#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:58:04 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179908 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/04/7020405.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_7020405
loop_
_publ_author_name
'Sun, Gong-ming'
'Luo, Feng'
'Song, Yu-mei'
'Tian, Xiao-zhao'
'Huang, Hai-xiao'
'Zhu, Yan'
'Yuan, Zi-jun'
'Feng, Xue-feng'
'Luo, Ming-biao'
'Liu, Shu-juan'
'Xu, Wen-yuan'
_publ_section_title
;
 A self-catenated network containing unprecedented 0D + 2D → 2D
 polycatenation array.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11559
_journal_page_last               11561
_journal_paper_doi               10.1039/c2dt31457f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C33 H24 N4 O9 Zn2'
_chemical_formula_weight         751.30
_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                92.746(4)
_cell_angle_beta                 99.154(4)
_cell_angle_gamma                107.776(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9404(7)
_cell_length_b                   10.3755(7)
_cell_length_c                   15.5708(12)
_cell_measurement_reflns_used    9922
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.49
_cell_volume                     1501.80(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Demonstration Version 3.0'
_computing_publication_material
'Bruker SHELXTL,Demonstration Version 3.0, 3D MAX 2009'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21487
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    1.663
_exptl_absorpt_correction_T_max  0.5938
_exptl_absorpt_correction_T_min  0.5216
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.121
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         5301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0410
_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)+(0.0574P)²+1.8873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1182
_reflns_number_gt                4714
_reflns_number_total             5301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31457f.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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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               7020405
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
C1 C 0.6207(4) 0.4647(3) 0.6172(2) 0.0275(7) Uani 1 1 d .
H1 H 0.7200 0.5001 0.6231 0.033 Uiso 1 1 calc R
C2 C 0.5559(4) 0.3251(3) 0.6090(2) 0.0264(7) Uani 1 1 d .
C3 C 0.5401(4) 0.5528(3) 0.6168(2) 0.0269(7) Uani 1 1 d .
C4 C 0.4069(4) 0.2732(3) 0.5982(2) 0.0265(7) Uani 1 1 d .
H4 H 0.3620 0.1796 0.5923 0.032 Uiso 1 1 calc R
C5 C 0.6174(4) 0.7035(3) 0.6260(2) 0.0311(8) Uani 1 1 d .
C6 C 0.6430(4) 0.2284(3) 0.6088(2) 0.0286(7) Uani 1 1 d .
C7 C 0.3913(4) 0.5007(3) 0.6062(2) 0.0280(7) Uani 1 1 d .
H7 H 0.3366 0.5592 0.6059 0.034 Uiso 1 1 calc R
C8 C 0.3247(3) 0.3604(3) 0.5960(2) 0.0263(7) Uani 1 1 d .
C9 C 0.1649(4) 0.2994(4) 0.5802(2) 0.0320(8) Uani 1 1 d .
C10 C 0.6346(6) 0.7380(5) -0.1398(3) 0.0615(13) Uani 1 1 d .
H10 H 0.6112 0.7677 -0.1939 0.074 Uiso 1 1 calc R
C11 C 0.7012(4) 0.6408(4) 0.0212(2) 0.0367(8) Uani 1 1 d .
C12 C 0.7357(6) 0.6696(5) -0.1279(3) 0.0619(13) Uani 1 1 d .
H12 H 0.7806 0.6559 -0.1740 0.074 Uiso 1 1 calc R
C13 C 0.8387(5) 0.5204(4) 0.1255(2) 0.0413(9) Uani 1 1 d .
C14 C 0.6015(5) 0.7140(4) 0.0092(2) 0.0411(9) Uani 1 1 d .
C15 C 0.4482(5) 0.8352(5) 0.0731(3) 0.0475(10) Uani 1 1 d .
C16 C 0.7304(4) 0.5926(4) 0.1054(2) 0.0404(9) Uani 1 1 d .
C17 C 0.5352(5) 0.7393(4) 0.0793(3) 0.0443(9) Uani 1 1 d .
C18 C 0.9359(4) 0.3322(4) 0.3708(2) 0.0361(8) Uani 1 1 d .
H18 H 1.0114 0.3998 0.4059 0.043 Uiso 1 1 calc R
C19 C 0.7698(5) 0.6226(4) -0.0502(3) 0.0495(10) Uani 1 1 d .
H19 H 0.8385 0.5782 -0.0434 0.059 Uiso 1 1 calc R
C20 C 0.0131(5) 0.9058(4) 0.0919(3) 0.0487(10) Uani 1 1 d .
