#------------------------------------------------------------------------------
#$Date: 2019-07-06 06:57:19 +0300 (Sat, 06 Jul 2019) $
#$Revision: 216791 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/17/2021708.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_2021708
loop_
_publ_author_name
'Shao, Zhi-Chao'
'Meng, Xiang-Ru'
'Hou, Hong-Wei'
_publ_section_title
;
 Two new CdII and ZnII coordination polymers incorporating
 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and
 characterization
;
_journal_coeditor_code           CU3148
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619009227
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Zn3 (C9 H4 N O6)2 (H2 O)3], 2H2 O'
_chemical_formula_moiety         'C18 H14 N2 O15 Zn3, 2(H2 O)'
_chemical_formula_sum            'C18 H18 N2 O17 Zn3'
_chemical_formula_weight         730.45
_chemical_name_systematic
;
Poly[[bis(μ₅-1-aminobenzene-3,4,5-tricarboxylato)triaquatrizinc(II)]
dihydrate]
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                102.6200(10)
_cell_angle_beta                 95.8600(10)
_cell_angle_gamma                99.1500(10)
_cell_formula_units_Z            2
_cell_length_a                   7.2480(3)
_cell_length_b                   9.3135(3)
_cell_length_c                   17.2244(6)
_cell_measurement_reflns_used    9818
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.28
_cell_volume                     1108.83(7)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37612
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.572
_diffrn_reflns_theta_min         2.281
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.942
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0281
_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)+(0.0360P)²+1.9472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0721
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                4499
_reflns_number_total             5127
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cu3148sup1.cif
_cod_data_source_block           II
_cod_database_code               2021708
_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_min   0.692
_shelx_estimated_absorpt_t_max   0.712
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_occupancy
Zn Zn1 0.87219(5) 0.69503(3) 0.11907(2) 0.02115(8) Uani d 1
Zn Zn2 0.60872(4) 0.43581(3) 0.75121(2) 0.02023(8) Uani d 1
Zn Zn3 0.64942(5) 0.35556(3) 0.39787(2) 0.02101(8) Uani d 1
O O1 0.8732(5) 0.1089(3) -0.10728(15) 0.0583(8) Uani d 1
O O2 0.9912(4) 0.3163(3) -0.02030(18) 0.0526(7) Uani d 1
O O3 0.6403(3) 0.4457(2) 0.04913(11) 0.0239(4) Uani d 1
O O4 0.8967(3) 0.49141(19) 0.13778(11) 0.0214(4) Uani d 1
O O5 0.5195(3) 0.3817(2) 0.20643(12) 0.0294(4) Uani d 1
O O6 0.6518(3) 0.2572(2) 0.28748(11) 0.0312(5) Uani d 1
O O7 0.3606(3) 0.0614(2) 0.37549(12) 0.0342(5) Uani d 1
O O8 0.4556(3) 0.2868(2) 0.45816(12) 0.0303(5) Uani d 1
