#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:21:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180423 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/92/7209240.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_7209240
loop_
_publ_author_name
'Liu, Ying-Ying'
'Liu, Hai-Yan'
'Ma, Jian-Fang'
'Yang, Yan'
'Yang, Jin'
_publ_section_title
;
 Syntheses, structures and photoluminescent properties of Zn(ii) and
 Cd(ii) coordination polymers with flexible tripodal triazole-containing
 ligands
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1897
_journal_paper_doi               10.1039/c2ce26958a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C52 H52 N18 O9 Zn2'
_chemical_formula_weight         1203.86
_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                115.528(6)
_cell_angle_beta                 106.801(5)
_cell_angle_gamma                91.358(4)
_cell_formula_units_Z            1
_cell_length_a                   10.7033(16)
_cell_length_b                   11.880(4)
_cell_length_c                   12.457(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1348.0(8)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0763
_diffrn_reflns_av_sigmaI/netI    0.2744
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9431
_diffrn_reflns_theta_full        25.37
_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.964
_exptl_absorpt_correction_T_max  0.8610
_exptl_absorpt_correction_T_min  0.8087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             622
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.826
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         4913
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.1829
_refine_ls_R_factor_gt           0.0580
_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)+(0.0276P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.1075
_reflns_number_gt                1718
_reflns_number_total             4913
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26958a.txt
_cod_data_source_block           1
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7209240
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 0.31893(9) 0.45765(7) 0.60391(7) 0.0472(3) Uani 1 1 d .
C1 C 0.5602(8) 0.3762(7) 0.6393(7) 0.0553(19) Uani 1 1 d .
C2 C 0.7070(7) 0.3905(5) 0.7028(5) 0.0432(16) Uani 1 1 d .
C3 C 0.7461(7) 0.3636(5) 0.8051(6) 0.0538(18) Uani 1 1 d .
H3 H 0.6820 0.3387 0.8311 0.065 Uiso 1 1 calc R
C4 C 0.8768(8) 0.3730(5) 0.8674(6) 0.0564(19) Uani 1 1 d .
H4 H 0.9012 0.3573 0.9369 0.068 Uiso 1 1 calc R
C5 C 0.9701(7) 0.4051(5) 0.8282(6) 0.0539(19) Uani 1 1 d .
H5 H 1.0592 0.4093 0.8691 0.065 Uiso 1 1 calc R
C6 C 0.9336(7) 0.4317(5) 0.7276(6) 0.0486(18) Uani 1 1 d .
H6 H 0.9989 0.4547 0.7017 0.058 Uiso 1 1 calc R
C7 C 0.8024(7) 0.4250(5) 0.6641(5) 0.0383(16) Uani 1 1 d .
C8 C 0.7732(8) 0.4626(5) 0.5595(6) 0.0454(17) Uani 1 1 d .
C9 C 0.2182(8) 0.1695(6) 0.4830(6) 0.0541(19) Uani 1 1 d .
H9 H 0.3016 0.1465 0.4986 0.065 Uiso 1 1 calc R
C10 C 0.0597(7) 0.2739(6) 0.4800(6) 0.0518(18) Uani 1 1 d .
H10 H 0.0126 0.3407 0.4955 0.062 Uiso 1 1 calc R
C11 C 0.0861(7) -0.0482(6) 0.3437(6) 0.070(2) Uani 1 1 d .
H11A H 0.0247 -0.0852 0.3685 0.083 Uiso 1 1 calc R
H11B H 0.1697 -0.0768 0.3650 0.083 Uiso 1 1 calc R
C12 C 0.0327(8) -0.0953(5) 0.2029(6) 0.0518(18) Uani 1 1 d .
C13 C 0.1233(7) -0.0899(5) 0.1428(6) 0.0480(17) Uani 1 1 d .
C14 C 0.0746(7) -0.1367(5) 0.0110(7) 0.0491(18) Uani 1 1 d .
C15 C -0.0592(7) -0.1916(5) -0.0600(6) 0.0488(17) Uani 1 1 d .
C16 C -0.1434(7) -0.2000(6) 0.0040(8) 0.0582(19) Uani 1 1 d .
C17 C -0.1006(8) -0.1480(6) 0.1354(8) 0.0548(18) Uani 1 1 d .
C18 C -0.1954(7) -0.1486(6) 0.2048(7) 0.094(3) Uani 1 1 d .
