#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:14:09 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236807 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/70/7237078.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_7237078
loop_
_publ_author_name
'Yao, Shu-Li'
'Zheng, Teng-Fei'
'Tian, Xue-Mei'
'Liu, Sui-Jun'
'Cao, Chen'
'Zhu, Ze-Hao'
'Chen, Yong-Qiang'
'Chen, Jing-Lin'
'Wen, He-Rui'
_publ_section_title
;
 Dicarboxylate-induced structural diversity of luminescent ZnII/CdII
 coordination polymers derived from V-shaped bis-benzimidazole
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              5822
_journal_paper_doi               10.1039/C8CE01261J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C28 H18 N4 O4 Zn, C3 H7 N O'
_chemical_formula_sum            'C31 H25 N5 O5 Zn'
_chemical_formula_weight         612.95
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-06-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-06-03 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                69.8810(10)
_cell_angle_beta                 72.1480(10)
_cell_angle_gamma                76.809(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3633(5)
_cell_length_b                   12.1048(7)
_cell_length_c                   13.7443(7)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      3.12
_cell_volume                     1379.11(13)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298.15
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20203
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.008
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_min         3.122
_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_T_max  0.8126
_exptl_absorpt_correction_T_min  0.7161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         4843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0320P)²+1.0121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0737
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4299
_reflns_number_total             4843
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01261j2.cif
_cod_data_source_block           3_CCDC1
_cod_database_code               7237078
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.813
_shelx_estimated_absorpt_t_min   0.716
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C9(H9), C11(H11), C12(H12), C13(H13), C14(H14), C19(H19),
 C21(H21), C22(H22), C23(H23), C24(H24), C27(H27), C28(H28), C17(H17), C18(H18),
  C8(H8), C7(H7), C31(H31)
2.b Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C29(H29A,H29B,H29C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -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
Zn1 Zn 0.45411(2) 0.82806(2) 0.19544(2) 0.02342(8) Uani 1 1 d .
O1 O 0.62905(17) 0.90875(14) 0.15015(13) 0.0375(4) Uani 1 1 d .
O2 O 0.6788(2) 0.8854(3) -0.00832(19) 0.0964(10) Uani 1 1 d .
O3 O 0.27478(17) 0.88190(15) 0.29357(12) 0.0392(4) Uani 1 1 d .
O4 O 0.40391(18) 0.91349(16) 0.39070(13) 0.0449(4) Uani 1 1 d .
N1 N 0.35943(18) 0.79189(14) 0.09705(13) 0.0234(4) Uani 1 1 d .
N2 N 0.32601(18) 0.76244(14) -0.04461(13) 0.0238(4) Uani 1 1 d .
N4 N 0.53931(19) 0.65448(15) 0.26680(13) 0.0256(4) Uani 1 1 d .
N3 N 0.6084(2) 0.46059(15) 0.28975(13) 0.0268(4) Uani 1 1 d .
C1 C 0.7128(2) 0.9141(2) 0.0568(2) 0.0363(5) Uani 1 1 d .
C2 C 0.8614(2) 0.95912(18) 0.02830(18) 0.0283(5) Uani 1 1 d .
C3 C 0.9421(2) 0.99187(19) -0.07791(18) 0.0324(5) Uani 1 1 d .
H3 H 0.903221 0.986536 -0.130575 0.039 Uiso 1 1 calc R
C4 C 0.9199(2) 0.96755(19) 0.10604(18) 0.0305(5) Uani 1 1 d .
H4 H 0.866264 0.945872 0.177448 0.037 Uiso 1 1 calc R
C9 C 0.4107(2) 0.80569(17) -0.00621(15) 0.0232(4) Uani 1 1 d .
H9 H 0.496195 0.841452 -0.048268 0.028 Uiso 1 1 calc R
C15 C 0.2086(2) 0.71657(17) 0.04093(16) 0.0247(4) Uani 1 1 d .
C10 C 0.2305(2) 0.73604(17) 0.12902(16) 0.0240(4) Uani 1 1 d .
C11 C 0.1303(2) 0.7026(2) 0.22866(17) 0.0339(5) Uani 1 1 d .
H11 H 0.143744 0.715156 0.288150 0.041 Uiso 1 1 calc R
C12 C 0.0106(3) 0.6501(2) 0.23588(19) 0.0441(6) Uani 1 1 d .
