
C3 C4 C5 119.9(5) ?
C3 C4 H4 124(3) ?
C5 C4 H4 116(3) ?
C6 C5 C4 120.2(5) ?
C6 C5 Br1 121.1(4) ?
C4 C5 Br1 118.6(4) ?
C5 C6 C1 120.7(5) ?
C5 C6 H6 119.7 ?
C1 C6 H6 119.7 ?
N1 C7 C1 125.8(5) ?
N1 C7 H7 117.1 ?
C1 C7 H7 117.1 ?
N1 C8 C13 110.3(4) ?
N1 C8 C9 108.9(4) ?
C13 C8 C9 111.7(4) ?
N1 C8 H8 108.6 ?
C13 C8 H8 108.6 ?
C9 C8 H8 108.6 ?
C8 C9 C10 111.0(5) ?
C8 C9 H9A 109.4 ?
C10 C9 H9A 109.4 ?
C8 C9 H9B 109.4 ?
C10 C9 H9B 109.4 ?
H9A C9 H9B 108.0 ?
C11 C10 C9 110.5(5) ?
C11 C10 H10A 109.5 ?
C9 C10 H10A 109.5 ?
C11 C10 H10B 109.5 ?
C9 C10 H10B 109.5 ?
H10A C10 H10B 108.1 ?
C12 C11 C10 110.5(5) ?
C12 C11 H11A 109.6 ?
C10 C11 H11A 109.6 ?
C12 C11 H11B 109.6 ?
C10 C11 H11B 109.6 ?
H11A C11 H11B 108.1 ?
C11 C12 C13 111.3(5) ?
C11 C12 H12A 109.4 ?
C13 C12 H12A 109.4 ?
C11 C12 H12B 109.4 ?
C13 C12 H12B 109.4 ?
H12A C12 H12B 108.0 ?
C8 C13 C12 112.1(5) ?
C8 C13 H13A 109.2 ?
C12 C13 H13A 109.2 ?
C8 C13 H13B 109.2 ?
C12 C13 H13B 109.2 ?
H13A C13 H13B 107.9 ?
C19 C14 C15 119.4(5) ?
C19 C14 C20 116.1(5) ?
C15 C14 C20 124.4(5) ?
O2 C15 C16 118.4(5) ?
O2 C15 C14 124.8(5) ?
C16 C15 C14 116.7(5) ?
C17 C16 C15 122.4(5) ?
C17 C16 H16 118.8 ?
C15 C16 H16 118.8 ?
C16 C17 C18 120.3(5) ?
C16 C17 H17 119.9 ?
C18 C17 H17 119.9 ?
C19 C18 C17 119.4(5) ?
C19 C18 Br2 120.3(5) ?
C17 C18 Br2 120.3(4) ?
C18 C19 C14 121.6(5) ?
C18 C19 H19 119.2 ?
C14 C19 H19 119.2 ?
N2 C20 C14 127.6(5) ?
N2 C20 H20 116.2 ?
C14 C20 H20 116.2 ?
N2 C21 C26 109.4(4) ?
N2 C21 C22 110.2(4) ?
C26 C21 C22 111.8(4) ?
N2 C21 H21 108.5 ?
C26 C21 H21 108.5 ?
C22 C21 H21 108.5 ?
C21 C22 C23 110.1(4) ?
C21 C22 H22A 109.6 ?
C23 C22 H22A 109.6 ?
C21 C22 H22B 109.6 ?
C23 C22 H22B 109.6 ?
H22A C22 H22B 108.2 ?
C24 C23 C22 110.4(5) ?
C24 C23 H23A 109.6 ?
C22 C23 H23A 109.6 ?
C24 C23 H23B 109.6 ?
C22 C23 H23B 109.6 ?
H23A C23 H23B 108.1 ?
C25 C24 C23 110.1(5) ?
C25 C24 H24A 109.6 ?
C23 C24 H24A 109.6 ?
C25 C24 H24B 109.6 ?
C23 C24 H24B 109.6 ?
H24A C24 H24B 108.2 ?
C24 C25 C26 110.9(5) ?
C24 C25 H25A 109.5 ?
C26 C25 H25A 109.5 ?
C24 C25 H25B 109.5 ?
C26 C25 H25B 109.5 ?
H25A C25 H25B 108.1 ?
C21 C26 C25 111.2(5) ?
C21 C26 H26A 109.4 ?
C25 C26 H26A 109.4 ?
C21 C26 H26B 109.4 ?
C25 C26 H26B 109.4 ?
H26A C26 H26B 108.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 O1 1.915(4) y
Co1 O2 1.920(4) y
Co1 N2 2.017(4) y
Co1 N1 2.021(4) y
Br1 C5 1.897(5) ?
Br2 C18 1.894(6) ?
O1 C2 1.318(6) ?
O2 C15 1.317(6) ?
N1 C7 1.284(6) ?
N1 C8 1.485(6) ?
N2 C20 1.280(6) ?
N2 C21 1.481(6) ?
C1 C6 1.395(7) ?
C1 C2 1.426(7) ?
C1 C7 1.452(6) ?
C2 C3 1.418(7) ?
C3 C4 1.364(8) ?
C3 H3 0.93 ?
C4 C5 1.387(8) ?
C4 H4 1.00(6) ?
C5 C6 1.378(7) ?
C6 H6 0.93 ?
C7 H7 0.93 ?
C8 C13 1.502(8) ?
C8 C9 1.517(7) ?
C8 H8 0.98 ?
