#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/38/7213853.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_7213853
loop_
_publ_author_name
'Wu, Hua'
'Lü, Xiao-Li'
'Yang, Chun-Long'
'Dong, Chang-Xun'
'Wu, Mei-Sheng'
_publ_section_title
;
 Diverse topologies of seven d10 coordination polymers constructed from a
 long ligand and different carboxylates
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              992
_journal_paper_doi               10.1039/c3ce41974f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C22 H30 N6 O6 Zn'
_chemical_formula_weight         539.89
_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                109.498(4)
_cell_angle_beta                 92.338(4)
_cell_angle_gamma                115.87(9)
_cell_formula_units_Z            2
_cell_length_a                   10.0880(4)
_cell_length_b                   10.1850(4)
_cell_length_c                   15.0410(7)
_cell_measurement_reflns_used    5783
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      3.0
_cell_volume                     1278.7(12)
_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 10.0
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.834
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9247
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.22
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.662
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5783
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0400
_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)+(0.0725P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                4108
_reflns_number_total             5783
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce41974f.txt
_cod_data_source_block           comp3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1278.72(10)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      'p -1'
_cod_database_code               7213853
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
Zn1 Zn 0.69639(3) 0.08857(3) 0.38240(2) 0.03791(12) Uani 1 1 d .
C1 C 0.8789(3) 0.1933(3) 0.2429(2) 0.0507(7) Uani 1 1 d .
H1 H 0.8882 0.2943 0.2692 0.061 Uiso 1 1 calc R
C2 C 0.8261(4) -0.0411(4) 0.2139(2) 0.0633(8) Uani 1 1 d .
H2 H 0.7868 -0.1394 0.2184 0.076 Uiso 1 1 calc R
C3 C 1.0330(6) 0.2327(6) 0.1189(3) 0.1001(14) Uani 1 1 d .
H3A H 1.0482 0.3403 0.1460 0.120 Uiso 1 1 calc R
H3B H 0.9814 0.1858 0.0515 0.120 Uiso 1 1 calc R
C4 C 1.1805(5) 0.2382(6) 0.1235(3) 0.1024(15) Uani 1 1 d .
H4A H 1.1683 0.1345 0.0848 0.123 Uiso 1 1 calc R
H4B H 1.2257 0.2668 0.1898 0.123 Uiso 1 1 calc R
C5 C 1.2854(7) 0.3622(7) 0.0851(5) 0.157(3) Uani 1 1 d .
H5A H 1.2381 0.3336 0.0193 0.188 Uiso 1 1 calc R
H5B H 1.2964 0.4652 0.1242 0.188 Uiso 1 1 calc R
C6 C 1.4247(9) 0.3727(11) 0.0867(6) 0.232(5) Uani 1 1 d .
H6A H 1.4167 0.2722 0.0453 0.278 Uiso 1 1 calc R
H6B H 1.4738 0.4004 0.1520 0.278 Uiso 1 1 calc R
C7 C 1.5217(11) 0.5109(10) 0.0477(5) 0.302(8) Uani 1 1 d .
H7A H 1.5226 0.6075 0.0894 0.363 Uiso 1 1 calc R
H7B H 1.6252 0.5299 0.0574 0.363 Uiso 1 1 calc R
C8 C 0.7519(3) 0.1212(4) 0.5857(2) 0.0543(7) Uani 1 1 d .
H8 H 0.6669 0.0238 0.5710 0.065 Uiso 1 1 calc R
C9 C 0.9239(3) 0.3250(3) 0.5781(2) 0.0567(7) Uani 1 1 d .
H9 H 0.9835 0.3981 0.5534 0.068 Uiso 1 1 calc R
C10 C 0.8313(8) 0.1809(7) 0.7608(3) 0.127(2) Uani 1 1 d .
H10A H 0.7810 0.0669 0.7422 0.152 Uiso 1 1 calc R
H10B H 0.9327 0.2233 0.7968 0.152 Uiso 1 1 calc R
C11 C 0.7604(9) 0.2387(14) 0.8163(6) 0.212(4) Uani 1 1 d .
H11A H 0.6597 0.1988 0.7802 0.254 Uiso 1 1 calc R
H11B H 0.8124 0.3531 0.8371 0.254 Uiso 1 1 calc R
C12 C 0.7479(8) 0.1958(12) 0.9083(5) 0.205(4) Uani 1 1 d .
