#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:52:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180484 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/53/7215317.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_7215317
loop_
_publ_author_name
'Wang, Ju'
'Zhu, Xia'
'Cui, Yan-Feng'
'Li, Bao-Long'
'Li, Hai-Yan'
_publ_section_title
;
 A polythreading coordination array formed from 2D grid networks and 1D
 chains
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3342
_journal_paper_doi               10.1039/c0ce00782j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C26 H28 Cl N12 O7 Zn2'
_chemical_formula_weight         786.79
_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                93.327(4)
_cell_angle_beta                 98.686(5)
_cell_angle_gamma                111.005(7)
_cell_formula_units_Z            2
_cell_length_a                   10.283(3)
_cell_length_b                   10.282(3)
_cell_length_c                   17.380(5)
_cell_measurement_reflns_used    6421
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0043
_cell_volume                     1683.2(9)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16475
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.566
_exptl_absorpt_correction_T_max  0.7448
_exptl_absorpt_correction_T_min  0.4340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             802
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.132
_refine_diff_density_min         -0.379
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         6124
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0884P)²+2.4132P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1567
_refine_ls_wR_factor_ref         0.1683
_reflns_number_gt                5151
_reflns_number_total             6124
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00782j.txt
_cod_data_source_block           Zn-btp-Cl-phth
_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/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/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        1683.3(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7215317
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 0.51969(5) 0.11066(5) 0.19810(3) 0.03403(18) Uani 1 1 d .
Zn2 Zn 0.88008(6) 0.43526(6) 0.62337(3) 0.0448(2) Uani 1 1 d .
Cl1 Cl 1.06318(19) 0.59940(18) 0.70044(12) 0.0806(5) Uani 1 1 d .
O1 O 0.5221(4) 0.2844(3) 0.15742(17) 0.0413(8) Uani 1 1 d .
O2 O 0.5223(4) 0.1644(3) 0.04727(19) 0.0455(8) Uani 1 1 d .
O3 O 0.5646(4) 0.1185(4) 0.31172(19) 0.0522(9) Uani 1 1 d .
O4 O 0.3730(4) 0.1539(4) 0.3338(2) 0.0593(10) Uani 1 1 d .
O5 O 0.9234(4) 0.3082(4) 0.5538(2) 0.0531(9) Uani 1 1 d .
O6 O 0.9360(4) 0.2041(4) 0.6605(2) 0.0601(10) Uani 1 1 d .
O7 O 0.2331(12) 0.3103(11) 0.2670(7) 0.084(3) Uani 0.50 1 d PD
O8 O 0.141(2) 0.2113(15) 0.1050(8) 0.139(7) Uani 0.50 1 d PD
N1 N 0.1081(4) -0.1850(4) 0.1435(2) 0.0387(9) Uani 1 1 d .
N2 N 0.1538(5) -0.2155(5) 0.0780(3) 0.0487(11) Uani 1 1 d .
N3 N 0.3269(4) -0.0422(4) 0.1580(2) 0.0398(9) Uani 1 1 d .
N4 N -0.1922(4) -0.0430(4) 0.1241(2) 0.0421(9) Uani 1 1 d .
N5 N -0.1207(4) 0.0082(5) 0.1992(3) 0.0488(11) Uani 1 1 d .
N6 N -0.3231(4) 0.0460(4) 0.1775(2) 0.0370(9) Uani 1 1 d .
N7 N 0.6793(4) 0.5150(4) 0.4152(3) 0.0449(10) Uani 1 1 d .
N8 N 0.6491(5) 0.6070(5) 0.4632(3) 0.0509(11) Uani 1 1 d .
N9 N 0.7807(5) 0.5076(5) 0.5336(3) 0.0494(11) Uani 1 1 d .
N10 N 0.4979(5) 0.7037(5) 0.2975(3) 0.0480(10) Uani 1 1 d .
N11 N 0.4146(6) 0.6691(6) 0.2256(3) 0.0599(13) Uani 1 1 d .
N12 N 0.2827(5) 0.6376(5) 0.3191(2) 0.0464(10) Uani 1 1 d .
C1 C -0.0374(5) -0.2601(6) 0.1543(3) 0.0476(12) Uani 1 1 d .
