#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:54:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180404 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/73/7207399.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_7207399
loop_
_publ_author_name
'Su, Shengqun'
'Chen, Wan'
'Song, Xuezhi'
'Zhu, Min'
'Qin, Chao'
'Song, Shuyan'
'Guo, Zhiyong'
'Wang, Song'
'Hao, Zhaoming'
'Li, Guanghua'
'Zhang, Hongjie'
_publ_section_title
;
 Three unprecedented open frameworks based on a pyridyl-carboxylate:
 synthesis, structures and properties
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1681
_journal_paper_doi               10.1039/c2ce05948g
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C39 H36 N8 O9 Zn2'
_chemical_formula_sum            'C39 H36 N8 O9 Zn2'
_chemical_formula_weight         891.50
_chemical_melting_point          ?
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.6630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.1802(4)
_cell_length_b                   29.4218(18)
_cell_length_c                   23.3127(14)
_cell_measurement_reflns_used    8320
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.89
_cell_volume                     4218.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0819
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23187
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.199
_exptl_absorpt_correction_T_max  0.8501
_exptl_absorpt_correction_T_min  0.7458
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.072
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         8320
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0630
_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)+(0.1101P)²+7.2052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.2100
_reflns_number_gt                5599
_reflns_number_total             8320
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce05948g.txt
_cod_data_source_block           m1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7207399
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.47547(11) 0.07625(2) 0.26923(3) 0.0218(2) Uani 1 1 d .
Zn2 Zn 0.47972(11) -0.03910(2) 0.25274(3) 0.0215(2) Uani 1 1 d .
C1 C 0.6064(10) 0.1611(2) 0.2654(2) 0.0253(13) Uani 1 1 d .
C2 C 0.7426(10) 0.2024(2) 0.2600(3) 0.0280(13) Uani 1 1 d .
C3 C 0.6671(11) 0.2451(2) 0.2750(3) 0.0364(16) Uani 1 1 d .
H3A H 0.5296 0.2467 0.2899 0.044 Uiso 1 1 calc R
C4 C 0.9659(10) 0.2807(2) 0.2479(3) 0.0289(14) Uani 1 1 d .
C5 C 1.0549(11) 0.2405(2) 0.2325(3) 0.0356(16) Uani 1 1 d .
H5A H 1.1920 0.2400 0.2173 0.043 Uiso 1 1 calc R
C6 C 0.9427(10) 0.2009(2) 0.2393(3) 0.0337(15) Uani 1 1 d .
H6A H 1.0035 0.1726 0.2298 0.040 Uiso 1 1 calc R
C7 C 1.0799(10) 0.3248(2) 0.2428(3) 0.0293(14) Uani 1 1 d .
C8 C 1.0092(10) 0.3648(2) 0.2680(3) 0.0304(14) Uani 1 1 d .
H8A H 0.8778 0.3647 0.2859 0.036 Uiso 1 1 calc R
C9 C 1.1301(9) 0.40415(19) 0.2667(2) 0.0244(12) Uani 1 1 d .
H9A H 1.0816 0.4306 0.2850 0.029 Uiso 1 1 calc R
C10 C 1.3755(11) 0.3690(2) 0.2134(3) 0.0313(14) Uani 1 1 d .
H10A H 1.5006 0.3708 0.1929 0.038 Uiso 1 1 calc R
C11 C 1.2679(10) 0.3282(2) 0.2135(3) 0.0340(15) Uani 1 1 d .
H11A H 1.3196 0.3026 0.1941 0.041 Uiso 1 1 calc R
C12 C 0.1563(9) -0.03650(19) 0.3319(2) 0.0227(12) Uani 1 1 d .
C13 C 0.0769(9) -0.04929(19) 0.3887(2) 0.0244(13) Uani 1 1 d .
C14 C -0.1295(10) -0.0370(2) 0.4013(2) 0.0297(14) Uani 1 1 d .
