#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:50:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179939 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/34/7023425.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_7023425
loop_
_publ_author_name
'Ghosh, Soumavo'
'Mukherjee, Sandip'
'Seth, Piya'
'Mukherjee, Partha Sarathi'
'Ghosh, Ashutosh'
_publ_section_title
;
 Solvent-templated supramolecular isomerism in 2D coordination polymer
 constructed by Ni(II)2Co(II) nodes and dicyanamido spacers: drastic
 change in magnetic behaviours.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13554
_journal_page_last               13564
_journal_paper_doi               10.1039/c3dt51326b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C38 H32 Co N10 Ni2 O4'
_chemical_formula_sum            'C38 H32 Co N10 Ni2 O4'
_chemical_formula_weight         869.05
_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                90.000(5)
_cell_angle_beta                 107.542(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   16.288(5)
_cell_length_b                   10.715(5)
_cell_length_c                   21.808(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.31
_cell_volume                     3629(2)
_computing_cell_refinement       'Bruker SMART APEX2'
_computing_data_collection       'Bruker SMART APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WINGX V1.80.03'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24468
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.536
_exptl_absorpt_correction_T_max  0.7487
_exptl_absorpt_correction_T_min  0.5786
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.331
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0388
_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)+(0.0460P)²+0.4155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.1008
_reflns_number_gt                4605
_reflns_number_total             6377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51326b.txt
_cod_data_source_block           1a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7023425
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
Co1 Co 0.74061(3) 0.12820(4) 0.75172(2) 0.02959(13) Uani 1 1 d .
Ni2 Ni 0.81931(3) -0.12086(4) 0.80862(2) 0.03654(14) Uani 1 1 d .
Ni1 Ni 0.63496(3) -0.05861(4) 0.66249(2) 0.03944(15) Uani 1 1 d .
C35 C 0.6553(2) 0.3501(3) 0.80966(18) 0.0384(9) Uani 1 1 d .
O1 O 0.66215(15) 0.1235(2) 0.65843(11) 0.0357(6) Uani 1 1 d .
O4 O 0.78666(16) -0.0504(2) 0.71822(11) 0.0392(6) Uani 1 1 d .
O3 O 0.81151(16) 0.0539(2) 0.83607(11) 0.0397(6) Uani 1 1 d .
O2 O 0.65195(18) -0.0151(2) 0.75376(12) 0.0547(8) Uani 1 1 d .
N1 N 0.6440(2) -0.0881(3) 0.57340(16) 0.0483(9) Uani 1 1 d .
N3 N 0.8167(2) -0.1808(3) 0.89572(15) 0.0456(8) Uani 1 1 d .
N5 N 0.6836(2) 0.2722(3) 0.78678(15) 0.0439(8) Uani 1 1 d .
N6 N 0.8352(2) 0.2428(3) 0.73871(15) 0.0445(8) Uani 1 1 d .
N4 N 0.8134(2) -0.2932(3) 0.76823(16) 0.0452(8) Uani 1 1 d .
N7 N 0.5016(2) -0.0351(3) 0.63456(16) 0.0491(9) Uani 1 1 d .
N2 N 0.61268(19) -0.2390(3) 0.68324(16) 0.0454(8) Uani 1 1 d .
N8 N 0.3690(2) -0.0524(3) 0.66405(19) 0.0607(10) Uani 1 1 d .
C34 C 0.8340(2) -0.0849(3) 0.68074(17) 0.0389(9) Uani 1 1 d .
C6 C 0.6640(2) 0.1328(4) 0.54906(18) 0.0463(10) Uani 1 1 d .
C1 C 0.6696(2) 0.1884(3) 0.60875(17) 0.0366(9) Uani 1 1 d .
C19 C 0.8640(2) 0.2248(4) 0.90531(18) 0.0471(10) Uani 1 1 d .
H19 H 0.8509 0.2793 0.8705 0.057 Uiso 1 1 calc R
N10 N 1.0824(3) -0.1003(3) 0.7988(2) 0.0786(13) Uani 1 1 d .