H20 H -0.0449 0.8846 0.0368 0.058 Uiso 1 1 calc R
C21 C 0.9118(4) 0.3416(4) 0.2821(3) 0.0409(9) Uani 1 1 d .
C22 C 0.7456(5) 0.1343(4) 0.3586(3) 0.0521(11) Uani 1 1 d .
H22 H 0.6876 0.0649 0.3847 0.063 Uiso 1 1 calc R
C23 C 0.1502(5) 0.8979(4) 0.1031(3) 0.0449(10) Uani 1 1 d .
C24 C 0.0509(5) 0.9790(5) 0.2431(3) 0.0511(11) Uani 1 1 d .
H24 H 0.0176 1.0085 0.2905 0.061 Uiso 1 1 calc R
C25 C 0.2137(6) 0.8654(6) 0.0263(3) 0.0555(12) Uani 1 1 d .
C26 C 0.9983(5) 0.4628(5) 0.2435(3) 0.0478(10) Uani 1 1 d .
C27 C 0.2318(5) 0.9308(4) 0.1865(3) 0.0439(9) Uani 1 1 d .
H27 H 0.3244 0.9248 0.1948 0.053 Uiso 1 1 calc R
C28 C 0.6555(5) 0.6119(5) 0.1684(3) 0.0530(11) Uani 1 1 d .
H28 H 0.6692 0.5748 0.2210 0.064 Uiso 1 1 calc R
C29 C 0.5593(5) 0.6855(5) 0.1564(3) 0.0564(12) Uani 1 1 d .
H29 H 0.5112 0.6981 0.2010 0.068 Uiso 1 1 calc R
C30 C 0.7161(6) 0.1353(5) 0.2693(3) 0.0649(14) Uani 1 1 d .
H30 H 0.6406 0.0664 0.2352 0.078 Uiso 1 1 calc R
C31 C 0.7993(5) 0.2390(5) 0.2318(3) 0.0570(12) Uani 1 1 d .
H31 H 0.7801 0.2409 0.1715 0.068 Uiso 1 1 calc R
C32 C -0.0385(5) 0.9453(5) 0.1627(3) 0.0589(12) Uani 1 1 d .
H32 H -0.1318 0.9490 0.1561 0.071 Uiso 1 1 calc R
C33 C 0.5698(5) 0.7619(4) -0.0731(3) 0.0508(11) Uani 1 1 d .
H33 H 0.5043 0.8098 -0.0813 0.061 Uiso 1 1 calc R
H1M H 0.147(5) 0.820(5) -0.016(3) 0.044(12) Uiso 1 1 d .
H2M H 0.269(6) 0.948(6) 0.005(4) 0.082(19) Uiso 1 1 d .
H3M H 0.277(5) 0.702(5) 0.028(3) 0.043(13) Uiso 1 1 d .
H4M H 1.036(5) 0.425(5) 0.194(3) 0.058(13) Uiso 1 1 d .
H5M H 1.078(6) 0.522(5) 0.282(3) 0.062(15) Uiso 1 1 d .
H6M H 0.893(4) 0.593(4) 0.242(3) 0.034(11) Uiso 1 1 d .
N1 N 0.8561(3) 0.2308(3) 0.4092(2) 0.0384(7) Uani 1 1 d .
N2 N 0.9111(4) 0.5440(4) 0.2080(2) 0.0451(8) Uani 1 1 d .
N3 N 0.3074(4) 0.7818(4) 0.0443(3) 0.0526(10) Uani 1 1 d .
N4 N 0.1850(4) 0.9707(3) 0.2554(2) 0.0394(7) Uani 1 1 d .
O1 O 0.7713(3) 0.2792(2) 0.59919(18) 0.0381(6) Uani 1 1 d .
O2 O 0.5823(3) 0.1073(2) 0.61895(19) 0.0397(6) Uani 1 1 d .
O3 O 0.7971(3) 0.0129(3) 0.53838(19) 0.0386(7) Uani 1 1 d .
O4 O 0.7496(3) 0.7448(3) 0.6401(2) 0.0496(7) Uani 1 1 d .
O5 O 0.5409(3) 0.7831(2) 0.61922(18) 0.0377(6) Uani 1 1 d .
O6 O 0.8617(4) 0.4434(3) 0.07143(18) 0.0524(8) Uani 1 1 d .
O7 O 0.1081(3) 0.1779(3) 0.5527(2) 0.0514(8) Uani 1 1 d .