H18A H -0.1484 -0.1092 0.2939 0.141 Uiso 1 1 calc R
H18B H -0.2337 -0.2343 0.1775 0.141 Uiso 1 1 calc R
H18C H -0.2645 -0.1026 0.1871 0.141 Uiso 1 1 calc R
C19 C 0.2681(6) -0.0414(5) 0.2134(5) 0.0579(19) Uani 1 1 d .
H19A H 0.3133 -0.0464 0.1556 0.087 Uiso 1 1 calc R
H19B H 0.3031 -0.0918 0.2542 0.087 Uiso 1 1 calc R
H19C H 0.2806 0.0451 0.2756 0.087 Uiso 1 1 calc R
C20 C -0.1073(6) -0.2396(5) -0.1984(6) 0.068(2) Uani 1 1 d .
H20A H -0.2002 -0.2733 -0.2312 0.102 Uiso 1 1 calc R
H20B H -0.0599 -0.3050 -0.2358 0.102 Uiso 1 1 calc R
H20C H -0.0931 -0.1715 -0.2180 0.102 Uiso 1 1 calc R
C21 C 0.1677(6) -0.1303(5) -0.0592(5) 0.0535(18) Uani 1 1 d .
H21A H 0.1212 -0.1091 -0.1256 0.064 Uiso 1 1 calc R
H21B H 0.2423 -0.0626 -0.0012 0.064 Uiso 1 1 calc R
C22 C 0.2163(6) -0.3158(6) -0.2309(5) 0.0472(17) Uani 1 1 d .
H22 H 0.1753 -0.2981 -0.2972 0.057 Uiso 1 1 calc R
C23 C 0.3207(7) -0.3955(6) -0.1243(6) 0.069(2) Uani 1 1 d .
H23 H 0.3700 -0.4499 -0.1014 0.082 Uiso 1 1 calc R
C24 C -0.2823(10) -0.2771(8) -0.0759(8) 0.113(3) Uani 1 1 d .
H24A H -0.3161 -0.3021 -0.0237 0.135 Uiso 1 1 calc R
H24B H -0.2736 -0.3540 -0.1437 0.135 Uiso 1 1 calc R
C25 C -0.4536(9) -0.2607(9) -0.2670(11) 0.087(3) Uani 1 1 d .
H25 H -0.4374 -0.3279 -0.3329 0.105 Uiso 1 1 calc R
C26 C -0.5287(12) -0.0974(15) -0.1506(19) 0.188(9) Uani 1 1 d .
H26 H -0.5795 -0.0339 -0.1300 0.226 Uiso 1 1 calc R
N1 N 0.1067(7) 0.0903(5) 0.4157(5) 0.0506(15) Uani 1 1 d .
N2 N 0.0036(6) 0.1542(6) 0.4110(5) 0.0619(16) Uani 1 1 d .
N3 N 0.1951(6) 0.2893(4) 0.5266(4) 0.0491(14) Uani 1 1 d .
N4 N 0.2179(5) -0.2477(4) -0.1150(5) 0.0486(14) Uani 1 1 d .
N5 N 0.2880(7) -0.2988(6) -0.0435(5) 0.082(2) Uani 1 1 d .
N6 N 0.2786(5) -0.4113(4) -0.2429(5) 0.0452(13) Uani 1 1 d .
N7 N -0.3878(9) -0.2162(10) -0.1353(11) 0.127(3) Uani 1 1 d .
N8 N -0.4313(12) -0.1124(10) -0.0586(11) 0.162(4) Uani 1 1 d .
N9 N -0.5466(15) -0.1832(15) -0.2766(11) 0.219(8) Uani 1 1 d .
O1 O 0.5014(4) 0.2821(4) 0.5372(4) 0.0704(14) Uani 1 1 d .
O2 O 0.5027(4) 0.4632(4) 0.6997(4) 0.0621(13) Uani 1 1 d .
O3 O 0.6619(5) 0.4938(4) 0.5267(4) 0.0536(12) Uani 1 1 d .
O4 O 0.8593(5) 0.4662(4) 0.5133(4) 0.0616(13) Uani 1 1 d .
O1W O 0.6210(9) 0.0589(8) 0.4577(8) 0.072(3) Uani 0.50 1 d PD
H1A H 0.570(6) 0.034(7) 0.486(7) 0.108 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
O2 Zn1 O3 103.53(18) . 2_666
O2 Zn1 N3 115.6(2) . .
O3 Zn1 N3 112.45(17) 2_666 .