C12 C 0.5746(2) -0.1835(3) 0.78016(18) 0.0404(9) Uani 1 1 d .
C9 C 0.5801(3) -0.3010(4) 0.5696(2) 0.0634(13) Uani 1 1 d .
H9A H 0.5253 -0.2592 0.5633 0.076 Uiso 1 1 calc R
H9B H 0.5694 -0.3754 0.5430 0.076 Uiso 1 1 calc R
C33 C 0.8573(3) 0.0006(4) 0.64037(18) 0.0514(11) Uani 1 1 d .
H33 H 0.8414 0.0839 0.6410 0.062 Uiso 1 1 calc R
C36 C 0.8780(2) 0.3110(4) 0.72144(19) 0.0447(10) Uani 1 1 d .
C18 C 0.8467(2) 0.0974(3) 0.89468(17) 0.0367(9) Uani 1 1 d .
C2 C 0.6847(2) 0.3172(4) 0.61469(19) 0.0455(10) Uani 1 1 d .
H2 H 0.6859 0.3571 0.6528 0.055 Uiso 1 1 calc R
N9 N 0.9494(2) -0.1144(3) 0.82541(15) 0.0471(8) Uani 1 1 d .
C16 C 0.6105(2) -0.0024(4) 0.84786(17) 0.0451(10) Uani 1 1 d .
H16 H 0.6372 0.0749 0.8576 0.054 Uiso 1 1 calc R
C23 C 0.8655(2) 0.0171(4) 0.94939(17) 0.0454(10) Uani 1 1 d .
C29 C 0.8607(3) -0.2102(4) 0.68009(19) 0.0471(10) Uani 1 1 d .
C17 C 0.6138(2) -0.0643(3) 0.79300(17) 0.0391(9) Uani 1 1 d .
C28 C 0.8408(3) -0.3066(4) 0.7200(2) 0.0522(11) Uani 1 1 d .
H28 H 0.8492 -0.3884 0.7089 0.063 Uiso 1 1 calc R
C37 C 0.4407(3) -0.0495(3) 0.64986(18) 0.0394(9) Uani 1 1 d .
C13 C 0.5316(2) -0.2295(4) 0.8221(2) 0.0521(11) Uani 1 1 d .
H13 H 0.5039 -0.3062 0.8130 0.062 Uiso 1 1 calc R
C24 C 0.8429(3) -0.1123(4) 0.9458(2) 0.0529(11) Uani 1 1 d .
H24 H 0.8478 -0.1514 0.9848 0.064 Uiso 1 1 calc R
C21 C 0.9205(3) 0.1943(4) 1.0192(2) 0.0669(13) Uani 1 1 d .
H21 H 0.9455 0.2264 1.0603 0.080 Uiso 1 1 calc R
C26 C 0.8327(3) -0.4038(4) 0.8708(2) 0.0650(13) Uani 1 1 d .
H26A H 0.8937 -0.3855 0.8815 0.078 Uiso 1 1 calc R
H26B H 0.8269 -0.4863 0.8873 0.078 Uiso 1 1 calc R
C15 C 0.5687(3) -0.0522(4) 0.88842(19) 0.0536(11) Uani 1 1 d .
H15 H 0.5676 -0.0079 0.9249 0.064 Uiso 1 1 calc R
C3 C 0.6976(3) 0.3856(4) 0.5651(2) 0.0595(12) Uani 1 1 d .
H3 H 0.7088 0.4706 0.5706 0.071 Uiso 1 1 calc R
C22 C 0.9032(3) 0.0696(4) 1.0101(2) 0.0640(13) Uani 1 1 d .
H22 H 0.9172 0.0174 1.0459 0.077 Uiso 1 1 calc R
C14 C 0.5283(3) -0.1668(4) 0.8758(2) 0.0574(12) Uani 1 1 d .
H14 H 0.4998 -0.2003 0.9031 0.069 Uiso 1 1 calc R
C32 C 0.9025(3) -0.0354(5) 0.6004(2) 0.0701(14) Uani 1 1 d .