O8 O 0.0875(3) 0.3692(3) 0.5956(2) 0.0544(8) Uani 1 1 d .
O9 O 0.5082(4) 0.9562(3) 0.0961(2) 0.0608(8) Uani 1 1 d .
Zn1 Zn 0.89794(4) 0.20244(4) 0.53801(3) 0.03110(14) Uani 1 1 d .
Zn2 Zn 0.68242(4) -0.03566(4) 0.62461(3) 0.03155(14) Uani 1 1 d .
H1W H 0.821(5) -0.035(4) 0.527(3) 0.028(13) 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'
O O 0.0106 0.0060 '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'
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
C2 C1 C3 121.2(3) . .
C2 C1 H1 119.4 . .
C3 C1 H1 119.4 . .
C1 C2 C4 118.9(3) . .
C1 C2 C6 121.5(3) . .
C4 C2 C6 119.6(3) . .
C1 C3 C7 119.8(3) . .
C1 C3 C5 118.4(3) . .
C7 C3 C5 121.8(3) . .
C8 C4 C2 120.5(3) . .
C8 C4 H4 119.8 . .
C2 C4 H4 119.8 . .
O4 C5 O5 123.0(3) . .
O4 C5 C3 119.4(3) . .
O5 C5 C3 117.6(3) . .
O4 C5 Zn2 75.6(2) . 1_565
O5 C5 Zn2 47.55(16) . 1_565
C3 C5 Zn2 164.6(3) . 1_565
O2 C6 O1 126.2(3) . .
O2 C6 C2 117.5(3) . .
O1 C6 C2 116.2(3) . .
C3 C7 C8 119.5(3) . .
C3 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C4 C8 C7 120.1(3) . .
C4 C8 C9 118.3(3) . .
C7 C8 C9 121.6(3) . .
O7 C9 O8 119.3(3) . .
O7 C9 C8 119.9(3) . .
O8 C9 C8 120.8(3) . .
O7 C9 Zn1 59.81(19) . 1_455
O8 C9 Zn1 59.9(2) . 1_455
C8 C9 Zn1 174.2(2) . 1_455
C33 C10 C12 120.6(4) . .
C33 C10 H10 119.7 . .
C12 C10 H10 119.7 . .
C14 C11 C19 117.8(3) . .
C14 C11 C16 118.3(3) . .
C19 C11 C16 124.0(4) . .
C19 C12 C10 121.0(4) . .
C19 C12 H12 119.5 . .
C10 C12 H12 119.5 . .
O6 C13 N2 120.9(4) . .
O6 C13 C16 123.5(4) . .
N2 C13 C16 115.6(4) . .
C17 C14 C11 119.7(3) . .
C17 C14 C33 120.7(4) . .
C11 C14 C33 119.6(4) . .
O9 C15 N3 123.4(4) . .
O9 C15 C17 119.3(4) . .
N3 C15 C17 117.3(4) . .
C28 C16 C11 119.1(4) . .
C28 C16 C13 118.8(3) . .
C11 C16 C13 122.1(3) . .
C29 C17 C14 120.2(4) . .
C29 C17 C15 118.8(4) . .
C14 C17 C15 120.7(4) . .
N1 C18 C21 123.4(4) . .
N1 C18 H18 118.3 . .
C21 C18 H18 118.3 . .
C12 C19 C11 120.6(4) . .
C12 C19 H19 119.7 . .
C11 C19 H19 119.7 . .
C23 C20 C32 119.9(4) . .
C23 C20 H20 120.0 . .
C32 C20 H20 120.0 . .
C18 C21 C31 116.9(4) . .
C18 C21 C26 121.0(4) . .
C31 C21 C26 122.0(4) . .
N1 C22 C30 121.8(4) . .
N1 C22 H22 119.1 . .
C30 C22 H22 119.1 . .
C20 C23 C27 117.6(4) . .
C20 C23 C25 121.3(4) . .
C27 C23 C25 120.9(4) . .
N4 C24 C32 122.1(4) . .
N4 C24 H24 118.9 . .
C32 C24 H24 118.9 . .
N3 C25 C23 114.4(4) . .
N3 C25 H1M 105(3) . .
C23 C25 H1M 111(3) . .
N3 C25 H2M 107(3) . .
C23 C25 H2M 111(3) . .
H1M C25 H2M 108(5) . .
N2 C26 C21 111.7(4) . .
N2 C26 H4M 109(3) . .
C21 C26 H4M 107(3) . .
N2 C26 H5M 107(3) . .
