#------------------------------------------------------------------------------
#$Date: 2020-11-12 07:12:31 +0200 (Thu, 12 Nov 2020) $
#$Revision: 259105 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/86/2108684.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_2108684
loop_
_publ_author_name
'Zhang, Xiaoyu'
'Yang, Qinglin'
'Yun, Meng'
'Si, Changdai'
'An, Ning'
'Jia, Meimei'
'Liu, Jiacheng'
'Dong, Xiuyan'
_publ_section_title
;
 Seven new metal--organic frameworks assembled from semi-rigid
 polycarboxylate and auxiliary N-donor ligands: syntheses, structures and
 properties
;
_journal_coeditor_code           RM5037SUP1
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520620012834
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac
'[Zn2 (C16 H6 O9) (C10 H8 N2) (H2 O1)2], H2 O'
_chemical_formula_moiety         'C26 H20 N2 O12 Zn2'
_chemical_formula_sum            'C26 H20 N2 O12 Zn2'
_chemical_formula_weight         683.18
_chemical_name_systematic
'Poly[[diaqua(μ-4,4'-bipyridine)[μ₅-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)] monohydrate]'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.441(2)
_cell_angle_beta                 88.9860(10)
_cell_angle_gamma                72.182(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8759(8)
_cell_length_b                   8.0318(8)
_cell_length_c                   20.590(2)
_cell_measurement_reflns_used    3214
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.67
_cell_volume                     1237.6(2)
_computing_cell_refinement       'SMART (Bruker, 2008)'
_computing_data_collection       'SMART (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX 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  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            6953
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         0.99
_exptl_absorpt_coefficient_mu    2.014
_exptl_absorpt_correction_T_max  0.6657
_exptl_absorpt_correction_T_min  0.6025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.499
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4348
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0319
_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)+(0.0318P)²+1.5428P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                3723
_reflns_number_total             4348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            rm5037sup1.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               2108684
_publcif_datablock.id            {f29d394f-ab6e-4d08-a085-471c53232639}
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.73589(5) 0.23279(5) -0.075769(16) 0.02473(11) Uani 1 1 d . . .
Zn2 Zn 1.33829(4) -0.49606(5) 0.443107(16) 0.02216(11) Uani 1 1 d . . .
C1 C 0.0244(4) 0.4209(4) -0.39012(14) 0.0245(7) Uani 1 1 d . . .
H1 H 0.0536 0.3720 -0.4302 0.029 Uiso 1 1 calc R . .
C2 C 0.1592(4) 0.4033(4) -0.34604(14) 0.0248(7) Uani 1 1 d . . .
H2 H 0.2768 0.3459 -0.3569 0.030 Uiso 1 1 calc R . .
C3 C 0.1194(4) 0.4714(4) -0.28545(14) 0.0220(6) Uani 1 1 d . . .
C4 C -0.0575(4) 0.5649(4) -0.27336(15) 0.0303(7) Uani 1 1 d . . .
H4 H -0.0896 0.6171 -0.2340 0.036 Uiso 1 1 calc R . .
C5 C -0.1847(4) 0.5793(4) -0.32039(15) 0.0290(7) Uani 1 1 d . . .
H5 H -0.3021 0.6434 -0.3119 0.035 Uiso 1 1 calc R . .
C6 C 0.2594(4) 0.4369(4) -0.23430(15) 0.0245(7) Uani 1 1 d . . .
C7 C 0.4359(4) 0.4213(5) -0.24985(15) 0.0302(7) Uani 1 1 d . . .
H7 H 0.4668 0.4476 -0.2922 0.036 Uiso 1 1 calc R . .
C8 C 0.5648(4) 0.3664(5) -0.20208(15) 0.0305(8) Uani 1 1 d . . .
H8 H 0.6821 0.3576 -0.2133 0.037 Uiso 1 1 calc R . .
C9 C 0.3584(4) 0.3473(5) -0.12487(15) 0.0311(8) Uani 1 1 d . . .
H9 H 0.3305 0.3244 -0.0818 0.037 Uiso 1 1 calc R . .
C10 C 0.2210(4) 0.4027(5) -0.16992(15) 0.0314(8) Uani 1 1 d . . .
H10C H 0.1039 0.4167 -0.1570 0.038 Uiso 1 1 calc R . .
C11 C 0.6203(4) 0.1776(4) 0.04078(15) 0.0264(7) Uani 1 1 d . . .
C12 C 0.6068(4) 0.1199(4) 0.11071(14) 0.0226(6) Uani 1 1 d . . .
C13 C 0.4369(4) 0.1340(4) 0.13529(16) 0.0292(7) Uani 1 1 d . . .