H1A H -0.0526 -0.2183 0.2019 0.057 Uiso 1 1 calc R
H1B H -0.0510 -0.3571 0.1602 0.057 Uiso 1 1 calc R
C2 C -0.1446(6) -0.2557(6) 0.0858(3) 0.0513(13) Uani 1 1 d .
H2A H -0.2387 -0.3068 0.0959 0.062 Uiso 1 1 calc R
H2B H -0.1333 -0.3047 0.0394 0.062 Uiso 1 1 calc R
C3 C -0.1356(6) -0.1106(7) 0.0684(3) 0.0534(14) Uani 1 1 d .
H3A H -0.0372 -0.0523 0.0694 0.064 Uiso 1 1 calc R
H3B H -0.1877 -0.1174 0.0159 0.064 Uiso 1 1 calc R
C5 C 0.2109(5) -0.0818(5) 0.1903(3) 0.0404(11) Uani 1 1 d .
H5A H 0.2037 -0.0428 0.2383 0.049 Uiso 1 1 calc R
C4 C 0.2846(6) -0.1276(6) 0.0894(3) 0.0455(12) Uani 1 1 d .
H4A H 0.3439 -0.1238 0.0535 0.055 Uiso 1 1 calc R
C6 C -0.2048(5) 0.0592(5) 0.2281(3) 0.0437(12) Uani 1 1 d .
H6A H -0.1848 0.1012 0.2796 0.052 Uiso 1 1 calc R
C7 C -0.3106(5) -0.0201(5) 0.1126(3) 0.0414(11) Uani 1 1 d .
H7A H -0.3763 -0.0463 0.0659 0.050 Uiso 1 1 calc R
C8 C 0.5098(5) 0.3903(4) 0.0405(2) 0.0306(9) Uani 1 1 d .
C9 C 0.5502(5) 0.4056(5) -0.0322(3) 0.0373(10) Uani 1 1 d .
H9A H 0.5839 0.3421 -0.0541 0.045 Uiso 1 1 calc R
C10 C 0.5400(5) 0.5158(5) -0.0722(3) 0.0361(10) Uani 1 1 d .
H10A H 0.5673 0.5258 -0.1209 0.043 Uiso 1 1 calc R
C11 C 0.5194(5) 0.2699(5) 0.0832(3) 0.0350(10) Uani 1 1 d .
C12 C 0.4893(5) 0.0594(5) 0.4304(2) 0.0322(9) Uani 1 1 d .
C13 C 0.6028(5) 0.0195(5) 0.4544(3) 0.0419(11) Uani 1 1 d .
H13A H 0.6719 0.0321 0.4236 0.050 Uiso 1 1 calc R
C14 C 0.6144(5) -0.0390(5) 0.5237(3) 0.0396(11) Uani 1 1 d .
H14A H 0.6915 -0.0646 0.5395 0.048 Uiso 1 1 calc R
C15 C 0.4721(5) 0.1169(5) 0.3533(3) 0.0405(11) Uani 1 1 d .
C16 C 0.6254(6) 0.4892(6) 0.3313(3) 0.0502(13) Uani 1 1 d .
H16A H 0.5233 0.4620 0.3226 0.060 Uiso 1 1 calc R
H16B H 0.6455 0.4109 0.3095 0.060 Uiso 1 1 calc R
C17 C 0.6870(6) 0.6134(6) 0.2878(3) 0.0515(13) Uani 1 1 d .
H17A H 0.7893 0.6421 0.2982 0.062 Uiso 1 1 calc R
H17B H 0.6546 0.5830 0.2320 0.062 Uiso 1 1 calc R
C18 C 0.6511(6) 0.7388(6) 0.3075(4) 0.0604(15) Uani 1 1 d .
H18A H 0.6945 0.7782 0.3614 0.072 Uiso 1 1 calc R
H18B H 0.6903 0.8095 0.2740 0.072 Uiso 1 1 calc R
C19 C 0.7117(6) 0.5981(6) 0.5331(3) 0.0489(12) Uani 1 1 d .
