#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:25:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180434 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/03/7210378.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_7210378
loop_
_publ_author_name
'Du, Peng'
'Yang, Yan'
'Yang, Jin'
'Liu, Ying-Ying'
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of MOFs based on a tricarboxylic acid and various N-donor
 ligands: syntheses, structures, and properties
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6986
_journal_paper_doi               10.1039/c3ce40828k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C52 H40 N4 O16 Zn3'
_chemical_formula_sum            'C52 H40 N4 O16 Zn3'
_chemical_formula_weight         1173.12
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 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
_cell_angle_beta                 97.577(19)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.842(2)
_cell_length_b                   12.262(3)
_cell_length_c                   20.186(4)
_cell_measurement_reflns_used    1666
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2257
_cell_measurement_theta_min      2.9464
_cell_volume                     2414.8(9)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_av_sigmaI/netI    0.0868
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11452
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    1.557
_exptl_absorpt_correction_T_max  0.7159
_exptl_absorpt_correction_T_min  0.6523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.962
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.140
_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     345
_refine_ls_number_reflns         4218
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0941P)²+3.7099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1620
_refine_ls_wR_factor_ref         0.1854
_reflns_number_gt                3062
_reflns_number_total             4218
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce40828k.txt
_cod_data_source_block           Compound-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        2414.8(10)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7210378
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
Zn1 Zn -0.2500 0.82246(8) -0.2500 0.0158(3) Uani 1 2 d S
Zn2 Zn 0.02808(6) 0.61484(5) -0.17735(3) 0.0172(2) Uani 1 1 d D
C1 C -0.3266(8) 0.6494(8) -0.0670(4) 0.050(2) Uani 1 1 d .
C2 C -0.2549(9) 0.5739(8) -0.0241(4) 0.055(2) Uani 1 1 d .
H2 H -0.1782 0.5392 -0.0366 0.066 Uiso 1 1 calc R
C3 C -0.2974(8) 0.5508(8) 0.0364(4) 0.051(2) Uani 1 1 d .
C4 C -0.4146(9) 0.5988(8) 0.0535(4) 0.056(2) Uani 1 1 d .
H4 H -0.4446 0.5814 0.0940 0.068 Uiso 1 1 calc R
C5 C -0.4872(8) 0.6716(7) 0.0115(4) 0.049(2) Uani 1 1 d .
C6 C -0.4454(9) 0.6978(8) -0.0477(4) 0.055(2) Uani 1 1 d .
H6 H -0.4952 0.7479 -0.0757 0.067 Uiso 1 1 calc R
C7 C -0.2829(8) 0.6758(8) -0.1330(4) 0.052(2) Uani 1 1 d .
C8 C -0.2147(9) 0.4761(8) 0.0858(4) 0.050(2) Uani 1 1 d .
C9 C -0.6833(10) 0.7890(9) -0.0086(4) 0.066(3) Uani 1 1 d .
H9A H -0.7209 0.7524 -0.0496 0.079 Uiso 1 1 calc R
H9B H -0.6270 0.8493 -0.0201 0.079 Uiso 1 1 calc R
C10 C -0.7963(9) 0.8303(9) 0.0270(4) 0.057(2) Uani 1 1 d .
C11 C -0.9010(10) 0.7609(9) 0.0416(5) 0.065(3) Uani 1 1 d .
H11 H -0.8974 0.6874 0.0306 0.078 Uiso 1 1 calc R
C12 C -1.0080(10) 0.7981(9) 0.0716(4) 0.062(2) Uani 1 1 d .
H12 H -1.0757 0.7498 0.0811 0.075 Uiso 1 1 calc R
C13 C -1.0172(9) 0.9107(8) 0.0886(4) 0.050(2) Uani 1 1 d .
C14 C -0.9147(9) 0.9801(8) 0.0726(4) 0.055(2) Uani 1 1 d .
H14 H -0.9202 1.0544 0.0809 0.066 Uiso 1 1 calc R
C15 C -0.8052(9) 0.9396(9) 0.0445(4) 0.058(2) Uani 1 1 d .
H15 H -0.7348 0.9868 0.0369 0.070 Uiso 1 1 calc R
C16 C -1.1405(8) 0.9543(8) 0.1149(4) 0.051(2) Uani 1 1 d .