H13 H 0.3373 0.1812 0.1087 0.035 Uiso 1 1 calc R . .
C14 C 0.4160(4) 0.0779(4) 0.19907(16) 0.0304(7) Uani 1 1 d . . .
H14 H 0.3028 0.0855 0.2150 0.037 Uiso 1 1 calc R . .
C15 C 0.5625(4) 0.0111(4) 0.23901(15) 0.0284(7) Uani 1 1 d . . .
H15 H 0.5491 -0.0263 0.2819 0.034 Uiso 1 1 calc R . .
C16 C 0.7297(4) 0.0002(4) 0.21449(14) 0.0223(6) Uani 1 1 d . . .
C17 C 0.7565(4) 0.0505(4) 0.15042(14) 0.0211(6) Uani 1 1 d . . .
C18 C 0.9208(4) -0.0121(4) 0.30611(13) 0.0220(6) Uani 1 1 d . . .
C19 C 1.0937(4) -0.0892(4) 0.32871(14) 0.0228(6) Uani 1 1 d . . .
H19 H 1.1724 -0.1773 0.3060 0.027 Uiso 1 1 calc R . .
C20 C 1.1489(4) -0.0354(4) 0.38480(14) 0.0221(6) Uani 1 1 d . . .
C21 C 1.0306(4) 0.0955(4) 0.41910(14) 0.0225(6) Uani 1 1 d . . .
H21A H 1.0675 0.1330 0.4567 0.027 Uiso 1 1 calc R . .
C22 C 0.8574(4) 0.1693(4) 0.39669(14) 0.0203(6) Uani 1 1 d . . .
C23 C 0.8022(4) 0.1170(4) 0.33918(14) 0.0233(7) Uani 1 1 d . . .
H23 H 0.6867 0.1690 0.3236 0.028 Uiso 1 1 calc R . .
C24 C 0.7243(4) 0.3043(4) 0.43387(14) 0.0212(6) Uani 1 1 d . . .
C25 C 1.3381(4) -0.1182(4) 0.40713(15) 0.0284(7) Uani 1 1 d . . .
C26 C 0.9474(4) 0.0263(4) 0.12825(14) 0.0268(7) Uani 1 1 d . . .
N1 N 0.5295(3) 0.3253(3) -0.14032(12) 0.0250(6) Uani 1 1 d . . .
N2 N -0.1473(3) 0.5053(3) -0.37787(12) 0.0237(6) Uani 1 1 d . . .
O1 O 0.5019(3) 0.3014(3) 0.01521(11) 0.0418(6) Uani 1 1 d . . .
O2 O 0.7567(3) 0.0940(3) 0.00872(11) 0.0354(6) Uani 1 1 d . . .
O3 O 1.0355(3) -0.1319(3) 0.11834(11) 0.0366(6) Uani 1 1 d . . .
O4 O 1.0032(3) 0.1531(4) 0.12456(13) 0.0466(7) Uani 1 1 d . . .
O5 O 1.4097(3) -0.2797(3) 0.39973(11) 0.0295(5) Uani 1 1 d . . .
O6 O 1.4182(3) -0.0249(4) 0.42996(15) 0.0560(8) Uani 1 1 d . . .
O7 O 0.7759(3) 0.3472(3) 0.48585(10) 0.0314(5) Uani 1 1 d . . .
O8 O 0.5708(3) 0.3636(3) 0.41035(11) 0.0299(5) Uani 1 1 d . . .
O9 O 0.8842(3) -0.0801(3) 0.25002(10) 0.0300(5) Uani 1 1 d . . .
O10 O 1.3170(3) -0.7246(3) 0.49485(11) 0.0324(5) Uani 1 1 d . . .
H10A H 1.3362 -0.8172 0.4724 0.039 Uiso 1 1 d R . .
H10B H 1.3730 -0.7625 0.5259 0.039 Uiso 1 1 d R . .
O11 O 0.7834(3) 0.4583(3) -0.06460(12) 0.0388(6) Uani 1 1 d . . .
H11A H 0.6978 0.5504 -0.0522 0.047 Uiso 1 1 d R . .
H11B H 0.8838 0.4388 -0.0428 0.047 Uiso 1 1 d R . .
O1W O 0.0842(3) 0.2850(3) 0.00282(13) 0.0447(6) Uani 1 1 d . . .
H1WA H 0.0508 0.2628 0.0431 0.054 Uiso 1 1 d R . .
H1WB H 0.1122 0.1720 -0.0116 0.054 Uiso 1 1 d 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'
Zn Zn 0.2839 1.4301 '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
_geom_angle_publ_flag
O3 Zn1 O11 92.95(10) 2_755 . ?