H12 H -0.057563 0.625822 0.301927 0.053 Uiso 1 1 calc R
C13 C -0.0115(3) 0.6323(2) 0.1470(2) 0.0443(6) Uani 1 1 d .
H13 H -0.094644 0.597131 0.155023 0.053 Uiso 1 1 calc R
C14 C 0.0863(2) 0.6652(2) 0.04786(19) 0.0359(5) Uani 1 1 d .
H14 H 0.071303 0.653777 -0.011642 0.043 Uiso 1 1 calc R
C16 C 0.3567(2) 0.75992(18) -0.15228(16) 0.0251(4) Uani 1 1 d .
C19 C 0.5402(2) 0.56432(18) 0.23476(16) 0.0280(5) Uani 1 1 d .
H19 H 0.498010 0.570808 0.179608 0.034 Uiso 1 1 calc R
C20 C 0.6123(2) 0.60798(18) 0.34939(15) 0.0250(4) Uani 1 1 d .
C21 C 0.6454(2) 0.6652(2) 0.41047(17) 0.0322(5) Uani 1 1 d .
H21 H 0.617179 0.746413 0.400189 0.039 Uiso 1 1 calc R
C22 C 0.7216(3) 0.5963(2) 0.48660(18) 0.0410(6) Uani 1 1 d .
H22 H 0.744311 0.631540 0.529448 0.049 Uiso 1 1 calc R
C23 C 0.7657(3) 0.4752(2) 0.50122(19) 0.0439(6) Uani 1 1 d .
H23 H 0.817869 0.431918 0.553320 0.053 Uiso 1 1 calc R
C24 C 0.7349(3) 0.4171(2) 0.44122(17) 0.0374(5) Uani 1 1 d .
H24 H 0.765002 0.336058 0.451105 0.045 Uiso 1 1 calc R
C25 C 0.6565(2) 0.48637(18) 0.36525(16) 0.0265(4) Uani 1 1 d .
C26 C 0.6175(2) 0.34845(18) 0.27301(16) 0.0259(4) Uani 1 1 d .
C27 C 0.5860(3) 0.24845(19) 0.35877(16) 0.0314(5) Uani 1 1 d .
H27 H 0.569167 0.250607 0.428432 0.038 Uiso 1 1 calc R
C28 C 0.5801(3) 0.14519(19) 0.33923(17) 0.0335(5) Uani 1 1 d .
H28 H 0.556872 0.078031 0.396639 0.040 Uiso 1 1 calc R
C17 C 0.3922(2) 0.86039(18) -0.23639(16) 0.0296(5) Uani 1 1 d .
H17 H 0.397225 0.930071 -0.223989 0.036 Uiso 1 1 calc R
C18 C 0.3521(2) 0.65460(18) -0.16898(16) 0.0256(4) Uani 1 1 d .
H18 H 0.328991 0.587432 -0.111549 0.031 Uiso 1 1 calc R
C5 C 0.2856(2) 0.91500(19) 0.36997(17) 0.0303(5) Uani 1 1 d .
C6 C 0.1367(2) 0.95854(19) 0.43696(16) 0.0295(5) Uani 1 1 d .
C8 C -0.0010(3) 0.9443(2) 0.42804(19) 0.0396(6) Uani 1 1 d .
H8 H -0.003004 0.906801 0.379775 0.048 Uiso 1 1 calc R
C7 C 0.1356(3) 1.0145(2) 0.50955(19) 0.0402(6) Uani 1 1 d .
H7 H 0.226993 1.024779 0.516585 0.048 Uiso 1 1 calc R
O5 O 0.3298(6) 0.4137(3) 0.0270(3) 0.204(3) Uani 1 1 d .
N9 N 0.1898(3) 0.3210(2) 0.1812(2) 0.0608(6) Uani 1 1 d .
C30 C 0.2198(6) 0.3475(5) 0.2644(4) 0.1202(18) Uani 1 1 d .
H30A H 0.276116 0.279133 0.303635 0.180 Uiso 1 1 calc GR
H30B H 0.125919 0.368751 0.311607 0.180 Uiso 1 1 calc GR
H30C H 0.277792 0.412630 0.234776 0.180 Uiso 1 1 calc GR
C29 C 0.0835(7) 0.2401(5) 0.2097(4) 0.136(2) Uani 1 1 d .