H32 H 0.9171 0.0234 0.5741 0.084 Uiso 1 1 calc R
C8 C 0.6389(3) -0.2156(4) 0.5471(2) 0.0701(14) Uani 1 1 d .
H8A H 0.6963 -0.2515 0.5594 0.084 Uiso 1 1 calc R
H8B H 0.6188 -0.2111 0.5005 0.084 Uiso 1 1 calc R
C25 C 0.7915(3) -0.3094(4) 0.9045(2) 0.0601(12) Uani 1 1 d .
H25A H 0.7294 -0.3167 0.8878 0.072 Uiso 1 1 calc R
H25B H 0.8082 -0.3284 0.9501 0.072 Uiso 1 1 calc R
C5 C 0.6772(3) 0.2068(5) 0.5000(2) 0.0655(13) Uani 1 1 d .
H5 H 0.6741 0.1699 0.4608 0.079 Uiso 1 1 calc R
C20 C 0.9001(3) 0.2707(4) 0.96658(19) 0.0583(12) Uani 1 1 d .
H20 H 0.9109 0.3558 0.9722 0.070 Uiso 1 1 calc R
C10 C 0.6145(3) -0.3394(4) 0.6385(2) 0.0622(13) Uani 1 1 d .
H10A H 0.5808 -0.4090 0.6462 0.075 Uiso 1 1 calc R
H10B H 0.6734 -0.3678 0.6469 0.075 Uiso 1 1 calc R
C27 C 0.7948(3) -0.4058(4) 0.7986(2) 0.0613(12) Uani 1 1 d .
H27A H 0.8174 -0.4772 0.7816 0.074 Uiso 1 1 calc R
H27B H 0.7328 -0.4159 0.7876 0.074 Uiso 1 1 calc R
C11 C 0.5814(2) -0.2647(4) 0.7289(2) 0.0483(10) Uani 1 1 d .
H11 H 0.5605 -0.3454 0.7292 0.058 Uiso 1 1 calc R
C30 C 0.9068(3) -0.2456(5) 0.6383(2) 0.0661(13) Uani 1 1 d .
H30 H 0.9238 -0.3283 0.6372 0.079 Uiso 1 1 calc R
C4 C 0.6943(3) 0.3303(5) 0.5077(2) 0.0689(14) Uani 1 1 d .
H4 H 0.7036 0.3771 0.4745 0.083 Uiso 1 1 calc R
C31 C 0.9273(3) -0.1584(5) 0.5983(2) 0.0776(15) Uani 1 1 d .
H31 H 0.9576 -0.1824 0.5703 0.093 Uiso 1 1 calc R
C38 C 1.0110(3) -0.1144(3) 0.81113(18) 0.0406(9) Uani 1 1 d .
C7 C 0.6517(3) -0.0005(4) 0.53618(19) 0.0525(11) Uani 1 1 d .
H7 H 0.6493 -0.0250 0.4948 0.063 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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_3
O3 Co1 O1 155.37(9) .
O3 Co1 N6 96.59(12) .
O1 Co1 N6 98.42(11) .
O3 Co1 N5 98.92(11) .
O1 Co1 N5 99.81(11) .
N6 Co1 N5 92.54(13) .
O3 Co1 O2 84.34(11) .
O1 Co1 O2 77.19(10) .
N6 Co1 O2 168.61(11) .
N5 Co1 O2 98.54(12) .
O3 Co1 O4 78.80(9) .
O1 Co1 O4 80.02(9) .
N6 Co1 O4 97.22(11) .
N5 Co1 O4 170.15(11) .
O2 Co1 O4 71.76(10) .
O3 Co1 Ni1 113.12(7) .
O1 Co1 Ni1 42.74(7) .
N6 Co1 Ni1 128.72(9) .
N5 Co1 Ni1 120.84(9) .
O2 Co1 Ni1 42.04(7) .
O4 Co1 Ni1 52.90(7) .
O3 Ni2 N3 89.72(12) .