O O9 0.2285(3) 0.42890(19) 0.57425(12) 0.0253(4) Uani d 1
O O10 0.5100(3) 0.4258(2) 0.63313(11) 0.0268(4) Uani d 1
O O11 0.0737(3) 0.1913(2) 0.76341(11) 0.0236(4) Uani d 1
O O12 0.3554(3) 0.3168(2) 0.76381(12) 0.0278(4) Uani d 1
O O13 0.6814(3) 0.4505(2) 0.87674(12) 0.0310(5) Uani d 1
H H13A 0.788445 0.490823 0.904287 0.046 Uiso d 1
H H13B 0.615725 0.502643 0.905397 0.046 Uiso d 1
O O14 0.8587(3) 0.5704(2) 0.74974(13) 0.0310(5) Uani d 1
H H14A 0.956955 0.567734 0.780509 0.046 Uiso d 1
H H14B 0.863525 0.663484 0.753459 0.046 Uiso d 1
O O15 0.7138(3) 0.2368(3) 0.72031(15) 0.0449(6) Uani d 1
H H15A 0.658116 0.152598 0.690542 0.067 Uiso d 1
H H15B 0.820396 0.211448 0.728392 0.067 Uiso d 1
O O16 0.8303(4) 0.8547(3) 0.75834(16) 0.0506(7) Uani d 1
H H16A 0.755036 0.867714 0.720395 0.076 Uiso d 1
H H16B 0.852306 0.925434 0.800595 0.076 Uiso d 1
O O17 0.1410(5) -0.5145(5) 0.4118(2) 0.1028(14) Uani d 1
H H17A 0.260734 -0.502696 0.416939 0.154 Uiso d 1
H H17B 0.107064 -0.525946 0.361789 0.154 Uiso d 1
N N1 0.6377(3) -0.2270(2) 0.07737(13) 0.0208(4) Uani d 1
H H1A 0.584140 -0.279830 0.027787 0.025 Uiso d 1
H H1B 0.555410 -0.246730 0.111117 0.025 Uiso d 1
N N2 0.1225(4) -0.2760(2) 0.55083(15) 0.0293(5) Uani d 1
H H2A 0.029846 -0.300628 0.579215 0.035 Uiso d 1
H H2B 0.099926 -0.323508 0.498405 0.035 Uiso d 1
C C1 0.8841(5) 0.1894(4) -0.04009(19) 0.0322(7) Uani d 1
C C2 0.7584(4) 0.4019(3) 0.09098(14) 0.0162(5) Uani d 1
C C3 0.6059(4) 0.2843(3) 0.22040(15) 0.0179(5) Uani d 1
C C4 0.6618(3) 0.1819(3) 0.14981(14) 0.0158(5) Uani d 1
C C5 0.7369(3) 0.2369(3) 0.08828(14) 0.0157(5) Uani d 1
C C6 0.7824(4) 0.1368(3) 0.02302(15) 0.0190(5) Uani d 1
C C7 0.7446(4) -0.0166(3) 0.01857(15) 0.0196(5) Uani d 1
H H7A 0.770117 -0.083545 -0.025813 0.024 Uiso calc 1
C C8 0.6690(4) -0.0699(3) 0.08004(15) 0.0174(5) Uani d 1
C C9 0.6324(4) 0.0295(3) 0.14634(15) 0.0181(5) Uani d 1
H H9A 0.587864 -0.005792 0.188749 0.022 Uiso calc 1
C C10 0.3739(4) 0.1496(3) 0.44142(15) 0.0208(5) Uani d 1
C C11 0.3499(4) 0.3586(3) 0.59759(14) 0.0175(5) Uani d 1
C C12 0.2152(4) 0.2219(3) 0.72843(15) 0.0171(5) Uani d 1
C C13 0.2154(3) 0.1308(3) 0.64504(14) 0.0161(5) Uani d 1
C C14 0.2900(3) 0.1916(3) 0.58424(14) 0.0147(5) Uani d 1
C C15 0.2950(4) 0.0952(3) 0.51016(14) 0.0169(5) Uani d 1
C C16 0.2331(4) -0.0590(3) 0.49859(15) 0.0203(5) Uani d 1
H H16C 0.237880 -0.122937 0.449427 0.024 Uiso calc 1
C C17 0.1647(4) -0.1175(3) 0.55947(16) 0.0200(5) Uani d 1
C C18 0.1518(4) -0.0222(3) 0.63174(16) 0.0192(5) Uani d 1
H H18A 0.100108 -0.061119 0.671735 0.023 Uiso calc 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O4 Zn1 O11 . 2_666 96.74(8) y
O4 Zn1 O2 . 2_765 97.91(8) y
O11 Zn1 O2 2_666 2_765 136.57(10) y
O4 Zn1 N1 . 1_565 130.45(8) y
O11 Zn1 N1 2_666 1_565 102.11(8) y
O2 Zn1 N1 2_765 1_565 98.81(10) y
O4 Zn1 O1 . 2_765 126.91(9) y
O11 Zn1 O1 2_666 2_765 82.03(8) y
O2 Zn1 O1 2_765 2_765 56.69(10) y
N1 Zn1 O1 1_565 2_765 101.02(9) y
O4 Zn1 C1 . 2_765 116.58(8) ?