H14A H -0.2233 -0.0229 0.3718 0.036 Uiso 1 1 calc R
C15 C -0.0731(10) -0.0653(2) 0.4930(2) 0.0251(13) Uani 1 1 d .
C16 C 0.1295(10) -0.0815(2) 0.4826(3) 0.0345(15) Uani 1 1 d .
H16A H 0.2149 -0.0984 0.5112 0.041 Uiso 1 1 calc R
C17 C 0.2055(10) -0.0728(2) 0.4303(3) 0.0346(15) Uani 1 1 d .
H17A H 0.3460 -0.0829 0.4228 0.042 Uiso 1 1 calc R
C18 C -0.1610(9) -0.0701(2) 0.5500(2) 0.0260(13) Uani 1 1 d .
C19 C -0.3588(10) -0.0508(2) 0.5592(2) 0.0296(14) Uani 1 1 d .
H19A H -0.4401 -0.0351 0.5286 0.036 Uiso 1 1 calc R
C20 C -0.4386(10) -0.0540(2) 0.6114(2) 0.0283(13) Uani 1 1 d .
H20A H -0.5731 -0.0397 0.6165 0.034 Uiso 1 1 calc R
C21 C -0.1463(10) -0.0956(2) 0.6474(3) 0.0288(14) Uani 1 1 d .
H21A H -0.0712 -0.1119 0.6784 0.035 Uiso 1 1 calc R
C22 C -0.0533(10) -0.0932(2) 0.5959(2) 0.0293(14) Uani 1 1 d .
H22A H 0.0831 -0.1072 0.5922 0.035 Uiso 1 1 calc R
C23 C 0.3992(10) -0.0422(2) 0.1386(2) 0.0256(13) Uani 1 1 d .
C24 C 0.2820(10) -0.0493(2) 0.0795(3) 0.0301(14) Uani 1 1 d .
C25 C 0.0657(11) -0.0590(2) 0.0699(3) 0.0391(16) Uani 1 1 d .
H25A H -0.0162 -0.0608 0.1022 0.047 Uiso 1 1 calc R
C26 C 0.0772(10) -0.0620(2) -0.0285(3) 0.0315(14) Uani 1 1 d .
C27 C 0.2923(12) -0.0539(4) -0.0220(3) 0.070(3) Uani 1 1 d .
H27A H 0.3721 -0.0525 -0.0547 0.084 Uiso 1 1 calc R
C28 C 0.3954(13) -0.0476(4) 0.0320(3) 0.074(3) Uani 1 1 d .
H28A H 0.5475 -0.0420 0.0366 0.089 Uiso 1 1 calc R
C29 C -0.0410(10) -0.0676(2) -0.0867(3) 0.0279(14) Uani 1 1 d .
C30 C -0.2383(12) -0.0910(3) -0.0939(3) 0.0453(19) Uani 1 1 d .
H30A H -0.2961 -0.1049 -0.0619 0.054 Uiso 1 1 calc R
C31 C -0.3468(12) -0.0937(3) -0.1478(3) 0.0435(18) Uani 1 1 d .
H31A H -0.4819 -0.1093 -0.1520 0.052 Uiso 1 1 calc R
C32 C -0.0840(10) -0.0538(2) -0.1876(3) 0.0314(14) Uani 1 1 d .
H32A H -0.0288 -0.0407 -0.2204 0.038 Uiso 1 1 calc R
C33 C 0.0345(10) -0.0496(2) -0.1353(3) 0.0319(14) Uani 1 1 d .
H33A H 0.1698 -0.0340 -0.1325 0.038 Uiso 1 1 calc R
C34 C 0.718(2) 0.6885(5) -0.0016(5) 0.121(5) Uani 1 1 d .