O3 Ni2 O4 85.41(9) .
N3 Ni2 O4 163.86(11) .
O3 Ni2 N4 171.47(11) .
N3 Ni2 N4 96.12(13) .
O4 Ni2 N4 87.29(11) .
O3 Ni2 N9 94.10(12) .
N3 Ni2 N9 99.04(13) .
O4 Ni2 N9 96.65(12) .
N4 Ni2 N9 91.12(13) .
O2 Ni1 O1 81.37(10) .
O2 Ni1 N1 167.46(12) .
O1 Ni1 N1 91.65(12) .
O2 Ni1 N2 88.87(12) .
O1 Ni1 N2 170.16(11) .
N1 Ni1 N2 97.73(14) .
O2 Ni1 N7 94.75(13) .
O1 Ni1 N7 95.39(11) .
N1 Ni1 N7 96.27(13) .
N2 Ni1 N7 86.55(12) .
O2 Ni1 O4 70.87(10) .
O1 Ni1 O4 77.30(8) .
N1 Ni1 O4 97.51(11) .
N2 Ni1 O4 98.44(10) .
N7 Ni1 O4 164.56(11) .
O2 Ni1 Co1 45.72(7) .
O1 Ni1 Co1 43.85(7) .
N1 Ni1 Co1 122.91(9) .
N2 Ni1 Co1 127.02(9) .
N7 Ni1 Co1 117.31(9) .
O4 Ni1 Co1 48.44(6) .
N5 C35 N8 173.0(4) 2_656
C1 O1 Ni1 128.5(2) .
C1 O1 Co1 128.0(2) .
Ni1 O1 Co1 93.41(9) .
C34 O4 Ni2 117.5(2) .
C34 O4 Co1 138.0(2) .
Ni2 O4 Co1 90.94(9) .
C34 O4 Ni1 112.1(2) .
Ni2 O4 Ni1 113.98(10) .
Co1 O4 Ni1 78.66(7) .
C18 O3 Ni2 125.3(2) .
C18 O3 Co1 135.0(2) .
Ni2 O3 Co1 99.71(10) .
C17 O2 Ni1 127.7(2) .
C17 O2 Co1 140.0(2) .
Ni1 O2 Co1 92.25(10) .
C7 N1 C8 116.1(4) .
C7 N1 Ni1 123.3(3) .
C8 N1 Ni1 120.5(3) .
C24 N3 C25 117.6(3) .
C24 N3 Ni2 121.7(3) .
C25 N3 Ni2 120.5(3) .
C35 N5 Co1 176.0(3) .
C36 N6 Co1 168.3(3) .
C28 N4 C27 117.3(3) .
C28 N4 Ni2 118.6(3) .
C27 N4 Ni2 123.1(3) .
C37 N7 Ni1 144.4(3) .
C11 N2 C10 117.1(4) .
C11 N2 Ni1 121.1(3) .
C10 N2 Ni1 120.6(3) .
C37 N8 C35 122.4(3) 2_646
O4 C34 C33 121.3(3) .
O4 C34 C29 120.4(3) .
C33 C34 C29 118.2(4) .
C5 C6 C1 118.9(4) .
C5 C6 C7 116.8(4) .
C1 C6 C7 124.1(4) .
O1 C1 C2 119.9(3) .
O1 C1 C6 122.5(3) .
C2 C1 C6 117.6(3) .
C20 C19 C18 121.0(4) .
C38 N10 C36 124.1(4) 2_746
C13 C12 C17 118.2(4) .
C13 C12 C11 117.7(4) .
C17 C12 C11 124.0(3) .
C10 C9 C8 114.3(4) .
C32 C33 C34 121.4(4) .
N6 C36 N10 171.7(4) 2_756
O3 C18 C19 120.8(3) .
O3 C18 C23 121.2(3) .
C19 C18 C23 117.9(3) .
C3 C2 C1 121.1(4) .
C38 N9 Ni2 154.9(3) .
C15 C16 C17 121.8(4) .