C17 C -1.2656(10) 0.9043(9) 0.0972(5) 0.066(3) Uani 1 1 d .
H17 H -1.2679 0.8403 0.0723 0.079 Uiso 1 1 calc R
C18 C -1.3867(10) 0.9437(11) 0.1141(5) 0.075(3) Uani 1 1 d .
H18 H -1.4690 0.9075 0.1013 0.090 Uiso 1 1 calc R
C19 C -1.3822(11) 1.0422(11) 0.1519(5) 0.075(3) Uani 1 1 d U
H19 H -1.4623 1.0706 0.1648 0.090 Uiso 1 1 calc R
C20 C -1.2629(11) 1.0938(9) 0.1690(5) 0.068(3) Uani 1 1 d .
H20 H -1.2622 1.1599 0.1916 0.082 Uiso 1 1 calc R
C21 C -1.1379(9) 1.0502(8) 0.1534(4) 0.056(2) Uani 1 1 d .
C22 C -1.0117(10) 1.1066(9) 0.1824(4) 0.056(2) Uani 1 1 d U
C23 C 0.0529(14) 0.3906(12) -0.2589(6) 0.092(4) Uani 1 1 d .
H23 H 0.1246 0.4178 -0.2797 0.111 Uiso 1 1 calc R
C24 C 0.0030(14) 0.2866(14) -0.2640(7) 0.105(4) Uani 1 1 d .
H24 H 0.0333 0.2303 -0.2893 0.126 Uiso 1 1 calc R
C25 C -0.1106(11) 0.3813(8) -0.2001(5) 0.062(3) Uani 1 1 d .
H25 H -0.1755 0.4015 -0.1728 0.075 Uiso 1 1 calc R
C26 C -0.1906(12) 0.1908(11) -0.2214(6) 0.085(3) Uani 1 1 d U
H26A H -0.2272 0.1930 -0.1791 0.102 Uiso 1 1 calc R
H26B H -0.1390 0.1236 -0.2228 0.102 Uiso 1 1 calc R
N1 N -0.0195(9) 0.4467(7) -0.2185(4) 0.066(2) Uani 1 1 d .
N2 N -0.1004(10) 0.2813(7) -0.2249(4) 0.073(2) Uani 1 1 d .
O1 O -0.3405(6) 0.7572(6) -0.1637(3) 0.0645(17) Uani 1 1 d U
O2 O -0.1934(7) 0.6189(6) -0.1549(3) 0.0655(17) Uani 1 1 d U
O3 O -0.0981(7) 0.4457(6) 0.0720(3) 0.0699(18) Uani 1 1 d U
O4 O -0.2572(6) 0.4486(6) 0.1383(3) 0.0695(19) Uani 1 1 d .
O5 O -0.6020(7) 0.7142(6) 0.0347(3) 0.0689(18) Uani 1 1 d U
O6 O -0.9988(9) 1.2058(7) 0.1736(4) 0.097(2) Uani 1 1 d U
O7 O -0.9188(7) 1.0558(6) 0.2181(3) 0.0700(19) Uani 1 1 d .
O1W O 0.0922(7) 0.6702(7) -0.2800(3) 0.0700(19) Uani 1 1 d D
H1C H 0.033(9) 0.699(7) -0.312(4) 0.105 Uiso 1 1 d D
H1D H 0.084(10) 0.5996(18) -0.279(2) 0.105 Uiso 1 1 d D
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
O1 Zn1 O1 137.5(4) 2_454 .
O1 Zn1 O7 96.1(2) 2_454 3_475
O1 Zn1 O7 111.8(2) . 3_475
O1 Zn1 O7 111.8(2) 2_454 4_675
O1 Zn1 O7 96.1(2) . 4_675
O7 Zn1 O7 97.4(4) 3_475 4_675
O6 Zn2 N1 154.0(3) 3_475 .
O6 Zn2 O3 108.5(3) 3_475 3_565
N1 Zn2 O3 93.9(3) . 3_565
O6 Zn2 O2 80.8(3) 3_475 .
N1 Zn2 O2 86.3(3) . .
O3 Zn2 O2 90.1(2) 3_565 .