C21 C26 H5M 115(3) . .
H4M C26 H5M 108(4) . .
N4 C27 C23 123.5(4) . .
N4 C27 H27 118.2 . .
C23 C27 H27 118.2 . .
C16 C28 C29 122.0(4) . .
C16 C28 H28 119.0 . .
C29 C28 H28 119.0 . .
C17 C29 C28 120.3(4) . .
C17 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C31 C30 C22 118.8(4) . .
C31 C30 H30 120.6 . .
C22 C30 H30 120.6 . .
C30 C31 C21 120.8(4) . .
C30 C31 H31 119.6 . .
C21 C31 H31 119.6 . .
C24 C32 C20 118.7(4) . .
C24 C32 H32 120.6 . .
C20 C32 H32 120.6 . .
C10 C33 C14 120.3(4) . .
C10 C33 H33 119.8 . .
C14 C33 H33 119.8 . .
C18 N1 C22 118.2(4) . .
C18 N1 Zn1 125.0(3) . .
C22 N1 Zn1 116.6(3) . .
C13 N2 C26 122.8(4) . .
C13 N2 H6M 119(3) . .
C26 N2 H6M 117(3) . .
C15 N3 C25 122.5(4) . .
C15 N3 H3M 117(3) . .
C25 N3 H3M 119(3) . .
C27 N4 C24 118.1(4) . .
C27 N4 Zn2 121.7(3) . 2_666
C24 N4 Zn2 119.9(3) . 2_666
C6 O1 Zn1 131.5(2) . .
C6 O2 Zn2 123.4(2) . .
Zn2 O3 Zn1 117.08(15) . .
Zn2 O3 H1W 112(4) . .
Zn1 O3 H1W 124(4) . .
C5 O5 Zn2 103.7(2) . 1_565
C9 O7 Zn1 90.5(2) . 1_455
C9 O8 Zn1 90.1(2) . 1_455
O3 Zn1 O1 98.46(11) . .
O3 Zn1 N1 102.45(13) . .
O1 Zn1 N1 107.24(12) . .
O3 Zn1 O7 94.99(12) . 1_655
O1 Zn1 O7 143.46(12) . 1_655
N1 Zn1 O7 102.71(13) . 1_655
O3 Zn1 O8 145.20(13) . 1_655
O1 Zn1 O8 92.02(10) . 1_655
N1 Zn1 O8 105.93(13) . 1_655
O7 Zn1 O8 59.49(10) 1_655 1_655
O3 Zn1 C9 122.49(12) . 1_655
O1 Zn1 C9 120.03(11) . 1_655
N1 Zn1 C9 104.31(12) . 1_655
O7 Zn1 C9 29.68(11) 1_655 1_655
O8 Zn1 C9 29.97(11) 1_655 1_655
O3 Zn2 O5 122.18(12) . 1_545
O3 Zn2 O2 101.05(12) . .
O5 Zn2 O2 109.91(10) 1_545 .
O3 Zn2 N4 107.43(13) . 2_666
O5 Zn2 N4 113.73(12) 1_545 2_666
O2 Zn2 N4 99.47(12) . 2_666
O3 Zn2 C5 106.76(12) . 1_545
O5 Zn2 C5 28.75(11) 1_545 1_545
O2 Zn2 C5 138.64(11) . 1_545
N4 Zn2 C5 100.65(12) 2_666 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.384(5) .
C1 C3 1.387(5) .
C1 H1 0.9300 .
C2 C4 1.392(5) .
C2 C6 1.512(4) .
C3 C7 1.390(5) .
C3 C5 1.506(5) .
C4 C8 1.390(4) .
C4 H4 0.9300 .
C5 O4 1.230(5) .
C5 O5 1.280(4) .
C5 Zn2 2.585(3) 1_565
C6 O2 1.247(4) .
C6 O1 1.259(4) .
C7 C8 1.392(5) .
C7 H7 0.9300 .
C8 C9 1.494(5) .
C9 O7 1.236(5) .
C9 O8 1.247(4) .
C9 Zn1 2.497(4) 1_455
C10 C33 1.357(6) .
C10 C12 1.391(7) .
C10 H10 0.9300 .
C11 C14 1.418(6) .
C11 C19 1.427(5) .
C11 C16 1.444(5) .
C12 C19 1.359(6) .
C12 H12 0.9300 .
C13 O6 1.228(5) .
C13 N2 1.340(5) .
C13 C16 1.492(6) .
C14 C17 1.415(6) .