O3 Zn1 O2 104.25(10) 2_755 . ?
O11 Zn1 O2 110.81(10) . . ?
O3 Zn1 N1 112.76(10) 2_755 . ?
O11 Zn1 N1 97.63(10) . . ?
O2 Zn1 N1 131.59(10) . . ?
O8 Zn2 O7 142.94(9) 1_645 2_756 ?
O8 Zn2 N2 107.52(10) 1_645 2_655 ?
O7 Zn2 N2 109.52(10) 2_756 2_655 ?
O8 Zn2 O10 88.46(9) 1_645 . ?
O7 Zn2 O10 92.07(9) 2_756 . ?
N2 Zn2 O10 90.93(9) 2_655 . ?
O8 Zn2 O5 84.41(9) 1_645 . ?
O7 Zn2 O5 88.45(9) 2_756 . ?
N2 Zn2 O5 99.45(9) 2_655 . ?
O10 Zn2 O5 168.79(8) . . ?
N2 C1 C2 122.9(3) . . ?
N2 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 119.9(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 C4 117.4(3) . . ?
C2 C3 C6 120.9(3) . . ?
C4 C3 C6 121.6(3) . . ?
C5 C4 C3 119.2(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N2 C5 C4 123.3(3) . . ?
N2 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
C10 C6 C7 117.4(3) . . ?
C10 C6 C3 120.6(3) . . ?
C7 C6 C3 121.7(3) . . ?
C8 C7 C6 119.5(3) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
N1 C8 C7 123.2(3) . . ?
N1 C8 H8 118.4 . . ?
C7 C8 H8 118.4 . . ?
N1 C9 C10 123.1(3) . . ?
N1 C9 H9 118.4 . . ?
C10 C9 H9 118.4 . . ?
C6 C10 C9 119.5(3) . . ?
C6 C10 H10C 120.3 . . ?
C9 C10 H10C 120.3 . . ?
O1 C11 O2 121.5(3) . . ?
O1 C11 C12 120.5(3) . . ?
O2 C11 C12 118.0(3) . . ?
C17 C12 C13 120.2(3) . . ?
C17 C12 C11 122.3(3) . . ?
C13 C12 C11 117.5(3) . . ?
C14 C13 C12 120.3(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 120.1(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 119.1(3) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C15 C16 O9 122.1(3) . . ?
C15 C16 C17 122.5(3) . . ?
O9 C16 C17 115.0(3) . . ?
C16 C17 C12 117.8(3) . . ?
C16 C17 C26 117.8(3) . . ?
C12 C17 C26 124.4(3) . . ?
C23 C18 O9 125.6(3) . . ?
C23 C18 C19 120.8(3) . . ?
O9 C18 C19 113.6(3) . . ?
C20 C19 C18 120.1(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.0(3) . . ?
C19 C20 C25 118.8(3) . . ?
C21 C20 C25 121.2(3) . . ?
C22 C21 C20 119.4(3) . . ?
C22 C21 H21A 120.3 . . ?
C20 C21 H21A 120.3 . . ?
C21 C22 C23 120.7(3) . . ?
C21 C22 C24 120.9(3) . . ?
C23 C22 C24 118.4(3) . . ?
C18 C23 C22 119.0(3) . . ?
C18 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
O8 C24 O7 125.8(3) . . ?
O8 C24 C22 116.8(3) . . ?
O7 C24 C22 117.4(3) . . ?
O6 C25 O5 123.1(3) . . ?
O6 C25 C20 118.7(3) . . ?
O5 C25 C20 118.2(3) . . ?
O4 C26 O3 126.9(3) . . ?
O4 C26 C17 119.1(3) . . ?
O3 C26 C17 113.9(3) . . ?
C8 N1 C9 117.1(3) . . ?
C8 N1 Zn1 119.0(2) . . ?
C9 N1 Zn1 123.9(2) . . ?
C1 N2 C5 117.1(3) . . ?
C1 N2 Zn2 118.9(2) . 2_655 ?
C5 N2 Zn2 123.8(2) . 2_655 ?
C11 O2 Zn1 104.12(19) . . ?
C26 O3 Zn1 131.5(2) . 2_755 ?
C25 O5 Zn2 128.7(2) . . ?
C24 O7 Zn2 135.6(2) . 2_756 ?
C24 O8 Zn2 134.7(2) . 1_465 ?
C18 O9 C16 121.4(2) . . ?
Zn2 O10 H10A 116.0 . . ?
Zn2 O10 H10B 121.2 . . ?