O11 Zn1 C1 2_666 2_765 109.55(10) ?
O2 Zn1 C1 2_765 2_765 28.83(11) ?
N1 Zn1 C1 1_565 2_765 99.45(9) ?
O1 Zn1 C1 2_765 2_765 27.97(10) ?
O14 Zn2 O12 . . 173.84(8) y
O14 Zn2 O10 . . 93.57(8) y
O12 Zn2 O10 . . 90.42(8) y
O14 Zn2 O5 . 2_666 92.74(9) y
O12 Zn2 O5 . 2_666 82.40(8) y
O10 Zn2 O5 . 2_666 92.22(8) y
O14 Zn2 O15 . . 94.18(9) y
O12 Zn2 O15 . . 90.32(9) y
O10 Zn2 O15 . . 92.70(9) y
O5 Zn2 O15 2_666 . 171.24(10) y
O14 Zn2 O13 . . 90.83(9) y
O12 Zn2 O13 . . 84.85(8) y
O10 Zn2 O13 . . 173.72(8) y
O5 Zn2 O13 2_666 . 83.08(8) y
O15 Zn2 O13 . . 91.44(9) y
O6 Zn3 O8 . . 121.43(9) y
O6 Zn3 O9 . 2_666 113.23(9) y
O8 Zn3 O9 . 2_666 119.52(8) y
O6 Zn3 N2 . 2_656 97.68(9) y
O8 Zn3 N2 . 2_656 99.62(10) y
O9 Zn3 N2 2_666 2_656 96.77(8) y
C1 O1 Zn1 . 2_765 82.5(2) ?
C1 O2 Zn1 . 2_765 99.8(2) ?
C2 O4 Zn1 . . 104.30(15) ?
C3 O5 Zn2 . 2_666 149.38(18) ?
C3 O6 Zn3 . . 135.29(17) ?
C10 O8 Zn3 . . 121.02(17) ?
C11 O9 Zn3 . 2_666 106.62(16) ?
C11 O10 Zn2 . . 124.64(16) ?
C12 O11 Zn1 . 2_666 109.97(16) ?
C12 O12 Zn2 . . 145.03(18) ?
Zn2 O13 H13A . . 125.2 ?
Zn2 O13 H13B . . 112.2 ?
H13A O13 H13B . . 97.3 ?
Zn2 O14 H14A . . 120.1 ?
Zn2 O14 H14B . . 120.0 ?
H14A O14 H14B . . 103.4 ?
Zn2 O15 H15A . . 128.7 ?
Zn2 O15 H15B . . 135.4 ?
H15A O15 H15B . . 95.8 ?
H16A O16 H16B . . 114.8 ?
H17A O17 H17B . . 104.5 ?
C8 N1 Zn1 . 1_545 115.05(16) ?
C8 N1 H1A . . 109.9 ?
Zn1 N1 H1A 1_545 . 112.4 ?
C8 N1 H1B . . 109.3 ?
Zn1 N1 H1B 1_545 . 103.0 ?
H1A N1 H1B . . 106.7 ?
C17 N2 Zn3 . 2_656 111.86(17) ?
C17 N2 H2A . . 110.9 ?
Zn3 N2 H2A 2_656 . 102.9 ?
C17 N2 H2B . . 110.1 ?
Zn3 N2 H2B 2_656 . 106.4 ?
H2A N2 H2B . . 114.4 ?
O1 C1 O2 . . 120.6(3) ?