H34A H 0.5820 0.6758 -0.0201 0.182 Uiso 1 1 calc R
H34B H 0.8370 0.6671 -0.0054 0.182 Uiso 1 1 calc R
H34C H 0.7495 0.7173 -0.0203 0.182 Uiso 1 1 calc R
C35 C 0.8755(18) 0.7165(4) 0.0952(6) 0.101(4) Uani 1 1 d U
H35A H 0.8395 0.7196 0.1350 0.151 Uiso 1 1 calc R
H35B H 0.9070 0.7465 0.0799 0.151 Uiso 1 1 calc R
H35C H 1.0033 0.6969 0.0943 0.151 Uiso 1 1 calc R
C36 C 0.5230(14) 0.6820(3) 0.0837(4) 0.054(2) Uani 1 1 d .
H36A H 0.5239 0.6843 0.1244 0.065 Uiso 1 1 calc R
C37 C 0.744(4) 0.3214(8) 0.4215(10) 0.088(6) Uani 0.50 1 d PU
H37A H 0.7832 0.3195 0.3832 0.106 Uiso 0.50 1 calc PR
C38 C 0.407(4) 0.3303(6) 0.4789(7) 0.077(6) Uani 0.50 1 d P
H38A H 0.2512 0.3348 0.4680 0.116 Uiso 0.50 1 calc PR
H38B H 0.4644 0.3560 0.5025 0.116 Uiso 0.50 1 calc PR
H38C H 0.4291 0.3021 0.5010 0.116 Uiso 0.50 1 calc PR
C39 C 0.421(3) 0.3380(6) 0.3761(7) 0.067(5) Uani 0.50 1 d P
H39A H 0.5152 0.3349 0.3448 0.101 Uiso 0.50 1 calc PR
H39B H 0.3716 0.3696 0.3780 0.101 Uiso 0.50 1 calc PR
H39C H 0.2953 0.3179 0.3688 0.101 Uiso 0.50 1 calc PR
C40 C 0.5690(19) 0.2746(4) 0.6173(4) 0.027(3) Uani 0.50 1 d PD
H40 H 0.5412 0.3063 0.6195 0.080 Uiso 0.50 1 calc PR
C41 C 0.817(3) 0.2179(7) 0.5926(6) 0.062(4) Uani 0.50 1 d PU
H41A H 0.6938 0.1990 0.6012 0.092 Uiso 0.50 1 calc PR
H41B H 0.9445 0.2104 0.6193 0.092 Uiso 0.50 1 calc PR
H41C H 0.8495 0.2122 0.5529 0.092 Uiso 0.50 1 calc PR
C42 C 0.926(4) 0.2968(9) 0.5856(10) 0.098(7) Uani 0.50 1 d PU
H42A H 0.8678 0.3273 0.5909 0.148 Uiso 0.50 1 calc PR
H42B H 0.9595 0.2932 0.5456 0.148 Uiso 0.50 1 calc PR
H42C H 1.0596 0.2927 0.6116 0.148 Uiso 0.50 1 calc PR
N1 N 0.7746(9) 0.28310(17) 0.2699(3) 0.0360(13) Uani 1 1 d .
N2 N 1.3147(8) 0.40632(16) 0.2404(2) 0.0255(11) Uani 1 1 d .
N3 N -0.2045(8) -0.04394(19) 0.4523(2) 0.0341(13) Uani 1 1 d .
N4 N -0.3353(8) -0.07642(15) 0.6558(2) 0.0230(10) Uani 1 1 d .
N5 N -0.0375(9) -0.0661(2) 0.0176(2) 0.0465(16) Uani 1 1 d .
N6 N -0.2745(8) -0.07576(16) -0.1948(2) 0.0244(11) Uani 1 1 d .
N7 N 0.6958(11) 0.6968(2) 0.0608(3) 0.0581(18) Uani 1 1 d .
