#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:31:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180225 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/11/7111113.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7111113
loop_
_publ_author_name
'Biradha, Kumar'
'Fujita, Makoto'
_publ_section_title
;
 Selective formation of rectangular grid coordination polymers with grid
 dimensions 10 × 15, 10 × 20 and 15 × 20 Å
;
_journal_issue                   1
_journal_name_full               'Chemical Communications'
_journal_page_first              15
_journal_paper_doi               10.1039/b007014i
_journal_year                    2001
_chemical_formula_sum            'C80 H72 N6 Ni O6'
_chemical_formula_weight         1272.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n 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            4
_cell_length_a                   39.824(3)
_cell_length_b                   15.5840(9)
_cell_length_c                   11.2915(9)
_cell_measurement_temperature    193(2)
_cell_volume                     7007.7(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            42836
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.334
_exptl_absorpt_correction_T_max  0.9516
_exptl_absorpt_correction_T_min  0.9362
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2680
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.863
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         8301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0685
_refine_ls_shift/su_max          0.432
_refine_ls_shift/su_mean         0.023
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0823P)²+10.3716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1732
_refine_ls_wR_factor_ref         0.1864
_reflns_number_gt                6222
_reflns_number_total             8301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b007014isup1.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        7007.7(8)
_cod_original_sg_symbol_H-M      Pnna
_cod_database_code               7111113
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-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
Ni1 Ni 0.2500 0.5000 0.47291(3) 0.01740(13) Uani 1 2 d S
N1A N 0.25781(6) 0.69734(14) 0.48950(19) 0.0256(5) Uani 1 1 d .
O1A O 0.25117(7) 0.74770(16) 0.5703(2) 0.0554(7) Uani 1 1 d .
O2A O 0.28206(6) 0.71110(15) 0.4241(2) 0.0462(6) Uani 1 1 d .
O3A O 0.23917(5) 0.63212(12) 0.47404(15) 0.0246(4) Uani 1 1 d .
C101 C 0.10904(19) 0.2500 0.7500 0.0762(19) Uani 1 2 d S
H101 H 0.0852 0.2500 0.7500 0.091 Uiso 1 2 calc SR
C102 C 0.12679(15) 0.2909(3) 0.8400(4) 0.0760(14) Uani 1 1 d .
H102 H 0.1151 0.3193 0.9019 0.091 Uiso 1 1 calc R
C103 C 0.16085(13) 0.2898(3) 0.8389(4) 0.0673(12) Uani 1 1 d .
H103 H 0.1730 0.3171 0.9008 0.081 Uiso 1 1 calc R
C104 C 0.17762(17) 0.2500 0.7500 0.0637(16) Uani 1 2 d S
H104 H 0.2015 0.2500 0.7500 0.076 Uiso 1 2 calc SR
C111 C 0.1908(2) 0.7500 0.2500 0.076(2) Uani 1 2 d S
H111 H 0.2147 0.7500 0.2500 0.092 Uiso 1 2 calc SR
C112 C 0.17420(16) 0.7104(3) 0.1610(4) 0.0787(14) Uani 1 1 d .
H112 H 0.1865 0.6834 0.0993 0.094 Uiso 1 1 calc R
C113 C 0.14018(17) 0.7091(3) 0.1592(4) 0.0797(15) Uani 1 1 d .
H113 H 0.1287 0.6807 0.0968 0.096 Uiso 1 1 calc R
C114 C 0.1219(2) 0.7500 0.2500 0.084(2) Uani 1 2 d S
H114 H 0.0980 0.7500 0.2500 0.101 Uiso 1 2 calc SR
C121 C 0.08374(19) 0.2500 0.2500 0.100(3) Uani 1 2 d S
H121 H 0.0599 0.2500 0.2500 0.120 Uiso 1 2 calc SR
C122 C 0.10304(15) 0.2817(3) 0.3491(4) 0.0771(14) Uani 1 1 d .
H122 H 0.0921 0.3036 0.4174 0.093 Uiso 1 1 calc R
C123 C 0.13665(13) 0.2796(3) 0.3433(4) 0.0731(13) Uani 1 1 d .