H12A H 0.8163 0.1538 0.9139 0.245 Uiso 1 1 calc R
H12B H 0.7802 0.2919 0.9654 0.245 Uiso 1 1 calc R
C13 C 0.5953(7) 0.0799(8) 0.9056(3) 0.143(2) Uani 1 1 d .
H13A H 0.5692 -0.0215 0.8547 0.172 Uiso 1 1 calc R
H13B H 0.5245 0.1137 0.8897 0.172 Uiso 1 1 calc R
C14 C 0.5786(5) 0.0586(8) 1.0017(3) 0.133(2) Uani 1 1 d .
H14A H 0.6481 0.0231 1.0172 0.160 Uiso 1 1 calc R
H14B H 0.6057 0.1601 1.0528 0.160 Uiso 1 1 calc R
C15 C 0.5428(2) 0.3925(2) 0.37743(16) 0.0314(5) Uani 1 1 d .
C16 C 0.6235(2) 0.5408(2) 0.37525(17) 0.0332(5) Uani 1 1 d .
H16 H 0.7254 0.5805 0.3739 0.040 Uiso 1 1 calc R
C17 C 0.5519(2) 0.6308(2) 0.37512(17) 0.0317(5) Uani 1 1 d .
C18 C 0.4005(2) 0.5720(3) 0.37744(17) 0.0333(5) Uani 1 1 d .
H18 H 0.3528 0.6319 0.3767 0.040 Uiso 1 1 calc R
C19 C 0.3194(2) 0.4236(3) 0.38093(17) 0.0338(5) Uani 1 1 d .
C20 C 0.3911(2) 0.3336(2) 0.38010(17) 0.0331(5) Uani 1 1 d .
H20 H 0.3371 0.2336 0.3813 0.040 Uiso 1 1 calc R
C21 C 0.6208(3) 0.2972(3) 0.37969(18) 0.0360(5) Uani 1 1 d .
C22 C 0.6412(3) 0.7940(3) 0.37661(18) 0.0370(5) Uani 1 1 d .
O1 O 0.53905(18) 0.15537(18) 0.37323(13) 0.0433(4) Uani 1 1 d .
O2 O 0.75868(19) 0.3554(2) 0.38844(15) 0.0492(5) Uani 1 1 d .
O1W O 0.0764(2) 0.1092(3) 0.42668(18) 0.0601(6) Uani 1 1 d D
O3 O 0.78231(19) 0.85634(19) 0.39313(15) 0.0506(5) Uani 1 1 d .
O4 O 0.56858(18) 0.86281(18) 0.36186(14) 0.0456(4) Uani 1 1 d .
O5 O 0.17139(19) 0.3708(2) 0.38445(16) 0.0493(5) Uani 1 1 d D
N1 N 0.8060(2) 0.0787(2) 0.27333(15) 0.0428(5) Uani 1 1 d .
N2 N 0.9365(3) 0.1433(3) 0.16978(19) 0.0626(7) Uani 1 1 d .
N3 N 0.9039(4) -0.0100(4) 0.1500(2) 0.0785(8) Uani 1 1 d .
N4 N 0.8006(2) 0.1864(2) 0.52278(16) 0.0416(5) Uani 1 1 d .
N5 N 0.9522(3) 0.3474(4) 0.6686(2) 0.0764(8) Uani 1 1 d .
N6 N 0.8412(4) 0.2143(4) 0.6720(2) 0.0700(7) Uani 1 1 d .
H1WA H -0.007(3) 0.039(4) 0.414(3) 0.105 Uiso 1 1 d D
H1WB H 0.120(4) 0.128(5) 0.480(2) 0.105 Uiso 1 1 d D
H5WA H 0.132(4) 0.285(4) 0.395(3) 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'
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'
N N 0.0061 0.0033 '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
O4 Zn1 O1 100.86(9) 1_545 .
O4 Zn1 N4 102.05(10) 1_545 .
O1 Zn1 N4 107.28(8) . .
O4 Zn1 N1 104.11(9) 1_545 .
O1 Zn1 N1 115.42(8) . .
N4 Zn1 N1 123.60(9) . .
O4 Zn1 O2 158.08(6) 1_545 .
O1 Zn1 O2 57.61(10) . .
N4 Zn1 O2 89.58(9) . .