H29A H -0.015543 0.275270 0.240279 0.203 Uiso 1 1 calc GR
H29B H 0.112879 0.167906 0.260906 0.203 Uiso 1 1 calc GR
H29C H 0.081737 0.222934 0.146896 0.203 Uiso 1 1 calc GR
C31 C 0.2572(6) 0.3668(5) 0.0816(4) 0.149(3) Uani 1 1 d .
H31 H 0.211239 0.340679 0.043969 0.179 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 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2840 1.4300 '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
O1 Zn1 O3 118.25(7) . .
O1 Zn1 N1 125.45(7) . .
O1 Zn1 N4 102.18(7) . .
O3 Zn1 N1 101.11(7) . .
O3 Zn1 N4 110.18(7) . .
N1 Zn1 N4 97.30(6) . .
C1 O1 Zn1 116.86(14) . .
C5 O3 Zn1 121.19(14) . .
C9 N1 Zn1 128.48(14) . .
C9 N1 C10 105.50(16) . .
C10 N1 Zn1 125.78(13) . .
C9 N2 C15 107.22(16) . .
C9 N2 C16 125.78(17) . .
C15 N2 C16 126.94(16) . .
C19 N4 Zn1 123.79(14) . .
C19 N4 C20 105.37(17) . .
C20 N4 Zn1 130.75(13) . .
C19 N3 C25 106.50(16) . .
C19 N3 C26 123.95(17) . .
C25 N3 C26 129.46(17) . .
O1 C1 C2 116.7(2) . .
O2 C1 O1 123.7(2) . .
O2 C1 C2 119.6(2) . .
C3 C2 C1 119.3(2) . .
C4 C2 C1 121.3(2) . .
C4 C2 C3 119.42(19) . .
C2 C3 H3 119.8 . .
C4 C3 C2 120.4(2) 2_775 .
C4 C3 H3 119.8 2_775 .
C2 C4 C3 120.2(2) . 2_775
C2 C4 H4 119.9 . .
C3 C4 H4 119.9 2_775 .
N1 C9 N2 112.78(17) . .
N1 C9 H9 123.6 . .
N2 C9 H9 123.6 . .
C10 C15 N2 105.30(17) . .
C14 C15 N2 132.47(19) . .
C14 C15 C10 122.18(19) . .
C15 C10 N1 109.20(17) . .
C11 C10 N1 130.26(19) . .
C11 C10 C15 120.54(19) . .
C10 C11 H11 121.4 . .
C12 C11 C10 117.3(2) . .
C12 C11 H11 121.4 . .
C11 C12 H12 119.1 . .
C11 C12 C13 121.8(2) . .
C13 C12 H12 119.1 . .
C12 C13 H13 119.2 . .
C14 C13 C12 121.6(2) . .
C14 C13 H13 119.2 . .
C15 C14 H14 121.7 . .
C13 C14 C15 116.6(2) . .
C13 C14 H14 121.7 . .
C17 C16 N2 120.02(18) . .
C17 C16 C18 121.76(18) . .
C18 C16 N2 118.21(18) . .
N4 C19 N3 113.41(18) . .
N4 C19 H19 123.3 . .
N3 C19 H19 123.3 . .
N4 C20 C21 129.64(19) . .
N4 C20 C25 109.55(17) . .
C21 C20 C25 120.80(19) . .
C20 C21 H21 121.5 . .
C22 C21 C20 117.0(2) . .
C22 C21 H21 121.5 . .
C21 C22 H22 119.2 . .
C21 C22 C23 121.7(2) . .
C23 C22 H22 119.2 . .
C22 C23 H23 118.9 . .
C24 C23 C22 122.3(2) . .
C24 C23 H23 118.9 . .
C23 C24 H24 122.0 . .
C23 C24 C25 116.1(2) . .
C25 C24 H24 122.0 . .
C20 C25 N3 105.18(17) . .
C24 C25 N3 132.6(2) . .
C24 C25 C20 122.2(2) . .
C27 C26 N3 120.72(18) . .
C18 C26 N3 117.94(18) 2_665 .
C18 C26 C27 121.18(19) 2_665 .