O2 Zn1 N6 94.7(2) . 1_566
O3 Zn1 N6 119.07(19) 2_666 1_566
N3 Zn1 N6 110.25(18) . 1_566
O2 Zn1 O4 154.25(15) . 2_666
O3 Zn1 O4 57.06(16) 2_666 2_666
N3 Zn1 O4 88.98(19) . 2_666
N6 Zn1 O4 82.89(18) 1_566 2_666
O2 Zn1 C8 130.6(2) . 2_666
O3 Zn1 C8 28.96(18) 2_666 2_666
N3 Zn1 C8 101.7(2) . 2_666
N6 Zn1 C8 101.7(2) 1_566 2_666
O4 Zn1 C8 28.10(15) 2_666 2_666
O1 C1 O2 123.9(8) . .
O1 C1 C2 120.3(7) . .
O2 C1 C2 115.8(6) . .
C7 C2 C3 118.9(6) . .
C7 C2 C1 123.9(6) . .
C3 C2 C1 117.2(6) . .
C4 C3 C2 121.1(6) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C5 C4 C3 120.0(6) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 119.7(7) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C5 C6 C7 121.6(6) . .
C5 C6 H6 119.2 . .
C7 C6 H6 119.2 . .
C2 C7 C6 118.7(6) . .
C2 C7 C8 123.8(6) . .
C6 C7 C8 117.4(6) . .
O4 C8 O3 123.0(6) . .
O4 C8 C7 119.2(7) . .
O3 C8 C7 117.8(6) . .
O4 C8 Zn1 72.7(4) . 2_666
O3 C8 Zn1 50.3(3) . 2_666
C7 C8 Zn1 167.8(5) . 2_666
N1 C9 N3 110.1(6) . .
N1 C9 H9 125.0 . .
N3 C9 H9 125.0 . .
N2 C10 N3 112.6(6) . .
N2 C10 H10 123.7 . .
N3 C10 H10 123.7 . .
N1 C11 C12 113.3(5) . .
N1 C11 H11A 108.9 . .
C12 C11 H11A 108.9 . .
N1 C11 H11B 108.9 . .
C12 C11 H11B 108.9 . .
H11A C11 H11B 107.7 . .
C17 C12 C13 121.8(6) . .
C17 C12 C11 120.7(6) . .
C13 C12 C11 117.4(7) . .
C12 C13 C14 117.7(6) . .
C12 C13 C19 122.1(6) . .
C14 C13 C19 120.1(6) . .
C13 C14 C15 121.9(6) . .
C13 C14 C21 120.1(6) . .
C15 C14 C21 118.0(6) . .
C16 C15 C14 117.9(6) . .
C16 C15 C20 121.5(7) . .
C14 C15 C20 120.6(6) . .
C15 C16 C17 121.8(6) . .
C15 C16 C24 117.1(7) . .
C17 C16 C24 121.0(7) . .
C12 C17 C16 118.7(6) . .
C12 C17 C18 119.9(7) . .
C16 C17 C18 121.4(7) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C13 C19 H19A 109.5 . .
C13 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C13 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N4 C21 C14 113.9(4) . .
N4 C21 H21A 108.8 . .
C14 C21 H21A 108.8 . .
N4 C21 H21B 108.8 . .
C14 C21 H21B 108.8 . .
H21A C21 H21B 107.7 . .
N6 C22 N4 112.5(5) . .
N6 C22 H22 123.7 . .
N4 C22 H22 123.7 . .
N5 C23 N6 115.2(6) . .
N5 C23 H23 122.4 . .
N6 C23 H23 122.4 . .
C16 C24 N7 118.7(6) . .
C16 C24 H24A 107.6 . .
N7 C24 H24A 107.6 . .
C16 C24 H24B 107.6 . .
N7 C24 H24B 107.6 . .
H24A C24 H24B 107.1 . .
N9 C25 N7 105.9(11) . .
N9 C25 H25 127.1 . .
N7 C25 H25 127.1 . .
N8 C26 N9 116.6(16) . .
N8 C26 H26 121.7 . .
N9 C26 H26 121.7 . .
C9 N1 N2 110.2(5) . .
C9 N1 C11 128.5(7) . .
N2 N1 C11 121.2(6) . .
C10 N2 N1 104.1(5) . .
C9 N3 C10 103.0(5) . .
C9 N3 Zn1 131.3(5) . .
C10 N3 Zn1 124.2(5) . .