H19A H 0.7091 0.6493 0.5784 0.059 Uiso 1 1 calc R
C20 C 0.7575(6) 0.4575(6) 0.4574(3) 0.0516(13) Uani 1 1 d .
H20A H 0.7914 0.3925 0.4375 0.062 Uiso 1 1 calc R
C21 C 0.2867(6) 0.6290(7) 0.2420(3) 0.0545(14) Uani 1 1 d .
H21A H 0.2053 0.5973 0.2034 0.065 Uiso 1 1 calc R
C22 C 0.4186(6) 0.6860(6) 0.3524(3) 0.0489(13) Uani 1 1 d .
H22A H 0.4531 0.7046 0.4061 0.059 Uiso 1 1 calc R
C23 C 0.9737(5) 0.1023(5) 0.5432(3) 0.0355(10) Uani 1 1 d .
C24 C 0.9927(5) -0.0087(5) 0.5782(3) 0.0408(11) Uani 1 1 d .
H24A H 0.9877 -0.0146 0.6309 0.049 Uiso 1 1 calc R
C25 C 1.0190(5) -0.1107(5) 0.5351(3) 0.0409(11) Uani 1 1 d .
H25A H 1.0318 -0.1851 0.5588 0.049 Uiso 1 1 calc R
C26 C 0.9427(5) 0.2115(5) 0.5906(3) 0.0410(11) Uani 1 1 d .
H1W H 0.266(12) 0.302(13) 0.226(4) 0.049 Uiso 0.50 1 d PD
H2W H 0.168(9) 0.247(9) 0.281(7) 0.049 Uiso 0.50 1 d PD
H3W H 0.187(11) 0.218(12) 0.151(3) 0.049 Uiso 0.50 1 d PD
H4W H 0.087(12) 0.257(13) 0.110(9) 0.049 Uiso 0.50 1 d PD
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'
Cl Cl 0.1484 0.1585 '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
O3 Zn1 O1 116.47(15) . .
O3 Zn1 N6 94.80(16) . 1_655
O1 Zn1 N6 116.10(15) . 1_655
O3 Zn1 N3 108.87(16) . .
O1 Zn1 N3 108.90(15) . .
N6 Zn1 N3 110.98(16) 1_655 .
O5 Zn2 N12 120.62(18) . 2_666
O5 Zn2 N9 94.10(17) . .
N12 Zn2 N9 98.16(17) 2_666 .
O5 Zn2 Cl1 116.29(13) . .
N12 Zn2 Cl1 110.29(14) 2_666 .
N9 Zn2 Cl1 114.66(15) . .
C11 O1 Zn1 108.4(3) . .
C15 O3 Zn1 120.1(3) . .
C26 O5 Zn2 109.9(3) . .
H1W O7 H2W 124(10) . .
H3W O8 H4W 106(10) . .
C5 N1 N2 110.0(4) . .
C5 N1 C1 128.7(4) . .
N2 N1 C1 121.2(4) . .
C4 N2 N1 103.2(4) . .
C5 N3 C4 103.1(4) . .
C5 N3 Zn1 129.7(3) . .
C4 N3 Zn1 127.2(3) . .
C7 N4 N5 110.1(4) . .
C7 N4 C3 128.2(4) . .
N5 N4 C3 121.7(4) . .
C6 N5 N4 102.3(4) . .
C7 N6 C6 103.1(4) . .
C7 N6 Zn1 129.5(3) . 1_455
C6 N6 Zn1 127.4(3) . 1_455
C20 N7 N8 109.8(4) . .
C20 N7 C16 128.7(5) . .
N8 N7 C16 121.5(4) . .
C19 N8 N7 103.2(4) . .
C20 N9 C19 103.4(4) . .
C20 N9 Zn2 124.1(4) . .
C19 N9 Zn2 132.2(4) . .
C22 N10 N11 110.0(5) . .
C22 N10 C18 128.2(5) . .
N11 N10 C18 121.4(5) . .
C21 N11 N10 102.6(4) . .
C22 N12 C21 103.1(4) . .
C22 N12 Zn2 124.9(4) . 2_666
C21 N12 Zn2 131.2(4) . 2_666
N1 C1 C2 111.8(4) . .
N1 C1 H1A 109.3 . .