C14 C33 1.419(6) .
C15 O9 1.221(5) .
C15 N3 1.331(6) .
C15 C17 1.502(6) .
C16 C28 1.364(6) .
C17 C29 1.365(6) .
C18 N1 1.340(5) .
C18 C21 1.377(5) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 C23 1.373(6) .
C20 C32 1.382(6) .
C20 H20 0.9300 .
C21 C31 1.383(6) .
C21 C26 1.504(6) .
C22 N1 1.345(5) .
C22 C30 1.375(7) .
C22 H22 0.9300 .
C23 C27 1.383(6) .
C23 C25 1.508(6) .
C24 N4 1.346(5) .
C24 C32 1.376(6) .
C24 H24 0.9300 .
C25 N3 1.461(6) .
C25 H1M 0.86(5) .
C25 H2M 0.97(6) .
C26 N2 1.450(5) .
C26 H4M 1.02(5) .
C26 H5M 0.94(5) .
C27 N4 1.332(5) .
C27 H27 0.9300 .
C28 C29 1.391(6) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.362(7) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 H33 0.9300 .
N1 Zn1 2.036(3) .
N2 H6M 0.80(4) .
N3 H3M 0.80(5) .
N4 Zn2 2.058(3) 2_666
O1 Zn1 2.011(2) .
O2 Zn2 2.020(2) .
O3 Zn2 1.886(3) .
O3 Zn1 1.916(3) .
O3 H1W 0.64(4) .
O5 Zn2 1.964(3) 1_565
O7 Zn1 2.159(3) 1_455
O8 Zn1 2.161(3) 1_455
Zn1 O7 2.159(3) 1_655
Zn1 O8 2.161(3) 1_655
Zn1 C9 2.497(4) 1_655
Zn2 O5 1.964(3) 1_545
Zn2 N4 2.058(3) 2_666
Zn2 C5 2.585(3) 1_545
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_4
C3 C1 C2 C4 1.5(5) .
C3 C1 C2 C6 179.6(3) .
C2 C1 C3 C7 -1.4(5) .
C2 C1 C3 C5 180.0(3) .
C1 C2 C4 C8 -0.3(5) .
C6 C2 C4 C8 -178.4(3) .
C1 C3 C5 O4 -5.4(5) .
C7 C3 C5 O4 176.0(3) .
C1 C3 C5 O5 175.0(3) .
C7 C3 C5 O5 -3.6(5) .
C1 C3 C5 Zn2 161.2(8) 1_565
C7 C3 C5 Zn2 -17.4(11) 1_565
C1 C2 C6 O2 165.8(3) .
C4 C2 C6 O2 -16.0(5) .
C1 C2 C6 O1 -13.5(5) .
C4 C2 C6 O1 164.7(3) .
C1 C3 C7 C8 0.0(5) .
C5 C3 C7 C8 178.6(3) .
C2 C4 C8 C7 -1.1(5) .
C2 C4 C8 C9 177.2(3) .
C3 C7 C8 C4 1.2(5) .
C3 C7 C8 C9 -177.0(3) .
C4 C8 C9 O7 -14.1(5) .
C7 C8 C9 O7 164.2(3) .
C4 C8 C9 O8 164.8(3) .
C7 C8 C9 O8 -16.9(5) .
C4 C8 C9 Zn1 -100(2) 1_455
C7 C8 C9 Zn1 78(3) 1_455
C33 C10 C12 C19 1.4(9) .
C19 C11 C14 C17 -177.5(4) .
C16 C11 C14 C17 0.7(6) .
C19 C11 C14 C33 2.2(6) .
C16 C11 C14 C33 -179.6(4) .
C14 C11 C16 C28 3.8(6) .
C19 C11 C16 C28 -178.1(4) .
C14 C11 C16 C13 -177.0(4) .
C19 C11 C16 C13 1.0(6) .
O6 C13 C16 C28 144.5(5) .
N2 C13 C16 C28 -35.2(6) .
O6 C13 C16 C11 -34.7(6) .
N2 C13 C16 C11 145.7(4) .
C11 C14 C17 C29 -4.5(7) .
C33 C14 C17 C29 175.8(4) .
C11 C14 C17 C15 170.0(4) .
C33 C14 C17 C15 -9.7(6) .
O9 C15 C17 C29 86.2(6) .
N3 C15 C17 C29 -92.3(5) .
O9 C15 C17 C14 -88.4(5) .
N3 C15 C17 C14 93.2(5) .
C10 C12 C19 C11 0.8(8) .
