#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:20:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179719 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002147.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_7002147
loop_
_publ_author_name
'Anselmo, Daniele'
'Escudero-Adán, Eduardo C.'
'Benet-Buchholz, Jordi'
'Kleij, Arjan W.'
_publ_section_title
;
 Assembly of unusual Zn-cluster compounds based on pyridinealcohol
 platforms
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7368
_journal_page_last               7373
_journal_paper_doi               10.1039/b901394f
_journal_year                    2009
_chemical_formula_sum            'C18 H22 N2 O8 Zn2'
_chemical_formula_weight         525.12
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                97.906(3)
_cell_angle_beta                 91.158(3)
_cell_angle_gamma                111.763(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5747(5)
_cell_length_b                   9.3319(6)
_cell_length_c                   13.8853(7)
_cell_measurement_reflns_used    5275
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      38.17
_cell_measurement_theta_min      3.51
_cell_volume                     1019.01(10)
_computing_cell_refinement       'Bruker-Nonius Apex v1.0-22 2002'
_computing_data_collection       'Bruker-Nonius Apex v1.0-22 2002'
_computing_data_reduction        'SAINT+ Version 7.06A Bruker-Nonius, 2004'
_computing_molecular_graphics    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_publication_material  'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_structure_refinement  'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_structure_solution    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.890
_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22089
_diffrn_reflns_theta_full        38.33
_diffrn_reflns_theta_max         38.33
_diffrn_reflns_theta_min         3.51
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    2.402
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6266
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2.1 2003 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.383
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         10084
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0457P)²+0.2221P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.0947
_reflns_number_gt                8704
_reflns_number_total             10084
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901394f.txt
_cod_data_source_block           awk390_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002147
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 0.131800(16) 0.739379(16) 0.269000(9) 0.01198(4) Uani 1 1 d . . .
O1 O 0.05403(11) 0.48657(11) 0.23157(6) 0.01515(14) Uani 1 1 d . . .
N1 N -0.03229(12) 0.65060(12) 0.37683(7) 0.01287(15) Uani 1 1 d . . .
C1 C -0.11242(13) 0.49634(14) 0.36937(8) 0.01254(16) Uani 1 1 d . . .
Zn2 Zn 0.363685(16) 1.071227(17) 0.253794(10) 0.01373(4) Uani 1 1 d . . .
O2 O 0.14334(10) 0.96981(11) 0.29973(6) 0.01440(14) Uani 1 1 d . . .
C2 C -0.21693(15) 0.42713(15) 0.43935(9) 0.01605(19) Uani 1 1 d . . .
H2 H -0.2733 0.3169 0.4321 0.019 Uiso 1 1 calc R . .
N2 N -0.04247(12) 0.74095(13) 0.15801(7) 0.01400(15) Uani 1 1 d . . .
C3 C -0.23662(16) 0.52316(17) 0.51992(9) 0.0180(2) Uani 1 1 d . . .
H3 H -0.3065 0.4794 0.5690 0.022 Uiso 1 1 calc R . .
O3 O 0.28829(12) 0.73600(12) 0.15233(7) 0.01757(16) Uani 1 1 d . . .
O4 O 0.35047(13) 0.97630(12) 0.11594(7) 0.01937(17) Uani 1 1 d . . .
C4 C -0.15299(16) 0.68405(17) 0.52803(8) 0.0174(2) Uani 1 1 d . . .
H4 H -0.1649 0.7518 0.5825 0.021 Uiso 1 1 calc R . .
C5 C -0.05206(15) 0.74342(15) 0.45518(8) 0.01509(18) Uani 1 1 d . . .
H5 H 0.0053 0.8533 0.4605 0.018 Uiso 1 1 calc R . .
O5 O 0.33790(11) 0.78773(12) 0.36513(7) 0.01730(15) Uani 1 1 d . . .
C6 C -0.08671(14) 0.39871(15) 0.27957(9) 0.01514(18) Uani 1 1 d . . .
H6A H -0.0688 0.3072 0.2985 0.018 Uiso 1 1 calc R . .
H6B H -0.1892 0.3598 0.2341 0.018 Uiso 1 1 calc R . .
O6 O 0.51970(12) 1.01928(12) 0.33529(7) 0.01922(17) Uani 1 1 d . . .
C7 C -0.07254(14) 0.87216(15) 0.16485(9) 0.01539(18) Uani 1 1 d . . .
O7 O 0.49407(11) 1.29029(12) 0.25002(8) 0.02018(17) Uani 1 1 d . . .