C2 C1 H1A 109.3 . .
N1 C1 H1B 109.3 . .
C2 C1 H1B 109.3 . .
H1A C1 H1B 107.9 . .
C1 C2 C3 115.5(5) . .
C1 C2 H2A 108.4 . .
C3 C2 H2A 108.4 . .
C1 C2 H2B 108.4 . .
C3 C2 H2B 108.4 . .
H2A C2 H2B 107.5 . .
N4 C3 C2 113.0(4) . .
N4 C3 H3A 109.0 . .
C2 C3 H3A 109.0 . .
N4 C3 H3B 109.0 . .
C2 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
N1 C5 N3 109.5(4) . .
N1 C5 H5A 125.3 . .
N3 C5 H5A 125.3 . .
N2 C4 N3 114.2(4) . .
N2 C4 H4A 122.9 . .
N3 C4 H4A 122.9 . .
N5 C6 N6 114.6(4) . .
N5 C6 H6A 122.7 . .
N6 C6 H6A 122.7 . .
N4 C7 N6 109.9(4) . .
N4 C7 H7A 125.0 . .
N6 C7 H7A 125.0 . .
C10 C8 C9 119.6(4) 2_665 .
C10 C8 C11 120.7(4) 2_665 .
C9 C8 C11 119.8(4) . .
C8 C9 C10 120.0(4) . .
C8 C9 H9A 120.0 . .
C10 C9 H9A 120.0 . .
C8 C10 C9 120.5(4) 2_665 .
C8 C10 H10A 119.8 2_665 .
C9 C10 H10A 119.8 . .
O2 C11 O1 123.5(4) . .
O2 C11 C8 120.6(4) . .
O1 C11 C8 115.9(4) . .
C13 C12 C14 119.4(4) . 2_656
C13 C12 C15 121.1(4) . .
C14 C12 C15 119.5(4) 2_656 .
C14 C13 C12 120.6(4) . .
C14 C13 H13A 119.7 . .
C12 C13 H13A 119.7 . .
C13 C14 C12 119.9(4) . 2_656
C13 C14 H14A 120.0 . .
C12 C14 H14A 120.0 2_656 .
O4 C15 O3 124.8(4) . .
O4 C15 C12 120.2(5) . .
O3 C15 C12 114.9(4) . .
N7 C16 C17 114.2(4) . .
N7 C16 H16A 108.7 . .
C17 C16 H16A 108.7 . .
N7 C16 H16B 108.7 . .
C17 C16 H16B 108.7 . .
H16A C16 H16B 107.6 . .
C18 C17 C16 115.9(5) . .
C18 C17 H17A 108.3 . .
C16 C17 H17A 108.3 . .
C18 C17 H17B 108.3 . .
C16 C17 H17B 108.3 . .
H17A C17 H17B 107.4 . .
N10 C18 C17 112.2(5) . .
N10 C18 H18A 109.2 . .
C17 C18 H18A 109.2 . .
N10 C18 H18B 109.2 . .
C17 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
N8 C19 N9 114.0(5) . .
N8 C19 H19A 123.0 . .
N9 C19 H19A 123.0 . .
N7 C20 N9 109.6(5) . .
N7 C20 H20A 125.2 . .
N9 C20 H20A 125.2 . .
N11 C21 N12 114.6(5) . .
N11 C21 H21A 122.7 . .
N12 C21 H21A 122.7 . .
N10 C22 N12 109.7(5) . .
N10 C22 H22A 125.1 . .
N12 C22 H22A 125.1 . .
C25 C23 C24 119.8(4) 2_756 .
C25 C23 C26 120.6(4) 2_756 .
C24 C23 C26 119.7(4) . .
C25 C24 C23 120.2(4) . .
C25 C24 H24A 119.9 . .
C23 C24 H24A 119.9 . .
C23 C25 C24 120.0(5) 2_756 .
C23 C25 H25A 120.0 2_756 .
C24 C25 H25A 120.0 . .
O6 C26 O5 123.4(5) . .
O6 C26 C23 120.7(5) . .
O5 C26 C23 115.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.949(3) .
Zn1 O1 1.953(3) .
Zn1 N6 2.026(4) 1_655
Zn1 N3 2.027(4) .