H123 H 0.1492 0.3002 0.4089 0.088 Uiso 1 1 calc R
C124 C 0.15301(19) 0.2500 0.2500 0.0681(17) Uani 1 2 d S
H124 H 0.1769 0.2500 0.2500 0.082 Uiso 1 2 calc SR
C131 C 0.10545(18) 0.4594(3) 1.0973(4) 0.159(4) Uani 1 1 d G
H131 H 0.0960 0.4306 1.1634 0.191 Uiso 1 1 calc R
C132 C 0.14007(16) 0.4605(2) 1.0818(3) 0.115(3) Uani 1 1 d G
H132 H 0.1542 0.4325 1.1373 0.138 Uiso 1 1 calc R
C133 C 0.15396(9) 0.5027(2) 0.9850(4) 0.0881(17) Uani 1 1 d G
H133 H 0.1776 0.5035 0.9744 0.106 Uiso 1 1 calc R
C134 C 0.13323(13) 0.5437(3) 0.9037(3) 0.0914(17) Uani 1 1 d G
H134 H 0.1427 0.5725 0.8376 0.110 Uiso 1 1 calc R
C135 C 0.09861(12) 0.5426(3) 0.9193(5) 0.163(4) Uani 1 1 d G
H135 H 0.0844 0.5706 0.8637 0.196 Uiso 1 1 calc R
C136 C 0.08472(10) 0.5004(4) 1.0160(7) 0.236(8) Uani 1 1 d G
H136 H 0.0611 0.4996 1.0267 0.284 Uiso 1 1 calc R
C141 C 0.10925(13) 0.7500 0.7500 0.0583(15) Uani 1 2 d S
H141 H 0.0854 0.7500 0.7500 0.070 Uiso 1 2 calc SR
C142 C 0.12676(10) 0.7144(2) 0.6553(3) 0.0545(9) Uani 1 1 d .
H142 H 0.1149 0.6899 0.5905 0.065 Uiso 1 1 calc R
C143 C 0.16121(9) 0.7148(2) 0.6557(3) 0.0455(8) Uani 1 1 d .
H143 H 0.1732 0.6908 0.5910 0.055 Uiso 1 1 calc R
C144 C 0.17847(12) 0.7500 0.7500 0.0399(10) Uani 1 2 d S
H144 H 0.2023 0.7500 0.7500 0.048 Uiso 1 2 calc SR
N11A N 0.19767(5) 0.48995(13) 0.47656(17) 0.0206(4) Uani 1 1 d .
C11A C 0.18057(6) 0.44549(17) 0.5587(2) 0.0250(5) Uani 1 1 d .
H11A H 0.1929 0.4116 0.6133 0.030 Uiso 1 1 calc R
C12A C 0.14597(7) 0.44634(19) 0.5681(2) 0.0312(6) Uani 1 1 d .
H12A H 0.1352 0.4138 0.6283 0.037 Uiso 1 1 calc R
C13A C 0.12689(7) 0.49493(18) 0.4893(2) 0.0288(5) Uani 1 1 d .
C14A C 0.14465(6) 0.54099(19) 0.4042(2) 0.0290(6) Uani 1 1 d .
H14A H 0.1329 0.5751 0.3482 0.035 Uiso 1 1 calc R
C15A C 0.17912(6) 0.53726(18) 0.4009(2) 0.0257(5) Uani 1 1 d .
H15A H 0.1905 0.5698 0.3422 0.031 Uiso 1 1 calc R
C21A C 0.08965(7) 0.4973(2) 0.4942(3) 0.0367(7) Uani 1 1 d .
C22A C 0.07220(10) 0.4713(6) 0.5895(5) 0.161(4) Uani 1 1 d .
H22A H 0.0841 0.4516 0.6572 0.193 Uiso 1 1 calc R
C23A C 0.03727(10) 0.4724(7) 0.5923(6) 0.191(5) Uani 1 1 d .
H23A H 0.0261 0.4536 0.6619 0.229 Uiso 1 1 calc R
C24A C 0.01871(8) 0.4995(3) 0.4988(4) 0.0577(11) Uani 1 1 d .
C25A C 0.03609(8) 0.5240(3) 0.4018(3) 0.0567(11) Uani 1 1 d .