C26 C27 H27 120.6 . .
C28 C27 C26 118.85(19) . .
C28 C27 H27 120.6 . .
C27 C28 H28 119.3 . .
C17 C28 C27 121.4(2) 2_665 .
C17 C28 H28 119.3 2_665 .
C16 C17 H17 120.8 . .
C28 C17 C16 118.36(19) 2_665 .
C28 C17 H17 120.8 2_665 .
C16 C18 H18 120.8 . .
C26 C18 C16 118.42(18) 2_665 .
C26 C18 H18 120.8 2_665 .
O3 C5 C6 115.00(19) . .
O4 C5 O3 125.19(19) . .
O4 C5 C6 119.81(19) . .
C8 C6 C5 121.87(19) . .
C7 C6 C5 119.9(2) . .
C7 C6 C8 118.3(2) . .
C6 C8 H8 119.8 . .
C7 C8 C6 120.5(2) 2_576 .
C7 C8 H8 119.8 2_576 .
C6 C7 C8 121.3(2) . 2_576
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 2_576 .
C30 N9 C29 117.8(4) . .
C31 N9 C30 121.6(5) . .
C31 N9 C29 120.6(5) . .
N9 C30 H30A 109.5 . .
N9 C30 H30B 109.5 . .
N9 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N9 C29 H29A 109.5 . .
N9 C29 H29B 109.5 . .
N9 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O5 C31 N9 152.0(10) . .
O5 C31 H31 104.0 . .
N9 C31 H31 104.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.9265(14) .
Zn1 O3 1.9442(14) .
Zn1 N1 2.0311(16) .
Zn1 N4 2.0761(17) .
O1 C1 1.271(3) .
O2 C1 1.209(3) .
O3 C5 1.283(3) .
O4 C5 1.221(3) .
N1 C9 1.315(2) .
N1 C10 1.396(3) .
N2 C9 1.348(2) .
N2 C15 1.392(2) .
N2 C16 1.428(2) .
N4 C19 1.308(3) .
N4 C20 1.390(3) .
N3 C19 1.354(3) .
N3 C25 1.396(3) .
N3 C26 1.433(3) .
C1 C2 1.501(3) .
C2 C3 1.386(3) .
C2 C4 1.382(3) .
C3 H3 0.9300 .
C3 C4 1.384(3) 2_775
C4 H4 0.9300 .
C9 H9 0.9300 .
C15 C10 1.391(3) .
C15 C14 1.387(3) .
C10 C11 1.387(3) .
C11 H11 0.9300 .
C11 C12 1.372(3) .
C12 H12 0.9300 .
C12 C13 1.393(4) .
C13 H13 0.9300 .
C13 C14 1.372(3) .
C14 H14 0.9300 .
C16 C17 1.381(3) .
C16 C18 1.383(3) .
C19 H19 0.9300 .
C20 C21 1.392(3) .
C20 C25 1.394(3) .
C21 H21 0.9300 .
C21 C22 1.373(3) .
C22 H22 0.9300 .
C22 C23 1.390(4) .
C23 H23 0.9300 .
C23 C24 1.377(3) .
C24 H24 0.9300 .
C24 C25 1.386(3) .
C26 C27 1.382(3) .
C26 C18 1.382(3) 2_665
C27 H27 0.9300 .
C27 C28 1.382(3) .
C28 H28 0.9300 .
C28 C17 1.379(3) 2_665
C17 H17 0.9300 .
C18 H18 0.9300 .
C5 C6 1.510(3) .
C6 C8 1.385(3) .
C6 C7 1.382(3) .
C8 H8 0.9300 .
C8 C7 1.385(3) 2_576
C7 H7 0.9300 .
O5 C31 0.958(6) .
N9 C30 1.407(5) .
N9 C29 1.430(5) .
N9 C31 1.299(5) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C31 H31 0.9300 .
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
Zn1 O1 C1 O2 9.6(4) . .
Zn1 O1 C1 C2 -170.41(14) . .
Zn1 O3 C5 O4 -2.0(3) . .
Zn1 O3 C5 C6 177.91(14) . .
Zn1 N1 C9 N2 174.25(13) . .
Zn1 N1 C10 C15 -174.38(13) . .
Zn1 N1 C10 C11 6.6(3) . .