N1 Zn1 O2 84.04(9) . .
O4 Zn1 C21 130.13(7) 1_545 .
O1 Zn1 C21 29.37(8) . .
N4 Zn1 C21 99.26(8) . .
N1 Zn1 C21 100.44(9) . .
O2 Zn1 C21 28.23(7) . .
N2 C1 N1 110.0(3) . .
N2 C1 H1 125.0 . .
N1 C1 H1 125.0 . .
N3 C2 N1 115.6(3) . .
N3 C2 H2 122.2 . .
N1 C2 H2 122.2 . .
N2 C3 C4 114.1(4) . .
N2 C3 H3A 108.7 . .
C4 C3 H3A 108.7 . .
N2 C3 H3B 108.7 . .
C4 C3 H3B 108.7 . .
H3A C3 H3B 107.6 . .
C3 C4 C5 109.9(5) . .
C3 C4 H4A 109.7 . .
C5 C4 H4A 109.7 . .
C3 C4 H4B 109.7 . .
C5 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
C6 C5 C4 113.0(7) . .
C6 C5 H5A 109.0 . .
C4 C5 H5A 109.0 . .
C6 C5 H5B 109.0 . .
C4 C5 H5B 109.0 . .
H5A C5 H5B 107.8 . .
C5 C6 C7 106.8(9) . .
C5 C6 H6A 110.4 . .
C7 C6 H6A 110.4 . .
C5 C6 H6B 110.4 . .
C7 C6 H6B 110.4 . .
H6A C6 H6B 108.6 . .
C7 C7 C6 120.0(8) 2_865 .
C7 C7 H7A 107.3 2_865 .
C6 C7 H7A 107.3 . .
C7 C7 H7B 107.3 2_865 .
C6 C7 H7B 107.3 . .
H7A C7 H7B 106.9 . .
N6 C8 N4 110.2(3) . .
N6 C8 H8 124.9 . .
N4 C8 H8 124.9 . .
N5 C9 N4 114.4(3) . .
N5 C9 H9 122.8 . .
N4 C9 H9 122.8 . .
C11 C10 N6 114.3(5) . .
C11 C10 H10A 108.7 . .
N6 C10 H10A 108.7 . .
C11 C10 H10B 108.7 . .
N6 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
C10 C11 C12 112.6(7) . .
C10 C11 H11A 109.1 . .
C12 C11 H11A 109.1 . .
C10 C11 H11B 109.1 . .
C12 C11 H11B 109.1 . .
H11A C11 H11B 107.8 . .
C13 C12 C11 113.5(5) . .
C13 C12 H12A 108.9 . .
C11 C12 H12A 108.9 . .
C13 C12 H12B 108.9 . .
C11 C12 H12B 108.9 . .
H12A C12 H12B 107.7 . .
C12 C13 C14 113.1(4) . .
C12 C13 H13A 109.0 . .
C14 C13 H13A 109.0 . .
C12 C13 H13B 109.0 . .
C14 C13 H13B 109.0 . .
H13A C13 H13B 107.8 . .
C14 C14 C13 112.5(5) 2_657 .
C14 C14 H14A 109.1 2_657 .
C13 C14 H14A 109.1 . .
C14 C14 H14B 109.1 2_657 .
C13 C14 H14B 109.1 . .
H14A C14 H14B 107.8 . .
C16 C15 C20 120.1(2) . .
C16 C15 C21 119.73(19) . .
C20 C15 C21 120.10(19) . .
C15 C16 C17 119.8(2) . .
C15 C16 H16 120.1 . .
C17 C16 H16 120.1 . .
C18 C17 C16 120.1(2) . .
C18 C17 C22 120.2(2) . .
C16 C17 C22 119.62(19) . .
C17 C18 C19 120.3(2) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
O5 C19 C18 118.5(2) . .
O5 C19 C20 122.0(2) . .
C18 C19 C20 119.4(2) . .
C15 C20 C19 120.3(2) . .
C15 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
O2 C21 O1 121.9(2) . .
O2 C21 C15 120.6(2) . .
O1 C21 C15 117.50(19) . .
O2 C21 Zn1 71.96(14) . .
O1 C21 Zn1 49.98(10) . .
C15 C21 Zn1 167.45(16) . .
O3 C22 O4 123.4(2) . .
O3 C22 C17 119.0(2) . .
O4 C22 C17 117.6(2) . .