H25A H 0.0241 0.5426 0.3336 0.068 Uiso 1 1 calc R
C26A C 0.07086(8) 0.5228(3) 0.3991(3) 0.0583(11) Uani 1 1 d .
H26A H 0.0820 0.5402 0.3288 0.070 Uiso 1 1 calc R
N11B N 0.2500 0.5000 0.6600(2) 0.0206(6) Uani 1 2 d S
C11B C 0.23631(7) 0.56457(16) 0.7219(2) 0.0236(5) Uani 1 1 d .
H11B H 0.2262 0.6104 0.6795 0.028 Uiso 1 1 calc R
C12B C 0.23624(7) 0.56773(17) 0.8443(2) 0.0260(5) Uani 1 1 d .
H12B H 0.2269 0.6157 0.8845 0.031 Uiso 1 1 calc R
C13B C 0.2500 0.5000 0.9079(3) 0.0236(7) Uani 1 2 d S
N21B N 0.2500 0.5000 0.2870(2) 0.0199(5) Uani 1 2 d S
C21B C 0.23952(6) 0.43141(16) 0.2254(2) 0.0220(5) Uani 1 1 d .
H21B H 0.2318 0.3827 0.2678 0.026 Uiso 1 1 calc R
C22B C 0.23950(7) 0.42832(17) 0.1026(2) 0.0248(5) Uani 1 1 d .
H22B H 0.2324 0.3780 0.0622 0.030 Uiso 1 1 calc R
C23B C 0.2500 0.5000 0.0396(3) 0.0244(7) Uani 1 2 d S
C151 C 0.0239(3) 0.310(2) 0.9539(17) 0.311(15) Uani 1 1 d .
C154 C -0.0368(4) 0.2750(15) 0.9949(15) 0.208(7) Uani 1 1 d .
C152 C 0.0092(5) 0.3596(16) 1.0506(17) 0.156(8) Uani 0.50 1 d P
C153 C -0.0151(6) 0.3097(17) 1.095(2) 0.165(8) Uani 0.50 1 d P
C155 C -0.0234(6) 0.2662(14) 0.881(3) 0.174(11) Uani 0.50 1 d P
C156 C 0.0052(5) 0.3154(15) 0.854(2) 0.129(6) Uani 0.50 1 d P
C157 C 0.0093(5) 0.2254(12) 1.0363(18) 0.134(6) Uani 0.50 1 d P
C158 C 0.0086(8) 0.3653(17) 0.922(3) 0.145(11) Uani 0.50 1 d P
C159 C -0.0252(6) 0.2353(17) 1.056(2) 0.128(7) Uani 0.50 1 d P
C160 C -0.0274(6) 0.3516(16) 0.9256(17) 0.140(6) Uani 0.50 1 d 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 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'
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_1
_geom_angle_site_symmetry_3
N11A Ni1 N11A 177.74(11) . 2_565
N11A Ni1 N21B 91.13(5) . .
N11A Ni1 N21B 91.13(5) 2_565 .
N11A Ni1 O3A 82.46(7) . .
N11A Ni1 O3A 97.53(7) 2_565 .
N21B Ni1 O3A 90.35(5) . .
N11A Ni1 O3A 97.53(7) . 2_565
N11A Ni1 O3A 82.46(7) 2_565 2_565
N21B Ni1 O3A 90.35(5) . 2_565
O3A Ni1 O3A 179.30(9) . 2_565
N11A Ni1 N11B 88.87(5) . .
N11A Ni1 N11B 88.87(5) 2_565 .
N21B Ni1 N11B 180.000(1) . .
O3A Ni1 N11B 89.65(5) . .
O3A Ni1 N11B 89.65(5) 2_565 .
O1A N1A O2A 120.0(2) . .
O1A N1A O3A 119.0(2) . .
O2A N1A O3A 120.9(2) . .
N1A O3A Ni1 131.59(16) . .
C102 C101 C102 119.0(7) . 4_556
C103 C102 C101 119.7(5) . .
C104 C103 C102 120.3(5) . .
C103 C104 C103 121.0(7) . 4_556
C112 C111 C112 121.4(8) 4_565 .