O8 O 0.26188(11) 1.34158(12) 0.24228(7) 0.01874(16) Uani 1 1 d . . .
C8 C -0.16458(18) 0.90047(19) 0.09058(11) 0.0237(2) Uani 1 1 d . . .
H8 H -0.1865 0.9938 0.0972 0.028 Uiso 1 1 calc R . .
C9 C -0.2233(2) 0.7901(2) 0.00708(11) 0.0267(3) Uani 1 1 d . . .
H9 H -0.2856 0.8072 -0.0445 0.032 Uiso 1 1 calc R . .
C10 C -0.19037(18) 0.65429(19) -0.00037(10) 0.0222(2) Uani 1 1 d . . .
H10 H -0.2289 0.5772 -0.0570 0.027 Uiso 1 1 calc R . .
C11 C -0.09968(16) 0.63406(16) 0.07708(9) 0.01734(19) Uani 1 1 d . . .
H11 H -0.0772 0.5411 0.0727 0.021 Uiso 1 1 calc R . .
C12 C 0.00288(15) 0.98862(16) 0.25694(10) 0.0175(2) Uani 1 1 d . . .
H12A H 0.0377 1.0959 0.2412 0.021 Uiso 1 1 calc R . .
H12B H -0.0840 0.9756 0.3045 0.021 Uiso 1 1 calc R . .
C13 C 0.32545(14) 0.83225(15) 0.09368(9) 0.01579(18) Uani 1 1 d . . .
C14 C 0.3366(2) 0.77563(18) -0.01204(10) 0.0249(3) Uani 1 1 d . . .
H14A H 0.3720 0.6865 -0.0169 0.037 Uiso 1 1 calc R . .
H14B H 0.4191 0.8601 -0.0404 0.037 Uiso 1 1 calc R . .
H14C H 0.2261 0.7435 -0.0475 0.037 Uiso 1 1 calc R . .
C15 C 0.47928(14) 0.89736(15) 0.37499(9) 0.01558(18) Uani 1 1 d . . .
C16 C 0.61538(16) 0.88279(19) 0.43905(10) 0.0218(2) Uani 1 1 d . . .
H16A H 0.5636 0.8159 0.4875 0.033 Uiso 1 1 calc R . .
H16B H 0.6885 0.9865 0.4725 0.033 Uiso 1 1 calc R . .
H16C H 0.6824 0.8365 0.3988 0.033 Uiso 1 1 calc R . .
C17 C 0.41790(14) 1.38295(14) 0.24207(8) 0.01318(17) Uani 1 1 d . . .
C18 C 0.52681(17) 1.54651(17) 0.23018(12) 0.0238(3) Uani 1 1 d . . .
H18A H 0.5700 1.5463 0.1654 0.036 Uiso 1 1 calc R . .
H18B H 0.6214 1.5877 0.2802 0.036 Uiso 1 1 calc R . .
H18C H 0.4602 1.6125 0.2372 0.036 Uiso 1 1 calc R . .
H1O H 0.133(3) 0.448(4) 0.2378(18) 0.039(7) Uiso 1 1 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
_geom_angle_publ_flag
O5 Zn1 O2 91.99(4) . . ?
O5 Zn1 N1 90.52(4) . . ?
O2 Zn1 N1 96.67(4) . . ?
O5 Zn1 O3 88.45(4) . . ?
O2 Zn1 O3 105.88(4) . . ?
N1 Zn1 O3 157.45(4) . . ?
O5 Zn1 N2 165.92(4) . . ?
O2 Zn1 N2 78.54(4) . . ?
N1 Zn1 N2 100.82(4) . . ?
O3 Zn1 N2 84.23(4) . . ?
O5 Zn1 O1 99.94(4) . . ?
O2 Zn1 O1 165.99(3) . . ?
N1 Zn1 O1 76.06(4) . . ?
O3 Zn1 O1 81.93(4) . . ?
N2 Zn1 O1 90.94(4) . . ?
O5 Zn1 Zn2 74.58(3) . . ?
O2 Zn1 Zn2 39.30(2) . . ?
N1 Zn1 Zn2 130.64(3) . . ?
O3 Zn1 Zn2 70.52(3) . . ?
N2 Zn1 Zn2 91.62(3) . . ?
O1 Zn1 Zn2 151.92(2) . . ?
C6 O1 Zn1 114.53(7) . . ?
C1 N1 C5 118.95(10) . . ?
C1 N1 Zn1 118.49(7) . . ?