C14 C11 C19 C12 -2.6(7) .
C16 C11 C19 C12 179.3(4) .
N1 C18 C21 C31 -0.4(6) .
N1 C18 C21 C26 175.7(4) .
C32 C20 C23 C27 -0.1(7) .
C32 C20 C23 C25 -175.3(5) .
C20 C23 C25 N3 -144.0(5) .
C27 C23 C25 N3 40.9(7) .
C18 C21 C26 N2 -112.4(4) .
C31 C21 C26 N2 63.6(6) .
C20 C23 C27 N4 -0.7(7) .
C25 C23 C27 N4 174.5(4) .
C11 C16 C28 C29 -4.8(7) .
C13 C16 C28 C29 176.0(4) .
C14 C17 C29 C28 3.7(7) .
C15 C17 C29 C28 -170.9(5) .
C16 C28 C29 C17 1.1(8) .
N1 C22 C30 C31 -1.6(8) .
C22 C30 C31 C21 0.1(8) .
C18 C21 C31 C30 0.8(7) .
C26 C21 C31 C30 -175.3(5) .
N4 C24 C32 C20 -2.1(8) .
C23 C20 C32 C24 1.5(7) .
C12 C10 C33 C14 -1.7(8) .
C17 C14 C33 C10 179.6(5) .
C11 C14 C33 C10 -0.1(7) .
C21 C18 N1 C22 -1.0(6) .
C21 C18 N1 Zn1 174.1(3) .
C30 C22 N1 C18 2.0(7) .
C30 C22 N1 Zn1 -173.4(4) .
O6 C13 N2 C26 -12.4(7) .
C16 C13 N2 C26 167.3(4) .
C21 C26 N2 C13 -88.6(5) .
O9 C15 N3 C25 8.5(7) .
C17 C15 N3 C25 -173.1(4) .
C23 C25 N3 C15 -90.5(6) .
C23 C27 N4 C24 0.1(6) .
C23 C27 N4 Zn2 -174.1(3) 2_666
C32 C24 N4 C27 1.3(7) .
C32 C24 N4 Zn2 175.7(4) 2_666
O2 C6 O1 Zn1 35.4(5) .
C2 C6 O1 Zn1 -145.4(3) .
O1 C6 O2 Zn2 1.3(5) .
C2 C6 O2 Zn2 -177.9(2) .
O4 C5 O5 Zn2 5.4(4) 1_565
C3 C5 O5 Zn2 -175.1(2) 1_565
O8 C9 O7 Zn1 7.7(4) 1_455
C8 C9 O7 Zn1 -173.3(3) 1_455
O7 C9 O8 Zn1 -7.7(4) 1_455
C8 C9 O8 Zn1 173.3(3) 1_455
Zn2 O3 Zn1 O1 -23.53(19) .
Zn2 O3 Zn1 N1 -133.39(17) .
Zn2 O3 Zn1 O7 122.40(18) 1_655
Zn2 O3 Zn1 O8 82.5(3) 1_655
Zn2 O3 Zn1 C9 110.46(17) 1_655
C6 O1 Zn1 O3 -21.5(3) .
C6 O1 Zn1 N1 84.5(3) .
C6 O1 Zn1 O7 -131.9(3) 1_655
C6 O1 Zn1 O8 -168.2(3) 1_655
C6 O1 Zn1 C9 -157.0(3) 1_655
C18 N1 Zn1 O3 -158.1(3) .
C22 N1 Zn1 O3 17.1(3) .
C18 N1 Zn1 O1 98.9(3) .
C22 N1 Zn1 O1 -86.0(3) .
C18 N1 Zn1 O7 -60.0(3) 1_655
C22 N1 Zn1 O7 115.2(3) 1_655
C18 N1 Zn1 O8 1.6(3) 1_655
C22 N1 Zn1 O8 176.7(3) 1_655
C18 N1 Zn1 C9 -29.5(3) 1_655
C22 N1 Zn1 C9 145.7(3) 1_655
Zn1 O3 Zn2 O5 166.48(13) 1_545
Zn1 O3 Zn2 O2 44.29(19) .
Zn1 O3 Zn2 N4 -59.42(19) 2_666
Zn1 O3 Zn2 C5 -166.69(15) 1_545
C6 O2 Zn2 O3 -39.2(3) .
C6 O2 Zn2 O5 -169.6(3) 1_545
C6 O2 Zn2 N4 70.8(3) 2_666
C6 O2 Zn2 C5 -171.0(3) 1_545