C111 C112 C113 120.5(6) . .
C112 C113 C114 119.9(5) . .
C113 C114 C113 117.8(8) . 4_565
C122 C121 C122 115.7(7) 4 .
C123 C122 C121 119.0(5) . .
C124 C123 C122 122.7(5) . .
C123 C124 C123 120.9(8) 4 .
C132 C131 C136 120.0 . .
C131 C132 C133 120.0 . .
C132 C133 C134 120.0 . .
C135 C134 C133 120.0 . .
C134 C135 C136 120.0 . .
C135 C136 C131 120.0 . .
C142 C141 C142 119.9(5) 4_566 .
C143 C142 C141 119.8(4) . .
C142 C143 C144 120.1(4) . .
C143 C144 C143 120.3(5) 4_566 .
C11A N11A C15A 116.2(2) . .
C11A N11A Ni1 123.89(16) . .
C15A N11A Ni1 119.51(16) . .
N11A C11A C12A 123.6(2) . .
C11A C12A C13A 120.0(2) . .
C14A C13A C12A 116.3(2) . .
C14A C13A C21A 121.3(2) . .
C12A C13A C21A 122.3(2) . .
C15A C14A C13A 120.3(2) . .
N11A C15A C14A 123.6(2) . .
C22A C21A C26A 115.7(3) . .
C22A C21A C13A 122.6(3) . .
C26A C21A C13A 121.6(3) . .
C21A C22A C23A 122.1(4) . .
C24A C23A C22A 122.1(4) . .
C25A C24A C23A 116.1(3) . .
C25A C24A C24A 121.6(4) . 5_566
C23A C24A C24A 122.3(4) . 5_566
C24A C25A C26A 121.8(3) . .
C21A C26A C25A 122.2(3) . .
C11B N11B C11B 117.2(3) . 2_565
C11B N11B Ni1 121.39(14) . .
C11B N11B Ni1 121.39(14) 2_565 .
N11B C11B C12B 123.2(2) . .
C11B C12B C13B 119.2(2) . .
C12B C13B C12B 117.8(3) 2_565 .
C12B C13B C23B 121.11(15) 2_565 1_556
C12B C13B C23B 121.11(15) . 1_556
C21B N21B C21B 117.5(3) . 2_565
C21B N21B Ni1 121.24(14) . .
C21B N21B Ni1 121.24(14) 2_565 .
N21B C21B C22B 123.1(2) . .
C21B C22B C23B 118.9(2) . .
C22B C23B C22B 118.4(3) . 2_565
C22B C23B C13B 120.82(15) . 1_554
C22B C23B C13B 120.82(15) 2_565 1_554
C158 C151 C156 52.0(19) . .
C158 C151 C152 68(3) . .
C156 C151 C152 112(2) . .
C158 C151 C157 126(2) . .
C156 C151 C157 108.0(18) . .
C152 C151 C157 82.2(14) . .
C159 C154 C155 112(3) . .
C159 C154 C160 136(3) . .
C155 C154 C160 59.6(13) . .
C159 C154 C153 58(2) . .
C155 C154 C153 119.8(15) . .
C160 C154 C153 87.7(17) . .
C153 C152 C158 113(2) . .
C153 C152 C151 105(2) . .
C158 C152 C151 44.9(16) . .
C153 C152 C160 72.8(15) . .
C158 C152 C160 45.4(14) . .
C151 C152 C160 74.6(11) . .
C159 C153 C152 128(2) . .
C159 C153 C154 42.2(13) . .
C152 C153 C154 110.0(19) . .
C159 C153 C157 51.7(14) . .
C152 C153 C157 83.9(17) . .
C154 C153 C157 76.8(16) . .
C156 C155 C154 117.5(18) . .
C156 C155 C160 70.1(18) . .
C154 C155 C160 63.0(15) . .
C156 C155 C159 111.9(16) . .
C154 C155 C159 28.2(15) . .
C160 C155 C159 83.1(18) . .
C158 C156 C151 53(2) . .
C158 C156 C155 109(3) . .
C151 C156 C155 103(2) . .
C158 C156 C160 60(2) . .
C151 C156 C160 92.4(17) . .
C155 C156 C160 55.6(14) . .