Zn2 O5 1.940(3) .
Zn2 N12 2.014(4) 2_666
Zn2 N9 2.057(4) .
Zn2 Cl1 2.2104(18) .
O1 C11 1.285(5) .
O2 C11 1.232(6) .
O3 C15 1.275(6) .
O4 C15 1.219(6) .
O5 C26 1.270(6) .
O6 C26 1.233(6) .
O7 H1W 0.84(2) .
O7 H2W 0.83(2) .
O8 H3W 0.85(2) .
O8 H4W 0.85(2) .
N1 C5 1.320(6) .
N1 N2 1.356(6) .
N1 C1 1.464(6) .
N2 C4 1.301(7) .
N3 C5 1.335(6) .
N3 C4 1.353(6) .
N4 C7 1.310(6) .
N4 N5 1.368(6) .
N4 C3 1.464(7) .
N5 C6 1.305(6) .
N6 C7 1.329(6) .
N6 C6 1.348(6) .
N6 Zn1 2.026(4) 1_455
N7 C20 1.322(7) .
N7 N8 1.373(6) .
N7 C16 1.452(7) .
N8 C19 1.311(7) .
N9 C20 1.345(7) .
N9 C19 1.358(7) .
N10 C22 1.325(7) .
N10 N11 1.353(6) .
N10 C18 1.465(7) .
N11 C21 1.312(7) .
N12 C22 1.327(7) .
N12 C21 1.346(7) .
N12 Zn2 2.014(4) 2_666
C1 C2 1.510(7) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.513(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C5 H5A 0.9300 .
C4 H4A 0.9300 .
C6 H6A 0.9300 .
C7 H7A 0.9300 .
C8 C10 1.371(6) 2_665
C8 C9 1.389(6) .
C8 C11 1.505(6) .
C9 C10 1.390(6) .
C9 H9A 0.9300 .
C10 C8 1.371(6) 2_665
C10 H10A 0.9300 .
C12 C13 1.387(6) .
C12 C14 1.390(6) 2_656
C12 C15 1.507(6) .
C13 C14 1.386(6) .
C13 H13A 0.9300 .
C14 C12 1.390(6) 2_656
C14 H14A 0.9300 .
C16 C17 1.510(8) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.497(8) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C25 1.380(7) 2_756
C23 C24 1.383(7) .
C23 C26 1.507(6) .
C24 C25 1.382(7) .
C24 H24A 0.9300 .
C25 C23 1.380(7) 2_756
C25 H25A 0.9300 .
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
O7 H1W O8 0.84(2) 2.25(10) 2.834(17) 127(10)
O8 H3W O7 0.85(2) 2.09(7) 2.834(17) 146(11)
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
O3 Zn1 O1 C11 167.0(3) . .
N6 Zn1 O1 C11 56.6(3) 1_655 .
N3 Zn1 O1 C11 -69.5(3) . .
O1 Zn1 O3 C15 77.3(4) . .
N6 Zn1 O3 C15 -160.3(4) 1_655 .
N3 Zn1 O3 C15 -46.2(4) . .
N12 Zn2 O5 C26 -55.6(4) 2_666 .
N9 Zn2 O5 C26 -157.6(3) . .
Cl1 Zn2 O5 C26 82.3(3) . .
C5 N1 N2 C4 0.3(5) . .
C1 N1 N2 C4 179.2(4) . .
O3 Zn1 N3 C5 36.4(4) . .
O1 Zn1 N3 C5 -91.6(4) . .
N6 Zn1 N3 C5 139.4(4) 1_655 .
O3 Zn1 N3 C4 -145.3(4) . .
O1 Zn1 N3 C4 86.8(4) . .
N6 Zn1 N3 C4 -42.2(4) 1_655 .
C7 N4 N5 C6 0.2(6) . .
C3 N4 N5 C6 179.6(5) . .
C20 N7 N8 C19 -0.5(6) . .
C16 N7 N8 C19 178.2(5) . .
O5 Zn2 N9 C20 4.3(5) . .
N12 Zn2 N9 C20 -117.4(4) 2_666 .
Cl1 Zn2 N9 C20 125.8(4) . .