N8 N 0.5275(19) 0.3273(3) 0.4237(5) 0.035(3) Uani 0.50 1 d P
N9 N 0.7653(17) 0.2628(5) 0.5987(5) 0.046(3) Uani 0.50 1 d P
O1 O 0.6994(7) 0.12280(13) 0.26040(17) 0.0286(9) Uani 1 1 d .
O2 O 0.4123(7) 0.16504(15) 0.2740(2) 0.0383(11) Uani 1 1 d .
O3 O 0.0550(7) -0.00788(14) 0.30111(17) 0.0291(10) Uani 1 1 d .
O4 O 0.3284(7) -0.05667(14) 0.32013(16) 0.0280(9) Uani 1 1 d .
O5 O 0.2864(7) -0.04812(14) 0.18145(16) 0.0286(10) Uani 1 1 d .
O6 O 0.5928(7) -0.03185(17) 0.14310(19) 0.0411(12) Uani 1 1 d .
O7 O 0.6171(8) 0.01800(14) 0.2715(2) 0.0270(10) Uani 1 1 d .
H7 H 0.723(14) 0.022(3) 0.284(4) 0.06(3) Uiso 1 1 d .
O8 O 0.3621(11) 0.6656(2) 0.0573(3) 0.089(2) Uani 1 1 d .
O9 O 0.903(3) 0.3179(7) 0.4587(8) 0.131(7) Uani 0.50 1 d P
O10 O 0.4353(12) 0.2513(3) 0.6304(3) 0.0230(17) Uani 0.50 1 d PDU
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
O7 Zn1 O1 107.42(19) . .
O7 Zn1 N4 102.20(19) . 3_556
O1 Zn1 N4 116.91(18) . 3_556
O7 Zn1 N6 104.77(19) . 3
O1 Zn1 N6 106.97(18) . 3
N4 Zn1 N6 117.36(19) 3_556 3
O7 Zn2 O5 122.01(19) . .
O7 Zn2 O4 106.43(18) . .
O5 Zn2 O4 109.95(17) . .
O7 Zn2 N2 114.4(2) . 2_745
O5 Zn2 N2 106.31(18) . 2_745
O4 Zn2 N2 94.13(18) . 2_745
O2 C1 O1 123.3(5) . .
O2 C1 C2 120.1(5) . .
O1 C1 C2 116.7(5) . .
C6 C2 C3 116.8(6) . .
C6 C2 C1 122.7(6) . .
C3 C2 C1 120.4(6) . .
N1 C3 C2 124.0(6) . .
N1 C3 H3A 118.0 . .
C2 C3 H3A 118.0 . .
N1 C4 C5 122.6(6) . .
N1 C4 C7 115.5(5) . .
C5 C4 C7 121.9(6) . .
C4 C5 C6 118.9(6) . .
C4 C5 H5A 120.6 . .
C6 C5 H5A 120.6 . .
C2 C6 C5 119.9(6) . .
C2 C6 H6A 120.1 . .
C5 C6 H6A 120.1 . .
C8 C7 C11 116.6(5) . .
C8 C7 C4 121.9(6) . .
C11 C7 C4 121.5(5) . .
C9 C8 C7 120.2(5) . .
C9 C8 H8A 119.9 . .
C7 C8 H8A 119.9 . .
N2 C9 C8 122.2(5) . .
N2 C9 H9A 118.9 . .
C8 C9 H9A 118.9 . .
N2 C10 C11 123.9(6) . .
N2 C10 H10A 118.0 . .
C11 C10 H10A 118.0 . .
C10 C11 C7 119.2(6) . .
C10 C11 H11A 120.4 . .
C7 C11 H11A 120.4 . .
O3 C12 O4 125.4(5) . .
O3 C12 C13 119.4(5) . .
O4 C12 C13 115.2(5) . .
C17 C13 C14 117.5(5) . .
C17 C13 C12 121.9(5) . .
C14 C13 C12 120.6(5) . .
N3 C14 C13 123.9(6) . .
N3 C14 H14A 118.1 . .