C159 C157 C151 109.4(16) . .
C159 C157 C153 46.9(14) . .
C151 C157 C153 79.3(13) . .
C156 C158 C151 75(3) . .
C156 C158 C152 131(2) . .
C151 C158 C152 67.6(19) . .
C156 C158 C160 78(2) . .
C151 C158 C160 115(3) . .
C152 C158 C160 89(2) . .
C154 C159 C153 80(2) . .
C154 C159 C157 114(3) . .
C153 C159 C157 81(2) . .
C154 C159 C155 39.5(18) . .
C153 C159 C155 96.0(19) . .
C157 C159 C155 80.7(15) . .
C155 C160 C154 57.3(17) . .
C155 C160 C158 91.1(18) . .
C154 C160 C158 112.8(15) . .
C155 C160 C156 54.3(15) . .
C154 C160 C156 100.8(15) . .
C158 C160 C156 41.5(14) . .
C155 C160 C152 102.7(14) . .
C154 C160 C152 82.2(12) . .
C158 C160 C152 45.8(14) . .
C156 C160 C152 78.3(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N11A 2.090(2) .
Ni1 N11A 2.091(2) 2_565
Ni1 N21B 2.099(3) .
Ni1 O3A 2.1037(18) .
Ni1 O3A 2.1038(18) 2_565
Ni1 N11B 2.113(3) .
N1A O1A 1.232(3) .
N1A O2A 1.234(3) .
N1A O3A 1.271(3) .
C101 C102 1.392(6) .
C101 C102 1.392(6) 4_556
C102 C103 1.357(7) .
C103 C104 1.356(6) .
C104 C103 1.356(6) 4_556
C111 C112 1.352(7) 4_565
C111 C112 1.352(7) .
C112 C113 1.355(8) .
C113 C114 1.410(7) .
C114 C113 1.410(7) 4_565
C121 C122 1.445(6) 4
C121 C122 1.445(6) .
C122 C123 1.340(7) .
C123 C124 1.322(6) .
C124 C123 1.322(6) 4
C131 C132 1.3900 .
C131 C136 1.3900 .
C132 C133 1.3900 .
C133 C134 1.3900 .
C134 C135 1.3900 .
C135 C136 1.3900 .
C141 C142 1.392(5) 4_566
C141 C142 1.393(5) .
C142 C143 1.372(5) .
C143 C144 1.381(4) .
C144 C143 1.381(4) 4_566
N11A C11A 1.343(3) .
N11A C15A 1.348(3) .
C11A C12A 1.382(4) .
C12A C13A 1.394(4) .
C13A C14A 1.393(4) .
C13A C21A 1.484(4) .
C14A C15A 1.375(4) .
C21A C22A 1.344(5) .
C21A C26A 1.368(4) .
C22A C23A 1.392(5) .
C23A C24A 1.356(6) .
C24A C25A 1.351(5) .
C24A C24A 1.490(6) 5_566
C25A C26A 1.385(4) .
N11B C11B 1.341(3) .
N11B C11B 1.341(3) 2_565
C11B C12B 1.383(3) .
C12B C13B 1.389(3) .
C13B C12B 1.389(3) 2_565
C13B C23B 1.487(4) 1_556
N21B C21B 1.342(3) .
N21B C21B 1.342(3) 2_565
C21B C22B 1.387(3) .
C22B C23B 1.389(3) .
C23B C22B 1.389(3) 2_565
C23B C13B 1.487(4) 1_554
C151 C158 1.11(3) .
C151 C156 1.36(3) .
C151 C152 1.46(3) .
C151 C157 1.72(3) .
C154 C159 1.04(2) .
C154 C155 1.39(3) .
C154 C160 1.48(3) .
C154 C153 1.52(3) .
C152 C153 1.34(3) .
C152 C158 1.46(3) .
C152 C160 2.03(3) .
C153 C159 1.30(3) .
C153 C157 1.76(3) .
C155 C156 1.41(3) .
C155 C160 1.43(3) .
C155 C159 2.03(4) .
C156 C158 1.10(3) .
C156 C160 1.63(3) .
C157 C159 1.40(3) .
C158 C160 1.45(4) .