C22 N4 N5 107.8(5) . .
C22 N4 C21 130.5(6) . .
N5 N4 C21 121.4(5) . .
C23 N5 N4 103.0(5) . .
C22 N6 C23 101.4(5) . .
C22 N6 Zn1 130.3(4) . 1_544
C23 N6 Zn1 128.1(5) . 1_544
N8 N7 C25 114.3(10) . .
N8 N7 C24 119.9(12) . .
C25 N7 C24 125.7(11) . .
N7 N8 C26 99.4(12) . .
C25 N9 C26 103.9(13) . .
C1 O2 Zn1 114.9(5) . .
C8 O3 Zn1 100.8(4) . 2_666
C8 O4 Zn1 79.2(4) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 1.966(4) .
Zn1 O3 2.005(4) 2_666
Zn1 N3 2.040(5) .
Zn1 N6 2.049(5) 1_566
Zn1 O4 2.490(4) 2_666
Zn1 C8 2.561(6) 2_666
C1 O1 1.242(7) .
C1 O2 1.281(7) .
C1 C2 1.509(9) .
C2 C7 1.370(7) .
C2 C3 1.396(7) .
C3 C4 1.364(8) .
C3 H3 0.9300 .
C4 C5 1.343(8) .
C4 H4 0.9300 .
C5 C6 1.373(7) .
C5 H5 0.9300 .
C6 C7 1.380(7) .
C6 H6 0.9300 .
C7 C8 1.506(8) .
C8 O4 1.228(6) .
C8 O3 1.262(7) .
C8 Zn1 2.561(6) 2_666
C9 N1 1.304(7) .
C9 N3 1.346(6) .
C9 H9 0.9300 .
C10 N2 1.315(7) .
C10 N3 1.371(7) .
C10 H10 0.9300 .
C11 N1 1.468(7) .
C11 C12 1.509(8) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C17 1.394(8) .
C12 C13 1.402(8) .
C13 C14 1.407(8) .
C13 C19 1.497(8) .
C14 C15 1.409(8) .
C14 C21 1.524(7) .
C15 C16 1.392(8) .
C15 C20 1.479(7) .
C16 C17 1.397(8) .
C16 C24 1.528(9) .
C17 C18 1.513(7) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 N4 1.460(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 N6 1.304(7) .
C22 N4 1.310(6) .
C22 H22 0.9300 .
C23 N5 1.296(7) .
C23 N6 1.339(7) .
C23 H23 0.9300 .
C24 N7 1.537(10) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N9 1.387(18) .
C25 N7 1.426(11) .
C25 H25 0.9300 .
C26 N8 1.387(14) .
C26 N9 1.406(18) .
C26 H26 0.9300 .
N1 N2 1.355(7) .
N4 N5 1.352(7) .
N6 Zn1 2.049(5) 1_544
N7 N8 1.385(11) .
O3 Zn1 2.005(4) 2_666
O4 Zn1 2.490(4) 2_666
O1W H1A 0.840(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_4
O1 C1 C2 C7 75.6(8) . .
O2 C1 C2 C7 -107.2(6) . .
O1 C1 C2 C3 -102.8(7) . .
O2 C1 C2 C3 74.5(7) . .
C7 C2 C3 C4 1.0(9) . .
C1 C2 C3 C4 179.5(6) . .
C2 C3 C4 C5 -2.0(9) . .
C3 C4 C5 C6 1.8(9) . .
C4 C5 C6 C7 -0.7(9) . .
C3 C2 C7 C6 0.1(8) . .
C1 C2 C7 C6 -178.3(6) . .
C3 C2 C7 C8 -176.8(5) . .
C1 C2 C7 C8 4.8(9) . .
C5 C6 C7 C2 -0.3(9) . .
C5 C6 C7 C8 176.9(5) . .
C2 C7 C8 O4 -164.8(5) . .
C6 C7 C8 O4 18.2(8) . .
C2 C7 C8 O3 17.8(8) . .
C6 C7 C8 O3 -159.1(5) . .
C2 C7 C8 Zn1 29(2) . 2_666
C6 C7 C8 Zn1 -148.0(17) . 2_666
N1 C11 C12 C17 -103.0(7) . .
N1 C11 C12 C13 80.1(8) . .
C17 C12 C13 C14 1.6(9) . .
C11 C12 C13 C14 178.4(5) . .
C17 C12 C13 C19 -175.9(6) . .
C11 C12 C13 C19 0.9(8) . .