C13 C14 H14A 118.1 . .
N3 C15 C16 122.2(5) . .
N3 C15 C18 115.2(5) . .
C16 C15 C18 122.6(5) . .
C17 C16 C15 119.1(6) . .
C17 C16 H16A 120.5 . .
C15 C16 H16A 120.5 . .
C16 C17 C13 119.6(6) . .
C16 C17 H17A 120.2 . .
C13 C17 H17A 120.2 . .
C22 C18 C19 116.7(5) . .
C22 C18 C15 123.1(5) . .
C19 C18 C15 120.2(5) . .
C20 C19 C18 120.8(6) . .
C20 C19 H19A 119.6 . .
C18 C19 H19A 119.6 . .
N4 C20 C19 122.6(6) . .
N4 C20 H20A 118.7 . .
C19 C20 H20A 118.7 . .
N4 C21 C22 123.5(6) . .
N4 C21 H21A 118.2 . .
C22 C21 H21A 118.2 . .
C18 C22 C21 119.2(6) . .
C18 C22 H22A 120.4 . .
C21 C22 H22A 120.4 . .
O6 C23 O5 124.5(5) . .
O6 C23 C24 119.2(5) . .
O5 C23 C24 116.3(5) . .
C25 C24 C28 116.5(6) . .
C25 C24 C23 123.7(6) . .
C28 C24 C23 119.7(6) . .
N5 C25 C24 123.7(6) . .
N5 C25 H25A 118.1 . .
C24 C25 H25A 118.1 . .
C27 C26 N5 121.2(6) . .
C27 C26 C29 121.0(6) . .
N5 C26 C29 117.9(6) . .
C26 C27 C28 119.6(7) . .
C26 C27 H27A 120.2 . .
C28 C27 H27A 120.2 . .
C27 C28 C24 120.7(7) . .
C27 C28 H28A 119.7 . .
C24 C28 H28A 119.7 . .
C33 C29 C30 117.1(6) . .
C33 C29 C26 122.3(6) . .
C30 C29 C26 120.6(5) . .
C31 C30 C29 118.8(6) . .
C31 C30 H30A 120.6 . .
C29 C30 H30A 120.6 . .
N6 C31 C30 124.0(6) . .
N6 C31 H31A 118.0 . .
C30 C31 H31A 118.0 . .
N6 C32 C33 122.9(5) . .
N6 C32 H32A 118.6 . .
C33 C32 H32A 118.6 . .
C32 C33 C29 120.4(6) . .
C32 C33 H33A 119.8 . .
C29 C33 H33A 119.8 . .
N7 C34 H34A 109.5 . .
N7 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N7 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N7 C35 H35A 109.5 . .
N7 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N7 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O8 C36 N7 125.7(9) . .
O8 C36 H36A 117.2 . .
N7 C36 H36A 117.2 . .
O9 C37 N8 134(2) . .
O9 C37 H37A 113.0 . .
N8 C37 H37A 113.0 . .
N8 C38 H38A 109.5 . .
N8 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
N8 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N8 C39 H39A 109.5 . .
N8 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
N8 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O10 C40 N9 128.3(12) . .
O10 C40 H40 115.8 . .
N9 C40 H40 115.8 . .
N9 C41 H41A 109.5 . .
N9 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N9 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
N9 C42 H42A 109.5 . .
N9 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N9 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C3 N1 C4 117.8(6) . .
C10 N2 C9 117.7(5) . .
C10 N2 Zn2 118.7(4) . 2_755
C9 N2 Zn2 123.3(4) . 2_755
C14 N3 C15 117.5(5) . .
C21 N4 C20 117.2(5) . .
C21 N4 Zn1 125.8(4) . 3_556
C20 N4 Zn1 117.0(4) . 3_556
C25 N5 C26 118.1(6) . .
C31 N6 C32 116.8(5) . .