Zn1 N4 C19 N3 176.76(13) . .
Zn1 N4 C20 C21 2.1(3) . .
Zn1 N4 C20 C25 -176.53(14) . .
O1 C1 C2 C3 -165.9(2) . .
O1 C1 C2 C4 14.7(3) . .
O2 C1 C2 C3 14.1(4) . .
O2 C1 C2 C4 -165.3(3) . .
O3 C5 C6 C8 10.6(3) . .
O3 C5 C6 C7 -169.3(2) . .
O4 C5 C6 C8 -169.4(2) . .
O4 C5 C6 C7 10.7(3) . .
N1 C10 C11 C12 179.0(2) . .
N2 C15 C10 N1 -0.4(2) . .
N2 C15 C10 C11 178.76(19) . .
N2 C15 C14 C13 -178.3(2) . .
N2 C16 C17 C28 -179.51(19) . 2_665
N2 C16 C18 C26 -179.61(18) . 2_665
N4 C20 C21 C22 -179.0(2) . .
N4 C20 C25 N3 0.1(2) . .
N4 C20 C25 C24 178.55(19) . .
N3 C26 C27 C28 173.1(2) . .
C1 C2 C3 C4 -179.32(19) . 2_775
C1 C2 C4 C3 179.32(19) . 2_775
C3 C2 C4 C3 -0.1(3) . 2_775
C4 C2 C3 C4 0.1(3) . 2_775
C9 N1 C10 C15 0.5(2) . .
C9 N1 C10 C11 -178.5(2) . .
C9 N2 C15 C10 0.1(2) . .
C9 N2 C15 C14 177.6(2) . .
C9 N2 C16 C17 -47.7(3) . .
C9 N2 C16 C18 131.3(2) . .
C15 N2 C9 N1 0.2(2) . .
C15 N2 C16 C17 135.4(2) . .
C15 N2 C16 C18 -45.6(3) . .
C15 C10 C11 C12 0.1(3) . .
C10 N1 C9 N2 -0.4(2) . .
C10 C15 C14 C13 -1.2(3) . .
C10 C11 C12 C13 -0.8(4) . .
C11 C12 C13 C14 0.7(4) . .
C12 C13 C14 C15 0.4(4) . .
C14 C15 C10 N1 -178.16(19) . .
C14 C15 C10 C11 1.0(3) . .
C16 N2 C9 N1 -177.19(17) . .
C16 N2 C15 C10 177.47(18) . .
C16 N2 C15 C14 -5.1(4) . .
C19 N4 C20 C21 178.6(2) . .
C19 N4 C20 C25 -0.1(2) . .
C19 N3 C25 C20 -0.1(2) . .
C19 N3 C25 C24 -178.3(2) . .
C19 N3 C26 C27 -134.5(2) . .
C19 N3 C26 C18 41.0(3) . 2_665
C20 N4 C19 N3 0.0(2) . .
C20 C21 C22 C23 0.9(3) . .
C21 C20 C25 N3 -178.66(18) . .
C21 C20 C25 C24 -0.2(3) . .
C21 C22 C23 C24 -0.5(4) . .
C22 C23 C24 C25 -0.2(4) . .
C23 C24 C25 N3 178.5(2) . .
C23 C24 C25 C20 0.6(3) . .
C25 N3 C19 N4 0.1(2) . .
C25 N3 C26 C27 41.6(3) . .
C25 N3 C26 C18 -142.9(2) . 2_665
C25 C20 C21 C22 -0.5(3) . .
C26 N3 C19 N4 176.97(18) . .
C26 N3 C25 C20 -176.78(19) . .
C26 N3 C25 C24 5.0(4) . .
C26 C27 C28 C17 1.4(3) . 2_665
C17 C16 C18 C26 -0.7(3) . 2_665
C18 C16 C17 C28 1.6(3) . 2_665
C18 C26 C27 C28 -2.3(3) 2_665 .
C5 C6 C8 C7 -179.8(2) . 2_576
C5 C6 C7 C8 179.9(2) . 2_576
C8 C6 C7 C8 -0.1(4) . 2_576
C7 C6 C8 C7 0.1(4) . 2_576
C30 N9 C31 O5 4.9(12) . .
C29 N9 C31 O5 -174.2(10) . .