C22 C23 C18 118.1(4) .
C22 C23 C24 118.3(4) .
C18 C23 C24 123.5(3) .
C30 C29 C34 119.5(4) .
C30 C29 C28 117.4(4) .
C34 C29 C28 123.1(4) .
O2 C17 C16 121.5(3) .
O2 C17 C12 120.5(3) .
C16 C17 C12 118.0(3) .
N4 C28 C29 128.0(4) .
N7 C37 N8 172.9(4) .
C14 C13 C12 123.0(4) .
N3 C24 C23 128.2(4) .
C20 C21 C22 118.4(4) .
C27 C26 C25 114.4(4) .
C16 C15 C14 120.9(4) .
C4 C3 C2 121.0(4) .
C21 C22 C23 122.9(4) .
C13 C14 C15 118.0(4) .
C33 C32 C31 120.9(5) .
N1 C8 C9 113.6(3) .
N3 C25 C26 112.4(4) .
C4 C5 C6 122.2(4) .
C21 C20 C19 121.7(4) .
N2 C10 C9 113.1(4) .
N4 C27 C26 112.8(3) .
N2 C11 C12 127.9(4) .
C31 C30 C29 120.4(4) .
C5 C4 C3 119.1(4) .
C32 C31 C30 119.6(4) .
N9 C38 N10 172.3(4) .
N1 C7 C6 129.4(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.018(2) .
Co1 O1 2.051(2) .
Co1 N6 2.055(3) .
Co1 N5 2.063(3) .
Co1 O2 2.118(2) .
Co1 O4 2.256(2) .
Co1 Ni1 2.9556(9) .
Ni2 O3 1.982(2) .
Ni2 N3 2.018(3) .
Ni2 O4 2.027(2) .
Ni2 N4 2.036(3) .
Ni2 N9 2.040(3) .
Ni1 O2 1.981(2) .
Ni1 O1 2.009(2) .
Ni1 N1 2.017(3) .
Ni1 N2 2.042(3) .
Ni1 N7 2.087(4) .
Ni1 O4 2.404(3) .
C35 N5 1.140(4) .
C35 N8 1.309(5) 2_656
O1 C1 1.323(4) .
O4 C34 1.334(4) .
O3 C18 1.318(4) .
O2 C17 1.310(4) .
N1 C7 1.272(5) .
N1 C8 1.475(5) .
N3 C24 1.278(5) .
N3 C25 1.466(5) .
N6 C36 1.149(5) .
N4 C28 1.268(5) .
N4 C27 1.451(5) .
N7 C37 1.147(5) .
N2 C11 1.277(5) .
N2 C10 1.458(5) .
N8 C37 1.297(5) .
N8 C35 1.309(5) 2_646
C34 C33 1.400(5) .
C34 C29 1.412(5) .
C6 C5 1.400(6) .
C6 C1 1.410(5) .
C6 C7 1.457(6) .
C1 C2 1.400(5) .
C19 C20 1.378(5) .
C19 C18 1.398(5) .
N10 C38 1.279(5) .
N10 C36 1.299(5) 2_746
C12 C13 1.399(5) .
C12 C17 1.418(5) .
C12 C11 1.447(5) .
C9 C10 1.495(6) .
C9 C8 1.510(6) .
C33 C32 1.356(6) .
C36 N10 1.299(5) 2_756
C18 C23 1.427(5) .
C2 C3 1.373(5) .
N9 C38 1.136(5) .
C16 C15 1.376(5) .
C16 C17 1.383(5) .
C23 C22 1.399(5) .
C23 C24 1.430(6) .
C29 C30 1.397(5) .
C29 C28 1.450(5) .
C13 C14 1.364(6) .
C21 C20 1.367(6) .
C21 C22 1.367(6) .
C26 C27 1.509(6) .
C26 C25 1.519(6) .
C15 C14 1.381(6) .
C3 C4 1.372(6) .
C32 C31 1.384(6) .
C5 C4 1.352(6) .
C30 C31 1.386(6) .