O1 C1 C6 . . 121.3(3) ?
O2 C1 C6 . . 117.9(3) ?
O1 C1 Zn1 . 2_765 69.56(19) ?
O2 C1 Zn1 . 2_765 51.39(15) ?
C6 C1 Zn1 . 2_765 165.5(2) ?
O3 C2 O4 . . 122.4(2) ?
O3 C2 C5 . . 119.3(2) ?
O4 C2 C5 . . 118.3(2) ?
O5 C3 O6 . . 127.7(2) ?
O5 C3 C4 . . 117.5(2) ?
O6 C3 C4 . . 114.8(2) ?
C9 C4 C5 . . 120.4(2) ?
C9 C4 C3 . . 118.1(2) ?
C5 C4 C3 . . 121.4(2) ?
C4 C5 C6 . . 119.3(2) ?
C4 C5 C2 . . 119.6(2) ?
C6 C5 C2 . . 121.0(2) ?
C7 C6 C5 . . 119.7(2) ?
C7 C6 C1 . . 118.1(2) ?
C5 C6 C1 . . 122.0(2) ?
C8 C7 C6 . . 120.4(2) ?
C8 C7 H7A . . 119.8 ?
C6 C7 H7A . . 119.8 ?
C9 C8 C7 . . 119.9(2) ?
C9 C8 N1 . . 119.5(2) ?
C7 C8 N1 . . 120.5(2) ?
C8 C9 C4 . . 120.2(2) ?
C8 C9 H9A . . 119.9 ?
C4 C9 H9A . . 119.9 ?
O7 C10 O8 . . 124.7(2) ?
O7 C10 C15 . . 119.7(2) ?
O8 C10 C15 . . 115.6(2) ?
O10 C11 O9 . . 121.3(2) ?
O10 C11 C14 . . 121.8(2) ?
O9 C11 C14 . . 116.9(2) ?
O12 C12 O11 . . 121.2(2) ?
O12 C12 C13 . . 120.6(2) ?
O11 C12 C13 . . 118.0(2) ?
C18 C13 C14 . . 120.3(2) ?
C18 C13 C12 . . 116.2(2) ?
C14 C13 C12 . . 123.3(2) ?
C15 C14 C13 . . 118.7(2) ?
C15 C14 C11 . . 121.1(2) ?
C13 C14 C11 . . 120.1(2) ?
C16 C15 C14 . . 119.9(2) ?
C16 C15 C10 . . 117.4(2) ?
C14 C15 C10 . . 122.6(2) ?
C17 C16 C15 . . 120.7(2) ?
C17 C16 H16C . . 119.7 ?
C15 C16 H16C . . 119.7 ?
C16 C17 C18 . . 119.7(2) ?
C16 C17 N2 . . 120.5(2) ?
C18 C17 N2 . . 119.6(2) ?
C17 C18 C13 . . 120.5(2) ?
C17 C18 H18A . . 119.7 ?
C13 C18 H18A . . 119.7 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 O4 . 2.0235(18) y
Zn1 O11 2_666 2.0350(19) y
Zn1 O2 2_765 2.046(2) y
Zn1 N1 1_565 2.074(2) y
Zn1 O1 2_765 2.439(3) y
Zn1 C1 2_765 2.580(3) ?
Zn2 O14 . 2.039(2) y
Zn2 O12 . 2.0458(19) y
Zn2 O10 . 2.0630(19) y
Zn2 O5 2_666 2.0936(19) y
Zn2 O15 . 2.097(2) y
Zn2 O13 . 2.141(2) y
Zn3 O6 . 1.9248(19) y
Zn3 O8 . 1.940(2) y
Zn3 O9 2_666 1.9926(18) y
Zn3 N2 2_656 2.107(2) y
O1 C1 . 1.221(4) ?
O2 C1 . 1.263(4) ?
O3 C2 . 1.238(3) ?