C5 N1 Zn1 122.47(8) . . ?
N1 C1 C2 122.43(11) . . ?
N1 C1 C6 116.49(9) . . ?
C2 C1 C6 121.07(11) . . ?
O2 Zn2 O7 130.77(4) . . ?
O2 Zn2 O6 105.21(4) . . ?
O7 Zn2 O6 100.76(4) . . ?
O2 Zn2 O4 106.22(4) . . ?
O7 Zn2 O4 102.17(4) . . ?
O6 Zn2 O4 111.14(4) . . ?
O2 Zn2 Zn1 43.26(3) . . ?
O7 Zn2 Zn1 174.03(3) . . ?
O6 Zn2 Zn1 82.36(3) . . ?
O4 Zn2 Zn1 81.23(3) . . ?
C12 O2 Zn2 119.10(8) . . ?
C12 O2 Zn1 112.55(8) . . ?
Zn2 O2 Zn1 97.44(4) . . ?
C3 C2 C1 118.39(12) . . ?
C7 N2 C11 119.31(10) . . ?
C7 N2 Zn1 114.79(8) . . ?
C11 N2 Zn1 125.01(8) . . ?
C2 C3 C4 119.33(11) . . ?
C13 O3 Zn1 124.33(8) . . ?
C13 O4 Zn2 120.57(8) . . ?
C5 C4 C3 118.67(11) . . ?
N1 C5 C4 122.23(12) . . ?
C15 O5 Zn1 130.52(8) . . ?
O1 C6 C1 111.33(10) . . ?
C15 O6 Zn2 124.70(8) . . ?
N2 C7 C8 121.69(12) . . ?
N2 C7 C12 115.55(10) . . ?
C8 C7 C12 122.75(12) . . ?
C17 O7 Zn2 119.47(8) . . ?
C9 C8 C7 118.89(13) . . ?
C8 C9 C10 119.34(12) . . ?
C9 C10 C11 118.28(14) . . ?
N2 C11 C10 122.48(12) . . ?
O2 C12 C7 112.19(10) . . ?
O3 C13 O4 124.70(11) . . ?
O3 C13 C14 118.97(12) . . ?
O4 C13 C14 116.30(11) . . ?
O5 C15 O6 126.05(11) . . ?
O5 C15 C16 117.31(11) . . ?
O6 C15 C16 116.64(11) . . ?
O8 C17 O7 122.95(11) . . ?
O8 C17 C18 120.96(11) . . ?
O7 C17 C18 116.08(10) . . ?
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 O5 2.0631(9) . ?
Zn1 O2 2.0985(9) . ?
Zn1 N1 2.1142(9) . ?
Zn1 O3 2.1286(9) . ?
Zn1 N2 2.1302(10) . ?
Zn1 O1 2.1823(10) . ?
Zn1 Zn2 3.0363(3) . ?
O1 C6 1.4220(14) . ?
N1 C1 1.3333(16) . ?
N1 C5 1.3490(15) . ?
C1 C2 1.3940(15) . ?
C1 C6 1.5102(16) . ?
Zn2 O2 1.9393(8) . ?
Zn2 O7 1.9414(10) . ?
Zn2 O6 1.9687(9) . ?
Zn2 O4 1.9778(10) . ?
O2 C12 1.4110(15) . ?
C2 C3 1.3883(18) . ?
N2 C7 1.3334(16) . ?
N2 C11 1.3434(17) . ?
C3 C4 1.390(2) . ?
O3 C13 1.2535(15) . ?
O4 C13 1.2719(16) . ?
C4 C5 1.3832(16) . ?
O5 C15 1.2530(16) . ?
O6 C15 1.2674(16) . ?
C7 C8 1.3974(18) . ?
C7 C12 1.5157(18) . ?
O7 C17 1.2761(14) . ?
O8 C17 1.2475(14) . ?
C8 C9 1.386(2) . ?
C9 C10 1.388(2) . ?
C10 C11 1.3885(18) . ?
C13 C14 1.5077(18) . ?
C15 C16 1.5102(17) . ?
C17 C18 1.4992(19) . ?
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
O5 Zn1 O1 C6 101.98(8) . . . . ?
O2 Zn1 O1 C6 -46.03(18) . . . . ?
N1 Zn1 O1 C6 13.93(8) . . . . ?
O3 Zn1 O1 C6 -171.03(8) . . . . ?
N2 Zn1 O1 C6 -86.99(8) . . . . ?
Zn2 Zn1 O1 C6 177.79(6) . . . . ?