C21 O1 Zn1 100.64(15) . .
C21 O2 Zn1 79.80(16) . .
H1WA O1W H1WB 110(3) . .
C22 O4 Zn1 114.76(15) . 1_565
C19 O5 H5WA 113(3) . .
C1 N1 C2 102.4(2) . .
C1 N1 Zn1 127.15(19) . .
C2 N1 Zn1 130.41(19) . .
C1 N2 N3 110.1(2) . .
C1 N2 C3 128.5(3) . .
N3 N2 C3 121.1(3) . .
C2 N3 N2 101.7(3) . .
C8 N4 C9 102.6(2) . .
C8 N4 Zn1 124.1(2) . .
C9 N4 Zn1 133.26(19) . .
C9 N5 N6 103.0(3) . .
C8 N6 N5 109.8(3) . .
C8 N6 C10 127.1(4) . .
N5 N6 C10 123.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.988(3) 1_545
Zn1 O1 1.9971(17) .
Zn1 N4 2.014(2) .
Zn1 N1 2.014(2) .
Zn1 O2 2.4760(19) .
Zn1 C21 2.563(2) .
C1 N2 1.321(4) .
C1 N1 1.322(3) .
C1 H1 0.9300 .
C2 N3 1.298(4) .
C2 N1 1.354(4) .
C2 H2 0.9300 .
C3 N2 1.455(4) .
C3 C4 1.462(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.555(6) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.361(11) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.637(10) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C7 1.397(18) 2_865
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N6 1.317(4) .
C8 N4 1.322(3) .
C8 H8 0.9300 .
C9 N5 1.300(4) .
C9 N4 1.354(4) .
C9 H9 0.9300 .
C10 C11 1.282(8) .
C10 N6 1.481(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.578(7) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.464(8) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.538(6) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C14 1.497(10) 2_657
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.382(3) .
C15 C20 1.387(3) .
C15 C21 1.500(3) .
C16 C17 1.394(3) .
C16 H16 0.9300 .
C17 C18 1.382(3) .
C17 C22 1.497(3) .
C18 C19 1.390(3) .
C18 H18 0.9300 .
C19 O5 1.359(3) .
C19 C20 1.391(3) .
C20 H20 0.9300 .
C21 O2 1.232(3) .
C21 O1 1.279(3) .
C22 O3 1.252(3) .
C22 O4 1.271(3) .
O1W H1WA 0.79(2) .
O1W H1WB 0.81(2) .
O4 Zn1 1.988(3) 1_565
O5 H5WA 0.86(3) .
N2 N3 1.367(4) .
N5 N6 1.349(4) .
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 H1WB O3 0.81(2) 2.04(2) 2.848(3) 172(4) 2_666
O1W H1WA O3 0.79(2) 2.04(3) 2.834(5) 174(4) 1_445
O5 H5WA O1W 0.86(3) 1.86(3) 2.715(3) 172(4) .
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
N2 C3 C4 C5 -168.9(4) . .
C3 C4 C5 C6 -179.5(6) . .
C4 C5 C6 C7 -178.2(5) . .
C5 C6 C7 C7 -65.4(17) . 2_865
N6 C10 C11 C12 178.2(6) . .
C10 C11 C12 C13 -108.3(9) . .
C11 C12 C13 C14 -170.9(7) . .
C12 C13 C14 C14 179.2(8) . 2_657
C20 C15 C16 C17 -0.4(4) . .
C21 C15 C16 C17 -178.7(2) . .
C15 C16 C17 C18 0.2(4) . .
C15 C16 C17 C22 177.7(2) . .
C16 C17 C18 C19 0.7(4) . .
C22 C17 C18 C19 -176.8(2) . .
C17 C18 C19 O5 179.1(2) . .
C17 C18 C19 C20 -1.3(4) . .
C16 C15 C20 C19 -0.2(4) . .
C21 C15 C20 C19 178.1(2) . .
O5 C19 C20 C15 -179.4(2) . .
C18 C19 C20 C15 1.1(4) . .
C16 C15 C21 O2 6.6(4) . .
C20 C15 C21 O2 -171.7(2) . .
C16 C15 C21 O1 -174.1(2) . .
C20 C15 C21 O1 7.6(3) . .
C16 C15 C21 Zn1 -177.7(7) . .
C20 C15 C21 Zn1 4.0(9) . .