C12 C13 C14 C15 -2.3(8) . .
C19 C13 C14 C15 175.3(5) . .
C12 C13 C14 C21 178.5(5) . .
C19 C13 C14 C21 -4.0(8) . .
C13 C14 C15 C16 -0.7(8) . .
C21 C14 C15 C16 178.6(5) . .
C13 C14 C15 C20 179.8(5) . .
C21 C14 C15 C20 -0.9(8) . .
C14 C15 C16 C17 4.5(9) . .
C20 C15 C16 C17 -176.0(6) . .
C14 C15 C16 C24 -171.1(6) . .
C20 C15 C16 C24 8.4(9) . .
C13 C12 C17 C16 2.0(9) . .
C11 C12 C17 C16 -174.7(6) . .
C13 C12 C17 C18 -178.4(5) . .
C11 C12 C17 C18 5.0(9) . .
C15 C16 C17 C12 -5.2(9) . .
C24 C16 C17 C12 170.3(6) . .
C15 C16 C17 C18 175.2(6) . .
C24 C16 C17 C18 -9.4(10) . .
C13 C14 C21 N4 97.3(6) . .
C15 C14 C21 N4 -82.0(7) . .
C15 C16 C24 N7 -79.3(10) . .
C17 C16 C24 N7 105.1(9) . .
N3 C9 N1 N2 0.2(7) . .
N3 C9 N1 C11 175.5(5) . .
C12 C11 N1 C9 -111.1(7) . .
C12 C11 N1 N2 63.7(8) . .
N3 C10 N2 N1 1.3(7) . .
C9 N1 N2 C10 -0.9(6) . .
C11 N1 N2 C10 -176.6(5) . .
N1 C9 N3 C10 0.5(6) . .
N1 C9 N3 Zn1 -165.2(4) . .
N2 C10 N3 C9 -1.2(7) . .
N2 C10 N3 Zn1 165.9(4) . .
O2 Zn1 N3 C9 -31.1(5) . .
O3 Zn1 N3 C9 87.5(5) 2_666 .
N6 Zn1 N3 C9 -137.0(5) 1_566 .
O4 Zn1 N3 C9 140.9(5) 2_666 .
C8 Zn1 N3 C9 115.7(5) 2_666 .
O2 Zn1 N3 C10 165.7(4) . .
O3 Zn1 N3 C10 -75.7(5) 2_666 .
N6 Zn1 N3 C10 59.8(5) 1_566 .
O4 Zn1 N3 C10 -22.2(4) 2_666 .
C8 Zn1 N3 C10 -47.5(5) 2_666 .
N6 C22 N4 N5 1.3(7) . .
N6 C22 N4 C21 176.0(5) . .
C14 C21 N4 C22 126.8(6) . .
C14 C21 N4 N5 -59.1(8) . .
N6 C23 N5 N4 0.5(8) . .
C22 N4 N5 C23 -1.0(7) . .
C21 N4 N5 C23 -176.3(5) . .
N4 C22 N6 C23 -0.9(7) . .
N4 C22 N6 Zn1 -175.6(4) . 1_544
N5 C23 N6 C22 0.3(8) . .
N5 C23 N6 Zn1 175.1(5) . 1_544
N9 C25 N7 N8 -1.2(12) . .
N9 C25 N7 C24 175.7(9) . .
C16 C24 N7 N8 -65.0(11) . .
C16 C24 N7 C25 118.4(9) . .
C25 N7 N8 C26 1.0(10) . .
C24 N7 N8 C26 -176.0(7) . .
N9 C26 N8 N7 -0.6(13) . .
N7 C25 N9 C26 0.7(14) . .
N8 C26 N9 C25 -0.1(16) . .
O1 C1 O2 Zn1 -12.2(7) . .
C2 C1 O2 Zn1 170.6(4) . .
O3 Zn1 O2 C1 -69.3(4) 2_666 .
N3 Zn1 O2 C1 54.1(4) . .
N6 Zn1 O2 C1 169.3(4) 1_566 .
O4 Zn1 O2 C1 -107.3(5) 2_666 .
C8 Zn1 O2 C1 -80.9(5) 2_666 .
O4 C8 O3 Zn1 -0.3(7) . 2_666
C7 C8 O3 Zn1 177.0(4) . 2_666
O3 C8 O4 Zn1 0.2(6) . 2_666
C7 C8 O4 Zn1 -177.0(5) . 2_666