O5 Zn1 N1 C1 -105.33(8) . . . . ?
O2 Zn1 N1 C1 162.61(8) . . . . ?
O3 Zn1 N1 C1 -18.12(15) . . . . ?
N2 Zn1 N1 C1 83.05(9) . . . . ?
O1 Zn1 N1 C1 -5.21(8) . . . . ?
Zn2 Zn1 N1 C1 -175.29(6) . . . . ?
O5 Zn1 N1 C5 71.19(9) . . . . ?
O2 Zn1 N1 C5 -20.87(9) . . . . ?
O3 Zn1 N1 C5 158.40(9) . . . . ?
N2 Zn1 N1 C5 -100.43(9) . . . . ?
O1 Zn1 N1 C5 171.31(9) . . . . ?
Zn2 Zn1 N1 C5 1.23(10) . . . . ?
C5 N1 C1 C2 0.37(16) . . . . ?
Zn1 N1 C1 C2 177.02(8) . . . . ?
C5 N1 C1 C6 179.41(10) . . . . ?
Zn1 N1 C1 C6 -3.95(13) . . . . ?
O5 Zn1 Zn2 O2 -113.20(5) . . . . ?
N1 Zn1 Zn2 O2 -36.16(5) . . . . ?
O3 Zn1 Zn2 O2 152.92(5) . . . . ?
N2 Zn1 Zn2 O2 69.61(5) . . . . ?
O1 Zn1 Zn2 O2 164.66(7) . . . . ?
O5 Zn1 Zn2 O7 -113.2(3) . . . . ?
O2 Zn1 Zn2 O7 0.0(3) . . . . ?
N1 Zn1 Zn2 O7 -36.2(3) . . . . ?
O3 Zn1 Zn2 O7 152.9(3) . . . . ?
N2 Zn1 Zn2 O7 69.6(3) . . . . ?
O1 Zn1 Zn2 O7 164.7(3) . . . . ?
O5 Zn1 Zn2 O6 8.72(4) . . . . ?
O2 Zn1 Zn2 O6 121.92(5) . . . . ?
N1 Zn1 Zn2 O6 85.75(5) . . . . ?
O3 Zn1 Zn2 O6 -85.17(4) . . . . ?
N2 Zn1 Zn2 O6 -168.47(4) . . . . ?
O1 Zn1 Zn2 O6 -73.43(6) . . . . ?
O5 Zn1 Zn2 O4 121.60(4) . . . . ?
O2 Zn1 Zn2 O4 -125.20(5) . . . . ?
N1 Zn1 Zn2 O4 -161.36(5) . . . . ?
O3 Zn1 Zn2 O4 27.72(4) . . . . ?
N2 Zn1 Zn2 O4 -55.58(4) . . . . ?
O1 Zn1 Zn2 O4 39.46(6) . . . . ?
O7 Zn2 O2 C12 58.98(10) . . . . ?
O6 Zn2 O2 C12 178.31(9) . . . . ?
O4 Zn2 O2 C12 -63.76(9) . . . . ?
Zn1 Zn2 O2 C12 -121.02(10) . . . . ?
O7 Zn2 O2 Zn1 180.00(4) . . . . ?
O6 Zn2 O2 Zn1 -60.67(5) . . . . ?
O4 Zn2 O2 Zn1 57.26(4) . . . . ?
O5 Zn1 O2 C12 -171.73(8) . . . . ?
N1 Zn1 O2 C12 -80.97(8) . . . . ?
O3 Zn1 O2 C12 99.32(8) . . . . ?
N2 Zn1 O2 C12 18.78(7) . . . . ?
O1 Zn1 O2 C12 -23.20(18) . . . . ?
Zn2 Zn1 O2 C12 125.83(9) . . . . ?
O5 Zn1 O2 Zn2 62.45(4) . . . . ?
N1 Zn1 O2 Zn2 153.21(4) . . . . ?
O3 Zn1 O2 Zn2 -26.50(5) . . . . ?
N2 Zn1 O2 Zn2 -107.05(4) . . . . ?
O1 Zn1 O2 Zn2 -149.03(12) . . . . ?
N1 C1 C2 C3 -0.48(17) . . . . ?
C6 C1 C2 C3 -179.47(11) . . . . ?
O5 Zn1 N2 C7 -54.13(19) . . . . ?
O2 Zn1 N2 C7 -5.63(8) . . . . ?
N1 Zn1 N2 C7 89.06(8) . . . . ?
O3 Zn1 N2 C7 -113.15(8) . . . . ?