C9 C10 1.531(7) ?
C9 H9A 0.97 ?
C9 H9B 0.97 ?
C10 C11 1.525(8) ?
C10 H10A 0.97 ?
C10 H10B 0.97 ?
C11 C12 1.504(9) ?
C11 H11A 0.97 ?
C11 H11B 0.97 ?
C12 C13 1.530(8) ?
C12 H12A 0.97 ?
C12 H12B 0.97 ?
C13 H13A 0.97 ?
C13 H13B 0.97 ?
C14 C19 1.396(7) ?
C14 C15 1.414(7) ?
C14 C20 1.445(7) ?
C15 C16 1.410(7) ?
C16 C17 1.361(8) ?
C16 H16 0.93 ?
C17 C18 1.377(8) ?
C17 H17 0.93 ?
C18 C19 1.371(7) ?
C19 H19 0.93 ?
C20 H20 0.93 ?
C21 C26 1.494(7) ?
C21 C22 1.502(7) ?
C21 H21 0.98 ?
C22 C23 1.541(7) ?
C22 H22A 0.97 ?
C22 H22B 0.97 ?
C23 C24 1.508(9) ?
C23 H23A 0.97 ?
C23 H23B 0.97 ?
C24 C25 1.491(9) ?
C24 H24A 0.97 ?
C24 H24B 0.97 ?
C25 C26 1.532(8) ?
C25 H25A 0.97 ?
C25 H25B 0.97 ?
C26 H26A 0.97 ?
C26 H26B 0.97 ?
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
O2 Co1 O1 C2 148.5(4)
N2 Co1 O1 C2 -100.0(4)
N1 Co1 O1 C2 28.2(4)
O1 Co1 O2 C15 138.6(4)
N2 Co1 O2 C15 17.5(4)
N1 Co1 O2 C15 -111.8(4)
O1 Co1 N1 C7 -17.9(4)
O2 Co1 N1 C7 -142.5(4)
N2 Co1 N1 C7 103.4(4)
O1 Co1 N1 C8 160.5(4)
O2 Co1 N1 C8 35.8(4)
N2 Co1 N1 C8 -78.2(4)
O1 Co1 N2 C20 -135.2(4)
O2 Co1 N2 C20 -9.7(4)
N1 Co1 N2 C20 113.3(4)
O1 Co1 N2 C21 43.1(4)
O2 Co1 N2 C21 168.6(3)
N1 Co1 N2 C21 -68.4(4)
Co1 O1 C2 C3 159.1(4)
Co1 O1 C2 C1 -24.1(7)
C6 C1 C2 O1 -177.1(5)
C7 C1 C2 O1 0.9(8)
C6 C1 C2 C3 -0.2(7)
C7 C1 C2 C3 177.9(5)
O1 C2 C3 C4 179.4(5)
C1 C2 C3 C4 2.3(8)
C2 C3 C4 C5 -1.4(9)
C3 C4 C5 C6 -1.6(8)
C3 C4 C5 Br1 179.5(4)
C4 C5 C6 C1 3.7(8)
Br1 C5 C6 C1 -177.5(4)
C2 C1 C6 C5 -2.7(7)
C7 C1 C6 C5 179.1(5)
C8 N1 C7 C1 -175.7(4)
Co1 N1 C7 C1 2.7(7)
C6 C1 C7 N1 -171.3(5)
C2 C1 C7 N1 10.5(8)
C7 N1 C8 C13 107.7(5)
Co1 N1 C8 C13 -70.7(5)
C7 N1 C8 C9 -129.4(5)
Co1 N1 C8 C9 52.2(5)
N1 C8 C9 C10 -176.4(4)
C13 C8 C9 C10 -54.4(6)
C8 C9 C10 C11 56.5(6)
C9 C10 C11 C12 -57.7(7)
C10 C11 C12 C13 56.5(7)
N1 C8 C13 C12 174.6(4)
C9 C8 C13 C12 53.4(6)
C11 C12 C13 C8 -54.7(7)
Co1 O2 C15 C16 165.9(4)
Co1 O2 C15 C14 -16.0(7)
C19 C14 C15 O2 -174.2(5)
C20 C14 C15 O2 1.8(8)
C19 C14 C15 C16 3.9(7)
C20 C14 C15 C16 180.0(5)
O2 C15 C16 C17 174.9(5)
C14 C15 C16 C17 -3.3(8)
C15 C16 C17 C18 0.8(9)
C16 C17 C18 C19 1.2(8)
C16 C17 C18 Br2 -178.8(4)
C17 C18 C19 C14 -0.5(8)
Br2 C18 C19 C14 179.5(4)
C15 C14 C19 C18 -2.1(8)
C20 C14 C19 C18 -178.5(5)
C21 N2 C20 C14 -178.3(5)
Co1 N2 C20 C14 0.0(7)
C19 C14 C20 N2 -176.9(5)
C15 C14 C20 N2 6.9(8)
C20 N2 C21 C26 102.1(5)
Co1 N2 C21 C26 -76.3(5)
C20 N2 C21 C22 -134.7(5)
Co1 N2 C21 C22 47.0(5)
N2 C21 C22 C23 -177.3(4)
C26 C21 C22 C23 -55.4(6)
C21 C22 C23 C24 57.1(6)
C22 C23 C24 C25 -58.8(7)
C23 C24 C25 C26 58.0(8)
N2 C21 C26 C25 177.3(5)
C22 C21 C26 C25 55.0(7)
C24 C25 C26 C21 -56.1(7)