C31 N6 Zn1 118.2(4) . 3
C32 N6 Zn1 124.4(4) . 3
C36 N7 C35 121.7(9) . .
C36 N7 C34 119.8(9) . .
C35 N7 C34 118.2(9) . .
C39 N8 C37 115.1(16) . .
C39 N8 C38 117.4(15) . .
C37 N8 C38 126.6(15) . .
C41 N9 C40 120.0(13) . .
C41 N9 C42 117.9(15) . .
C40 N9 C42 122.1(16) . .
C1 O1 Zn1 106.1(4) . .
C12 O4 Zn2 121.5(4) . .
C23 O5 Zn2 107.9(4) . .
Zn2 O7 Zn1 125.9(3) . .
Zn2 O7 H7 129(7) . .
Zn1 O7 H7 105(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O7 1.923(4) .
Zn1 O1 1.972(4) .
Zn1 N4 2.026(5) 3_556
Zn1 N6 2.032(5) 3
Zn2 O7 1.913(4) .
Zn2 O5 1.967(4) .
Zn2 O4 1.975(4) .
Zn2 N2 2.044(5) 2_745
C1 O2 1.241(7) .
C1 O1 1.276(7) .
C1 C2 1.490(8) .
C2 C6 1.371(9) .
C2 C3 1.396(9) .
C3 N1 1.313(8) .
C3 H3A 0.9500 .
C4 N1 1.336(8) .
C4 C5 1.368(9) .
C4 C7 1.486(8) .
C5 C6 1.373(9) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.403(8) .
C7 C11 1.407(8) .
C8 C9 1.380(8) .
C8 H8A 0.9500 .
C9 N2 1.349(7) .
C9 H9A 0.9500 .
C10 N2 1.338(7) .
C10 C11 1.371(8) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C12 O3 1.236(7) .
C12 O4 1.271(7) .
C12 C13 1.505(8) .
C13 C17 1.377(8) .
C13 C14 1.384(8) .
C14 N3 1.334(7) .
C14 H14A 0.9500 .
C15 N3 1.342(7) .
C15 C16 1.384(8) .
C15 C18 1.492(8) .
C16 C17 1.374(9) .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
C18 C22 1.382(8) .
C18 C19 1.384(8) .
C19 C20 1.362(8) .
C19 H19A 0.9500 .
C20 N4 1.335(7) .
C20 H20A 0.9500 .
C21 N4 1.329(7) .
C21 C22 1.383(8) .
C21 H21A 0.9500 .
C22 H22A 0.9500 .
C23 O6 1.229(7) .
C23 O5 1.285(7) .
C23 C24 1.507(8) .
C24 C25 1.363(9) .
C24 C28 1.369(9) .
C25 N5 1.335(8) .
C25 H25A 0.9500 .
C26 C27 1.344(10) .
C26 N5 1.349(8) .
C26 C29 1.486(8) .
C27 C28 1.366(10) .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 C33 1.374(8) .
C29 C30 1.396(9) .
C30 C31 1.367(9) .
C30 H30A 0.9500 .
C31 N6 1.332(8) .
C31 H31A 0.9500 .
C32 N6 1.338(8) .
C32 C33 1.365(8) .
C32 H32A 0.9500 .
C33 H33A 0.9500 .
C34 N7 1.495(12) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 N7 1.427(12) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 O8 1.217(10) .
C36 N7 1.315(10) .
C36 H36A 0.9500 .
C37 O9 1.25(3) .
C37 N8 1.35(3) .
C37 H37A 0.9500 .
C38 N8 1.55(2) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 N8 1.272(17) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 O10 1.137(12) .
C40 N9 1.373(16) .
C40 H40 0.9500 .
C41 N9 1.37(2) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 N9 1.47(2) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
N2 Zn2 2.044(5) 2_755
N4 Zn1 2.026(5) 3_556
N6 Zn1 2.032(5) 3
O7 H7 0.70(8) .