H10A O10 H10B 101.9 . . ?
Zn1 O11 H11A 120.7 . . ?
Zn1 O11 H11B 109.6 . . ?
H11A O11 H11B 113.1 . . ?
H1WA O1W H1WB 98.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O3 1.951(2) 2_755 ?
Zn1 O11 1.986(2) . ?
Zn1 O2 1.988(2) . ?
Zn1 N1 2.043(2) . ?
Zn2 O8 1.966(2) 1_645 ?
Zn2 O7 1.973(2) 2_756 ?
Zn2 N2 2.055(2) 2_655 ?
Zn2 O10 2.115(2) . ?
Zn2 O5 2.126(2) . ?
C1 N2 1.341(4) . ?
C1 C2 1.378(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.385(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.392(4) . ?
C3 C6 1.490(4) . ?
C4 C5 1.380(4) . ?
C4 H4 0.9300 . ?
C5 N2 1.345(4) . ?
C5 H5 0.9300 . ?
C6 C10 1.384(4) . ?
C6 C7 1.391(4) . ?
C7 C8 1.378(4) . ?
C7 H7 0.9300 . ?
C8 N1 1.340(4) . ?
C8 H8 0.9300 . ?
C9 N1 1.340(4) . ?
C9 C10 1.385(4) . ?
C9 H9 0.9300 . ?
C10 H10C 0.9300 . ?
C11 O1 1.233(4) . ?
C11 O2 1.276(4) . ?
C11 C12 1.497(4) . ?
C12 C17 1.395(4) . ?
C12 C13 1.396(4) . ?
C13 C14 1.385(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.377(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(4) . ?
C15 H15 0.9300 . ?
C16 O9 1.387(3) . ?
C16 C17 1.387(4) . ?
C17 C26 1.521(4) . ?
C18 C23 1.373(4) . ?
C18 O9 1.379(4) . ?
C18 C19 1.387(4) . ?
C19 C20 1.380(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.394(4) . ?
C20 C25 1.501(4) . ?
C21 C22 1.385(4) . ?
C21 H21A 0.9300 . ?
C22 C23 1.400(4) . ?
C22 C24 1.497(4) . ?
C23 H23 0.9300 . ?
C24 O8 1.250(4) . ?
C24 O7 1.256(4) . ?
C25 O6 1.235(4) . ?
C25 O5 1.264(4) . ?
C26 O4 1.225(4) . ?
C26 O3 1.274(4) . ?
N2 Zn2 2.055(2) 2_655 ?
O3 Zn1 1.951(2) 2_755 ?
O7 Zn2 1.972(2) 2_756 ?
O8 Zn2 1.967(2) 1_465 ?
O10 H10A 0.8719 . ?
O10 H10B 0.7748 . ?
O11 H11A 0.8826 . ?
O11 H11B 0.8832 . ?
O1W H1WA 0.8888 . ?
O1W H1WB 0.9330 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C1 C2 C3 1.4(5) . . . . ?
C1 C2 C3 C4 -3.7(5) . . . . ?
C1 C2 C3 C6 173.1(3) . . . . ?
C2 C3 C4 C5 2.7(5) . . . . ?
C6 C3 C4 C5 -174.1(3) . . . . ?
C3 C4 C5 N2 0.8(5) . . . . ?
C2 C3 C6 C10 -139.8(3) . . . . ?
C4 C3 C6 C10 36.8(5) . . . . ?
C2 C3 C6 C7 33.9(5) . . . . ?
C4 C3 C6 C7 -149.5(3) . . . . ?
C10 C6 C7 C8 2.6(5) . . . . ?
C3 C6 C7 C8 -171.4(3) . . . . ?
C6 C7 C8 N1 0.5(6) . . . . ?
C7 C6 C10 C9 -2.9(5) . . . . ?
C3 C6 C10 C9 171.1(3) . . . . ?
N1 C9 C10 C6 0.3(6) . . . . ?
O1 C11 C12 C17 -147.5(3) . . . . ?
O2 C11 C12 C17 33.1(5) . . . . ?
O1 C11 C12 C13 34.0(5) . . . . ?
O2 C11 C12 C13 -145.4(3) . . . . ?
C17 C12 C13 C14 -0.5(5) . . . . ?
C11 C12 C13 C14 178.1(3) . . . . ?
C12 C13 C14 C15 1.3(5) . . . . ?
C13 C14 C15 C16 -0.3(5) . . . . ?
C14 C15 C16 O9 -174.1(3) . . . . ?
C14 C15 C16 C17 -1.5(5) . . . . ?