O6 Zn2 O1W 78.1(3) 3_475 .
N1 Zn2 O1W 90.4(3) . .
O3 Zn2 O1W 146.9(2) 3_565 .
O2 Zn2 O1W 123.0(2) . .
O6 Zn2 O4 115.3(3) 3_475 3_565
N1 Zn2 O4 88.0(3) . 3_565
O3 Zn2 O4 55.6(2) 3_565 3_565
O2 Zn2 O4 144.6(2) . 3_565
O1W Zn2 O4 91.9(2) . 3_565
C2 C1 C6 118.5(8) . .
C2 C1 C7 121.2(7) . .
C6 C1 C7 120.3(7) . .
C3 C2 C1 120.1(8) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C2 C3 C4 119.9(8) . .
C2 C3 C8 120.8(8) . .
C4 C3 C8 119.3(7) . .
C5 C4 C3 120.7(8) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C6 C5 C4 120.6(8) . .
C6 C5 O5 124.6(7) . .
C4 C5 O5 114.8(7) . .
C5 C6 C1 120.2(8) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
O2 C7 O1 123.9(8) . .
O2 C7 C1 119.7(8) . .
O1 C7 C1 116.4(7) . .
O4 C8 O3 121.7(8) . .
O4 C8 C3 121.2(8) . .
O3 C8 C3 117.1(7) . .
O5 C9 C10 108.3(7) . .
O5 C9 H9A 110.0 . .
C10 C9 H9A 110.0 . .
O5 C9 H9B 110.0 . .
C10 C9 H9B 110.0 . .
H9A C9 H9B 108.4 . .
C15 C10 C11 117.4(8) . .
C15 C10 C9 121.6(9) . .
C11 C10 C9 120.9(9) . .
C12 C11 C10 121.7(10) . .
C12 C11 H11 119.2 . .
C10 C11 H11 119.2 . .
C11 C12 C13 120.5(9) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C14 C13 C12 117.7(8) . .
C14 C13 C16 121.0(8) . .
C12 C13 C16 120.9(8) . .
C15 C14 C13 120.5(9) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C10 122.0(9) . .
C14 C15 H15 119.0 . .
C10 C15 H15 119.0 . .
C17 C16 C21 117.7(8) . .
C17 C16 C13 119.4(8) . .
C21 C16 C13 122.8(8) . .
C18 C17 C16 123.7(11) . .
C18 C17 H17 118.2 . .
C16 C17 H17 118.2 . .
C17 C18 C19 117.7(10) . .
C17 C18 H18 121.1 . .
C19 C18 H18 121.1 . .
C20 C19 C18 120.2(10) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 121.6(11) . .
C19 C20 H20 119.2 . .
C21 C20 H20 119.2 . .
C16 C21 C20 119.1(9) . .
C16 C21 C22 124.4(8) . .
C20 C21 C22 116.5(9) . .
O6 C22 O7 119.4(9) . .
O6 C22 C21 120.1(10) . .
O7 C22 C21 120.5(9) . .
N1 C23 C24 108.1(11) . .
N1 C23 H23 126.0 . .
C24 C23 H23 126.0 . .
C23 C24 N2 106.7(11) . .
C23 C24 H24 126.6 . .
N2 C24 H24 126.6 . .
N1 C25 N2 111.9(10) . .
N1 C25 H25 124.0 . .
N2 C25 H25 124.0 . .
N2 C26 C26 112.3(8) . 2_454
N2 C26 H26A 109.1 . .
C26 C26 H26A 109.1 2_454 .
N2 C26 H26B 109.1 . .
C26 C26 H26B 109.1 2_454 .
H26A C26 H26B 107.9 . .
C25 N1 C23 107.5(10) . .
C25 N1 Zn2 125.5(7) . .
C23 N1 Zn2 126.4(8) . .
C25 N2 C24 105.7(10) . .
C25 N2 C26 128.1(11) . .
C24 N2 C26 125.4(11) . .
C7 O1 Zn1 118.0(5) . .
C7 O2 Zn2 144.9(6) . .
C8 O3 Zn2 93.5(5) . 3_565
C8 O4 Zn2 87.8(5) . 3_565
C5 O5 C9 116.7(6) . .