O1 Zn1 N2 C7 165.05(8) . . . . ?
Zn2 Zn1 N2 C7 -42.91(8) . . . . ?
O5 Zn1 N2 C11 114.92(17) . . . . ?
O2 Zn1 N2 C11 163.42(10) . . . . ?
N1 Zn1 N2 C11 -101.89(10) . . . . ?
O3 Zn1 N2 C11 55.90(10) . . . . ?
O1 Zn1 N2 C11 -25.90(10) . . . . ?
Zn2 Zn1 N2 C11 126.14(10) . . . . ?
C1 C2 C3 C4 0.34(18) . . . . ?
O5 Zn1 O3 C13 -114.76(11) . . . . ?
O2 Zn1 O3 C13 -23.13(11) . . . . ?
N1 Zn1 O3 C13 157.62(10) . . . . ?
N2 Zn1 O3 C13 53.20(10) . . . . ?
O1 Zn1 O3 C13 144.98(11) . . . . ?
Zn2 Zn1 O3 C13 -40.58(10) . . . . ?
O2 Zn2 O4 C13 -64.36(10) . . . . ?
O7 Zn2 O4 C13 156.31(9) . . . . ?
O6 Zn2 O4 C13 49.56(10) . . . . ?
Zn1 Zn2 O4 C13 -28.67(9) . . . . ?
C2 C3 C4 C5 -0.12(18) . . . . ?
C1 N1 C5 C4 -0.13(17) . . . . ?
Zn1 N1 C5 C4 -176.64(9) . . . . ?
C3 C4 C5 N1 0.01(18) . . . . ?
O2 Zn1 O5 C15 -48.56(11) . . . . ?
N1 Zn1 O5 C15 -145.24(11) . . . . ?
O3 Zn1 O5 C15 57.28(11) . . . . ?
N2 Zn1 O5 C15 -1.3(2) . . . . ?
O1 Zn1 O5 C15 138.82(11) . . . . ?
Zn2 Zn1 O5 C15 -12.93(10) . . . . ?
Zn1 O1 C6 C1 -19.58(12) . . . . ?
N1 C1 C6 O1 15.65(14) . . . . ?
C2 C1 C6 O1 -165.30(10) . . . . ?
O2 Zn2 O6 C15 27.56(11) . . . . ?
O7 Zn2 O6 C15 165.33(10) . . . . ?
O4 Zn2 O6 C15 -87.00(11) . . . . ?
Zn1 Zn2 O6 C15 -9.52(10) . . . . ?
C11 N2 C7 C8 1.06(18) . . . . ?
Zn1 N2 C7 C8 170.78(10) . . . . ?
C11 N2 C7 C12 -177.61(10) . . . . ?
Zn1 N2 C7 C12 -7.88(12) . . . . ?
O2 Zn2 O7 C17 -28.72(12) . . . . ?
O6 Zn2 O7 C17 -149.81(10) . . . . ?
O4 Zn2 O7 C17 95.57(10) . . . . ?
Zn1 Zn2 O7 C17 -28.7(4) . . . . ?
N2 C7 C8 C9 -1.1(2) . . . . ?
C12 C7 C8 C9 177.45(13) . . . . ?
C7 C8 C9 C10 0.4(2) . . . . ?
C8 C9 C10 C11 0.3(2) . . . . ?
C7 N2 C11 C10 -0.30(18) . . . . ?
Zn1 N2 C11 C10 -168.89(10) . . . . ?
C9 C10 C11 N2 -0.4(2) . . . . ?
Zn2 O2 C12 C7 85.06(11) . . . . ?
Zn1 O2 C12 C7 -28.00(12) . . . . ?
N2 C7 C12 O2 23.98(15) . . . . ?
C8 C7 C12 O2 -154.67(12) . . . . ?
Zn1 O3 C13 O4 35.77(17) . . . . ?
Zn1 O3 C13 C14 -142.10(10) . . . . ?
Zn2 O4 C13 O3 8.62(17) . . . . ?
Zn2 O4 C13 C14 -173.46(9) . . . . ?
Zn1 O5 C15 O6 11.00(19) . . . . ?
Zn1 O5 C15 C16 -168.22(9) . . . . ?
Zn2 O6 C15 O5 3.80(18) . . . . ?
Zn2 O6 C15 C16 -176.98(9) . . . . ?
Zn2 O7 C17 O8 4.36(16) . . . . ?
Zn2 O7 C17 C18 -174.42(9) . . . . ?