C15 C16 C17 C12 2.2(5) . . . . ?
O9 C16 C17 C12 175.3(3) . . . . ?
C15 C16 C17 C26 -177.8(3) . . . . ?
O9 C16 C17 C26 -4.8(4) . . . . ?
C13 C12 C17 C16 -1.2(5) . . . . ?
C11 C12 C17 C16 -179.7(3) . . . . ?
C13 C12 C17 C26 178.9(3) . . . . ?
C11 C12 C17 C26 0.3(5) . . . . ?
C23 C18 C19 C20 -0.5(5) . . . . ?
O9 C18 C19 C20 -179.4(3) . . . . ?
C18 C19 C20 C21 0.5(5) . . . . ?
C18 C19 C20 C25 -178.5(3) . . . . ?
C19 C20 C21 C22 0.6(5) . . . . ?
C25 C20 C21 C22 179.6(3) . . . . ?
C20 C21 C22 C23 -1.8(5) . . . . ?
C20 C21 C22 C24 177.2(3) . . . . ?
O9 C18 C23 C22 178.2(3) . . . . ?
C19 C18 C23 C22 -0.6(5) . . . . ?
C21 C22 C23 C18 1.8(5) . . . . ?
C24 C22 C23 C18 -177.2(3) . . . . ?
C21 C22 C24 O8 -179.7(3) . . . . ?
C23 C22 C24 O8 -0.8(4) . . . . ?
C21 C22 C24 O7 -0.1(4) . . . . ?
C23 C22 C24 O7 178.9(3) . . . . ?
C19 C20 C25 O6 140.7(3) . . . . ?
C21 C20 C25 O6 -38.4(5) . . . . ?
C19 C20 C25 O5 -37.1(4) . . . . ?
C21 C20 C25 O5 143.8(3) . . . . ?
C16 C17 C26 O4 -100.7(4) . . . . ?
C12 C17 C26 O4 79.2(4) . . . . ?
C16 C17 C26 O3 76.0(4) . . . . ?
C12 C17 C26 O3 -104.0(4) . . . . ?
C7 C8 N1 C9 -3.1(5) . . . . ?
C7 C8 N1 Zn1 176.6(3) . . . . ?
C10 C9 N1 C8 2.8(5) . . . . ?
C10 C9 N1 Zn1 -177.0(3) . . . . ?
O3 Zn1 N1 C8 -22.3(3) 2_755 . . . ?
O11 Zn1 N1 C8 74.2(3) . . . . ?
O2 Zn1 N1 C8 -159.1(2) . . . . ?
O3 Zn1 N1 C9 157.5(3) 2_755 . . . ?
O11 Zn1 N1 C9 -106.1(3) . . . . ?
O2 Zn1 N1 C9 20.7(3) . . . . ?
C2 C1 N2 C5 2.0(5) . . . . ?
C2 C1 N2 Zn2 -172.6(2) . . . 2_655 ?
C4 C5 N2 C1 -3.2(5) . . . . ?
C4 C5 N2 Zn2 171.2(3) . . . 2_655 ?
O1 C11 O2 Zn1 8.1(4) . . . . ?
C12 C11 O2 Zn1 -172.5(2) . . . . ?
O3 Zn1 O2 C11 169.7(2) 2_755 . . . ?
O11 Zn1 O2 C11 70.9(2) . . . . ?
N1 Zn1 O2 C11 -50.9(3) . . . . ?
O4 C26 O3 Zn1 -16.1(5) . . . 2_755 ?
C17 C26 O3 Zn1 167.5(2) . . . 2_755 ?
O6 C25 O5 Zn2 118.2(3) . . . . ?
C20 C25 O5 Zn2 -64.1(4) . . . . ?
O8 Zn2 O5 C25 -166.8(3) 1_645 . . . ?
O7 Zn2 O5 C25 -23.3(3) 2_756 . . . ?
N2 Zn2 O5 C25 86.3(3) 2_655 . . . ?
O10 Zn2 O5 C25 -116.1(4) . . . . ?
O8 C24 O7 Zn2 5.9(5) . . . 2_756 ?
C22 C24 O7 Zn2 -173.7(2) . . . 2_756 ?
O7 C24 O8 Zn2 -12.9(5) . . . 1_465 ?
C22 C24 O8 Zn2 166.8(2) . . . 1_465 ?
C23 C18 O9 C16 12.3(5) . . . . ?
C19 C18 O9 C16 -168.8(3) . . . . ?
C15 C16 O9 C18 -65.7(4) . . . . ?
C17 C16 O9 C18 121.2(3) . . . . ?

_cod_database_fobs_code 2108684