C22 O6 Zn2 162.1(8) . 3_475
C22 O7 Zn1 106.7(7) . 3_475
Zn2 O1W H1C 122(8) . .
Zn2 O1W H1D 70.1(15) . .
H1C O1W H1D 111(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.208(6) 2_454
Zn1 O1 2.208(6) .
Zn1 O7 2.264(7) 3_475
Zn1 O7 2.264(7) 4_675
Zn2 O6 2.221(9) 3_475
Zn2 N1 2.249(9) .
Zn2 O3 2.273(6) 3_565
Zn2 O2 2.285(7) .
Zn2 O1W 2.344(7) .
Zn2 O4 2.417(6) 3_565
C1 C2 1.394(12) .
C1 C6 1.411(12) .
C1 C7 1.489(12) .
C2 C3 1.373(11) .
C2 H2 0.9300 .
C3 C4 1.378(12) .
C3 C8 1.510(12) .
C4 C5 1.366(12) .
C4 H4 0.9300 .
C5 C6 1.352(11) .
C5 O5 1.382(10) .
C6 H6 0.9300 .
C7 O2 1.249(10) .
C7 O1 1.268(10) .
C8 O4 1.236(10) .
C8 O3 1.272(10) .
C9 O5 1.437(11) .
C9 C10 1.491(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.392(14) .
C10 C11 1.397(14) .
C11 C12 1.361(13) .
C11 H11 0.9300 .
C12 C13 1.429(13) .
C12 H12 0.9300 .
C13 C14 1.389(12) .
C13 C16 1.487(12) .
C14 C15 1.375(12) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.380(13) .
C16 C21 1.407(13) .
C17 C18 1.370(14) .
C17 H17 0.9300 .
C18 C19 1.427(17) .
C18 H18 0.9300 .
C19 C20 1.337(15) .
C19 H19 0.9300 .
C20 C21 1.414(13) .
C20 H20 0.9300 .
C21 C22 1.475(13) .
C22 O6 1.238(12) .
C22 O7 1.253(11) .
C23 N1 1.341(14) .
C23 C24 1.365(19) .
C23 H23 0.9300 .
C24 N2 1.370(15) .
C24 H24 0.9300 .
C25 N1 1.293(12) .
C25 N2 1.333(12) .
C25 H25 0.9300 .
C26 N2 1.428(15) .
C26 C26 1.53(2) 2_454
C26 H26A 0.9700 .
C26 H26B 0.9700 .
O3 Zn2 2.273(6) 3_565
O4 Zn2 2.417(6) 3_565
O6 Zn2 2.221(9) 3_475
O7 Zn1 2.264(7) 3_475
O1W H1C 0.88(2) .
O1W H1D 0.87(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1C O1 0.88(2) 2.02(7) 2.798(9) 146(11) 2_454
O1W H1D N1 0.87(2) 2.53(3) 3.259(12) 142(3) .
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
C6 C1 C2 C3 -2.2(14) . .
C7 C1 C2 C3 -179.9(9) . .
C1 C2 C3 C4 2.9(14) . .
C1 C2 C3 C8 -175.1(8) . .
C2 C3 C4 C5 -1.8(14) . .
C8 C3 C4 C5 176.2(9) . .
C3 C4 C5 C6 0.1(15) . .
C3 C4 C5 O5 -179.6(8) . .
C4 C5 C6 C1 0.5(14) . .
O5 C5 C6 C1 -179.8(9) . .
C2 C1 C6 C5 0.5(14) . .
C7 C1 C6 C5 178.2(9) . .
C2 C1 C7 O2 10.5(14) . .
C6 C1 C7 O2 -167.1(9) . .
C2 C1 C7 O1 -169.2(9) . .
C6 C1 C7 O1 13.2(13) . .
C2 C3 C8 O4 -174.7(9) . .
C4 C3 C8 O4 7.2(13) . .
C2 C3 C8 O3 7.5(13) . .
C4 C3 C8 O3 -170.5(8) . .
O5 C9 C10 C15 115.2(10) . .
O5 C9 C10 C11 -67.5(11) . .
C15 C10 C11 C12 0.2(14) . .
C9 C10 C11 C12 -177.2(9) . .