O4 Zn1 C21 O2 -174.16(14) 1_545 .
O1 Zn1 C21 O2 -179.7(3) . .
N4 Zn1 C21 O2 71.38(17) . .
N1 Zn1 C21 O2 -55.50(16) . .
O4 Zn1 C21 O1 5.55(19) 1_545 .
N4 Zn1 C21 O1 -108.90(17) . .
N1 Zn1 C21 O1 124.21(16) . .
O2 Zn1 C21 O1 179.7(3) . .
O4 Zn1 C21 C15 9.8(8) 1_545 .
O1 Zn1 C21 C15 4.2(7) . .
N4 Zn1 C21 C15 -104.7(8) . .
N1 Zn1 C21 C15 128.4(8) . .
O2 Zn1 C21 C15 -176.1(9) . .
C18 C17 C22 O3 166.4(2) . .
C16 C17 C22 O3 -11.1(4) . .
C18 C17 C22 O4 -12.8(4) . .
C16 C17 C22 O4 169.7(2) . .
O2 C21 O1 Zn1 0.3(3) . .
C15 C21 O1 Zn1 -178.97(17) . .
O4 Zn1 O1 C21 -175.68(15) 1_545 .
N4 Zn1 O1 C21 77.93(17) . .
N1 Zn1 O1 C21 -64.21(17) . .
O2 Zn1 O1 C21 -0.16(14) . .
O1 C21 O2 Zn1 -0.3(2) . .
C15 C21 O2 Zn1 179.0(2) . .
O4 Zn1 O2 C21 12.0(3) 1_545 .
O1 Zn1 O2 C21 0.16(15) . .
N4 Zn1 O2 C21 -110.72(16) . .
N1 Zn1 O2 C21 125.42(16) . .
O3 C22 O4 Zn1 -7.0(3) . 1_565
C17 C22 O4 Zn1 172.23(16) . 1_565
N2 C1 N1 C2 0.6(3) . .
N2 C1 N1 Zn1 -179.93(18) . .
N3 C2 N1 C1 -0.3(4) . .
N3 C2 N1 Zn1 -179.7(2) . .
O4 Zn1 N1 C1 164.3(2) 1_545 .
O1 Zn1 N1 C1 54.8(3) . .
N4 Zn1 N1 C1 -80.5(3) . .
O2 Zn1 N1 C1 5.0(2) . .
C21 Zn1 N1 C1 28.1(2) . .
O4 Zn1 N1 C2 -16.4(3) 1_545 .
O1 Zn1 N1 C2 -126.0(3) . .
N4 Zn1 N1 C2 98.7(3) . .
O2 Zn1 N1 C2 -175.7(3) . .
C21 Zn1 N1 C2 -152.7(3) . .
N1 C1 N2 N3 -0.8(4) . .
N1 C1 N2 C3 -175.5(3) . .
C4 C3 N2 C1 119.7(4) . .
C4 C3 N2 N3 -54.6(5) . .
N1 C2 N3 N2 -0.2(4) . .
C1 N2 N3 C2 0.6(4) . .
C3 N2 N3 C2 175.8(3) . .
N6 C8 N4 C9 -0.6(3) . .
N6 C8 N4 Zn1 -178.53(18) . .
N5 C9 N4 C8 -0.1(3) . .
N5 C9 N4 Zn1 177.6(2) . .
O4 Zn1 N4 C8 -19.3(2) 1_545 .
O1 Zn1 N4 C8 86.3(2) . .
N1 Zn1 N4 C8 -135.5(2) . .
O2 Zn1 N4 C8 142.0(2) . .
C21 Zn1 N4 C8 115.3(2) . .
O4 Zn1 N4 C9 163.4(2) 1_545 .
O1 Zn1 N4 C9 -91.0(2) . .
N1 Zn1 N4 C9 47.3(3) . .
O2 Zn1 N4 C9 -35.3(2) . .
C21 Zn1 N4 C9 -61.9(2) . .
N4 C9 N5 N6 0.7(4) . .
N4 C8 N6 N5 1.0(4) . .
N4 C8 N6 C10 -176.2(3) . .
C9 N5 N6 C8 -1.0(4) . .
C9 N5 N6 C10 176.4(3) . .
C11 C10 N6 C8 -96.2(8) . .
C11 C10 N6 N5 86.9(8) . .