O5 Zn2 N9 C19 176.3(5) . .
N12 Zn2 N9 C19 54.6(5) 2_666 .
Cl1 Zn2 N9 C19 -62.3(5) . .
C22 N10 N11 C21 -1.2(6) . .
C18 N10 N11 C21 172.5(5) . .
C5 N1 C1 C2 124.8(5) . .
N2 N1 C1 C2 -53.8(6) . .
N1 C1 C2 C3 -58.2(6) . .
C7 N4 C3 C2 -107.5(6) . .
N5 N4 C3 C2 73.3(6) . .
C1 C2 C3 N4 -75.3(6) . .
N2 N1 C5 N3 -0.6(5) . .
C1 N1 C5 N3 -179.4(4) . .
C4 N3 C5 N1 0.6(5) . .
Zn1 N3 C5 N1 179.2(3) . .
N1 N2 C4 N3 0.1(6) . .
C5 N3 C4 N2 -0.4(6) . .
Zn1 N3 C4 N2 -179.1(3) . .
N4 N5 C6 N6 -0.7(6) . .
C7 N6 C6 N5 0.8(6) . .
Zn1 N6 C6 N5 -179.8(3) 1_455 .
N5 N4 C7 N6 0.2(6) . .
C3 N4 C7 N6 -179.1(5) . .
C6 N6 C7 N4 -0.6(5) . .
Zn1 N6 C7 N4 -179.9(3) 1_455 .
C10 C8 C9 C10 0.1(8) 2_665 .
C11 C8 C9 C10 179.3(4) . .
C8 C9 C10 C8 -0.1(8) . 2_665
Zn1 O1 C11 O2 -3.3(6) . .
Zn1 O1 C11 C8 175.6(3) . .
C10 C8 C11 O2 158.1(5) 2_665 .
C9 C8 C11 O2 -21.1(7) . .
C10 C8 C11 O1 -20.9(6) 2_665 .
C9 C8 C11 O1 159.9(4) . .
C14 C12 C13 C14 -0.7(8) 2_656 .
C15 C12 C13 C14 -177.1(5) . .
C12 C13 C14 C12 0.7(8) . 2_656
Zn1 O3 C15 O4 -24.1(7) . .
Zn1 O3 C15 C12 153.8(3) . .
C13 C12 C15 O4 -178.7(5) . .
C14 C12 C15 O4 4.8(7) 2_656 .
C13 C12 C15 O3 3.3(7) . .
C14 C12 C15 O3 -173.1(4) 2_656 .
C20 N7 C16 C17 -114.1(6) . .
N8 N7 C16 C17 67.5(6) . .
N7 C16 C17 C18 -65.4(6) . .
C22 N10 C18 C17 102.3(7) . .
N11 N10 C18 C17 -70.1(6) . .
C16 C17 C18 N10 -55.1(7) . .
N7 N8 C19 N9 0.3(6) . .
C20 N9 C19 N8 -0.1(6) . .
Zn2 N9 C19 N8 -173.3(4) . .
N8 N7 C20 N9 0.5(6) . .
C16 N7 C20 N9 -178.1(5) . .
C19 N9 C20 N7 -0.2(6) . .
Zn2 N9 C20 N7 173.7(3) . .
N10 N11 C21 N12 0.9(7) . .
C22 N12 C21 N11 -0.3(7) . .
Zn2 N12 C21 N11 -169.6(4) 2_666 .
N11 N10 C22 N12 1.1(6) . .
C18 N10 C22 N12 -172.0(5) . .
C21 N12 C22 N10 -0.5(6) . .
Zn2 N12 C22 N10 169.7(3) 2_666 .
C25 C23 C24 C25 0.1(8) 2_756 .
C26 C23 C24 C25 179.0(4) . .
C23 C24 C25 C23 -0.1(8) . 2_756
Zn2 O5 C26 O6 -0.9(6) . .
Zn2 O5 C26 C23 178.5(3) . .
C25 C23 C26 O6 179.9(5) 2_756 .
C24 C23 C26 O6 1.0(7) . .
C25 C23 C26 O5 0.5(7) 2_756 .
C24 C23 C26 O5 -178.4(4) . .