O4 C2 . 1.275(3) ?
O5 C3 . 1.232(3) ?
O6 C3 . 1.259(3) ?
O7 C10 . 1.232(3) ?
O8 C10 . 1.277(3) ?
O9 C11 . 1.261(3) ?
O10 C11 . 1.253(3) ?
O11 C12 . 1.267(3) ?
O12 C12 . 1.240(3) ?
O13 H13A . 0.8499 ?
O13 H13B . 0.8501 ?
O14 H14A . 0.8501 ?
O14 H14B . 0.8499 ?
O15 H15A . 0.8499 ?
O15 H15B . 0.8500 ?
O16 H16A . 0.8500 ?
O16 H16B . 0.8501 ?
O17 H17A . 0.8501 ?
O17 H17B . 0.8501 ?
N1 C8 . 1.434(3) ?
N1 H1A . 0.9000 ?
N1 H1B . 0.9000 ?
N2 C17 . 1.430(3) ?
N2 H2A . 0.9000 ?
N2 H2B . 0.9001 ?
C1 C6 . 1.499(4) ?
C2 C5 . 1.509(3) ?
C3 C4 . 1.506(3) ?
C4 C9 . 1.388(3) ?
C4 C5 . 1.396(3) ?
C5 C6 . 1.399(3) ?
C6 C7 . 1.395(3) ?
C7 C8 . 1.389(3) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.382(3) ?
C9 H9A . 0.9300 ?
C10 C15 . 1.515(3) ?
C11 C14 . 1.506(3) ?
C12 C13 . 1.500(3) ?
C13 C18 . 1.387(3) ?
C13 C14 . 1.410(3) ?
C14 C15 . 1.399(3) ?
C15 C16 . 1.398(3) ?
C16 C17 . 1.382(4) ?
C16 H16C . 0.9300 ?
C17 C18 . 1.383(4) ?
C18 H18A . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O13 H13A O2 2_766 0.85 2.58 3.358(4) 153.5 yes
O13 H13B O3 2_666 0.85 2.17 2.964(3) 155.6 yes
O14 H14A O4 2_766 0.85 1.90 2.709(3) 157.2 yes
O14 H14B O16 . 0.85 1.82 2.661(3) 170.3 yes
O15 H15A O7 2_656 0.85 2.04 2.840(3) 155.8 yes
O15 H15B O11 1_655 0.85 1.92 2.762(3) 168.4 yes
O16 H16A O7 2_666 0.85 2.06 2.885(3) 163.9 yes
O16 H16B O1 1_566 0.85 2.04 2.878(4) 170.8 yes
O17 H17A O10 2_656 0.85 2.05 2.774(4) 142.6 yes
O17 H17B O14 2_656 0.85 1.92 2.717(4) 154.5 yes
N1 H1A O3 2_655 0.90 2.16 2.969(3) 149.6 yes
N1 H1B O13 2_656 0.90 2.41 3.141(3) 138.6 yes
N2 H2A O17 2_546 0.90 2.00 2.736(5) 138.0 yes
N2 H2B O17 . 0.90 2.14 2.919(5) 144.5 yes
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_site_symmetry_1
_geom_torsion
Zn1 O1 C1 O2 2_765 6.2(3)
Zn1 O1 C1 C6 2_765 -169.4(3)
Zn1 O2 C1 O1 2_765 -7.5(4)
Zn1 O2 C1 C6 2_765 168.3(2)
Zn1 O4 C2 O3 . -2.8(3)
Zn1 O4 C2 C5 . 178.49(17)
Zn2 O5 C3 O6 2_666 3.0(6)