C10 C11 C12 C13 0.6(14) . .
C11 C12 C13 C14 0.9(13) . .
C11 C12 C13 C16 173.7(8) . .
C12 C13 C14 C15 -3.2(12) . .
C16 C13 C14 C15 -176.0(8) . .
C13 C14 C15 C10 4.2(13) . .
C11 C10 C15 C14 -2.6(13) . .
C9 C10 C15 C14 174.7(8) . .
C14 C13 C16 C17 144.7(9) . .
C12 C13 C16 C17 -27.9(12) . .
C14 C13 C16 C21 -30.3(12) . .
C12 C13 C16 C21 157.1(9) . .
C21 C16 C17 C18 1.0(15) . .
C13 C16 C17 C18 -174.2(9) . .
C16 C17 C18 C19 0.3(15) . .
C17 C18 C19 C20 0.9(15) . .
C18 C19 C20 C21 -3.4(15) . .
C17 C16 C21 C20 -3.3(13) . .
C13 C16 C21 C20 171.7(8) . .
C17 C16 C21 C22 173.2(9) . .
C13 C16 C21 C22 -11.8(14) . .
C19 C20 C21 C16 4.6(14) . .
C19 C20 C21 C22 -172.2(9) . .
C16 C21 C22 O6 129.3(10) . .
C20 C21 C22 O6 -54.1(12) . .
C16 C21 C22 O7 -53.2(12) . .
C20 C21 C22 O7 123.4(10) . .
N1 C23 C24 N2 -0.8(15) . .
N2 C25 N1 C23 1.9(12) . .
N2 C25 N1 Zn2 -169.7(6) . .
C24 C23 N1 C25 -0.7(14) . .
C24 C23 N1 Zn2 170.8(9) . .
O6 Zn2 N1 C25 -87.5(11) 3_475 .
O3 Zn2 N1 C25 62.5(9) 3_565 .
O2 Zn2 N1 C25 -27.3(8) . .
O1W Zn2 N1 C25 -150.3(9) . .
O4 Zn2 N1 C25 117.8(9) 3_565 .
O6 Zn2 N1 C23 102.6(11) 3_475 .
O3 Zn2 N1 C23 -107.5(10) 3_565 .
O2 Zn2 N1 C23 162.7(10) . .
O1W Zn2 N1 C23 39.7(10) . .
O4 Zn2 N1 C23 -52.2(10) 3_565 .
N1 C25 N2 C24 -2.3(12) . .
N1 C25 N2 C26 -173.1(9) . .
C23 C24 N2 C25 1.8(14) . .
C23 C24 N2 C26 172.9(11) . .
C26 C26 N2 C25 86.9(15) 2_454 .
C26 C26 N2 C24 -82.1(15) 2_454 .
O2 C7 O1 Zn1 -12.8(12) . .
C1 C7 O1 Zn1 166.9(6) . .
O1 Zn1 O1 C7 41.4(6) 2_454 .
O7 Zn1 O1 C7 -85.9(7) 3_475 .
O7 Zn1 O1 C7 173.5(7) 4_675 .
O1 C7 O2 Zn2 70.5(14) . .
C1 C7 O2 Zn2 -109.2(11) . .
O6 Zn2 O2 C7 -19.5(10) 3_475 .
N1 Zn2 O2 C7 -176.8(10) . .
O3 Zn2 O2 C7 89.2(10) 3_565 .
O1W Zn2 O2 C7 -88.8(10) . .
O4 Zn2 O2 C7 101.9(10) 3_565 .
O4 C8 O3 Zn2 -12.7(9) . 3_565
C3 C8 O3 Zn2 165.1(7) . 3_565
O3 C8 O4 Zn2 11.9(9) . 3_565
C3 C8 O4 Zn2 -165.8(8) . 3_565
C6 C5 O5 C9 1.8(14) . .
C4 C5 O5 C9 -178.5(9) . .
C10 C9 O5 C5 -176.6(8) . .
O7 C22 O6 Zn2 -111(2) . 3_475
C21 C22 O6 Zn2 67(3) . 3_475
O6 C22 O7 Zn1 -2.4(10) . 3_475
C21 C22 O7 Zn1 -179.9(6) . 3_475