Zn2 O5 C3 C4 2_666 -178.3(3)
Zn3 O6 C3 O5 . -9.9(5)
Zn3 O6 C3 C4 . 171.37(19)
O5 C3 C4 C9 . -135.2(3)
O6 C3 C4 C9 . 43.7(3)
O5 C3 C4 C5 . 43.2(4)
O6 C3 C4 C5 . -137.9(3)
C9 C4 C5 C6 . 0.0(4)
C3 C4 C5 C6 . -178.5(2)
C9 C4 C5 C2 . 176.8(2)
C3 C4 C5 C2 . -1.6(4)
O3 C2 C5 C4 . -100.9(3)
O4 C2 C5 C4 . 77.9(3)
O3 C2 C5 C6 . 76.0(3)
O4 C2 C5 C6 . -105.3(3)
C4 C5 C6 C7 . 2.8(4)
C2 C5 C6 C7 . -174.0(2)
C4 C5 C6 C1 . -172.7(2)
C2 C5 C6 C1 . 10.5(4)
O1 C1 C6 C7 . 27.3(4)
O2 C1 C6 C7 . -148.4(3)
Zn1 C1 C6 C7 2_765 -109.1(8)
O1 C1 C6 C5 . -157.2(3)
O2 C1 C6 C5 . 27.1(4)
Zn1 C1 C6 C5 2_765 66.5(8)
C5 C6 C7 C8 . -2.5(4)
C1 C6 C7 C8 . 173.1(3)
C6 C7 C8 C9 . -0.5(4)
C6 C7 C8 N1 . -177.2(2)
Zn1 N1 C8 C9 1_545 -93.3(3)
Zn1 N1 C8 C7 1_545 83.5(3)
C7 C8 C9 C4 . 3.3(4)
N1 C8 C9 C4 . -180.0(2)
C5 C4 C9 C8 . -3.0(4)
C3 C4 C9 C8 . 175.4(2)
Zn3 O8 C10 O7 . -23.9(4)
Zn3 O8 C10 C15 . 154.11(18)
Zn2 O10 C11 O9 . 114.2(2)
Zn2 O10 C11 C14 . -62.8(3)
Zn3 O9 C11 O10 2_666 2.0(3)
Zn3 O9 C11 C14 2_666 179.13(17)
Zn2 O12 C12 O11 . -172.8(2)
Zn2 O12 C12 C13 . 12.5(5)
Zn1 O11 C12 O12 2_666 -4.6(3)
Zn1 O11 C12 C13 2_666 170.36(16)
O12 C12 C13 C18 . 132.6(3)
O11 C12 C13 C18 . -42.3(3)
O12 C12 C13 C14 . -42.0(4)
O11 C12 C13 C14 . 143.0(2)
C18 C13 C14 C15 . 1.2(4)
C12 C13 C14 C15 . 175.7(2)
C18 C13 C14 C11 . 177.0(2)
C12 C13 C14 C11 . -8.6(4)
O10 C11 C14 C15 . -99.9(3)
O9 C11 C14 C15 . 83.0(3)
O10 C11 C14 C13 . 84.4(3)
O9 C11 C14 C13 . -92.7(3)
C13 C14 C15 C16 . -2.3(4)
C11 C14 C15 C16 . -178.0(2)
C13 C14 C15 C10 . -179.5(2)
C11 C14 C15 C10 . 4.8(4)
O7 C10 C15 C16 . 8.6(4)
O8 C10 C15 C16 . -169.5(2)
O7 C10 C15 C14 . -174.1(3)
O8 C10 C15 C14 . 7.7(4)
C14 C15 C16 C17 . 0.7(4)
C10 C15 C16 C17 . 178.0(2)
C15 C16 C17 C18 . 2.1(4)
C15 C16 C17 N2 . -172.6(2)
Zn3 N2 C17 C16 2_656 94.7(3)
Zn3 N2 C17 C18 2_656 -80.0(3)
C16 C17 C18 C13 . -3.1(4)
N2 C17 C18 C13 . 171.6(2)
C14 C13 C18 C17 . 1.5(4)
C12 C13 C18 C17 . -173.3(2)

_cod_database_fobs_code 2021708
