#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:15:55 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179621 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/85/4508502.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_4508502
loop_
_publ_author_name
'Hu, Fei-Long'
'Wu, Wei'
'Liang, Peng'
'Gu, Yun-Qiong'
'Zhu, Li-Gang'
'Wei, Han'
'Lang, Jian-Ping'
_publ_section_title
;
 Construction of Entangled Coordination Polymers Based on M2+Ions,
 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and
 Different N-Donor Ligands
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5050
_journal_paper_doi               10.1021/cg401212s
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C44 H33.33 N2.67 O10.67 Zn2'
_chemical_formula_weight         900.81
_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                 110.072(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            3
_cell_length_a                   13.475(5)
_cell_length_b                   12.797(5)
_cell_length_c                   17.276(6)
_cell_measurement_reflns_used    5605
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      2.30
_cell_volume                     2798.1(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15480
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.356
_exptl_absorpt_correction_T_max  0.7732
_exptl_absorpt_correction_T_min  0.7639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.236
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         4935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0298
_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)+(0.0386P)²+1.4821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                4125
_reflns_number_total             4935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401212s_si_002.cif
_cod_data_source_block           4
_cod_original_cell_volume        2798.2(17)
_cod_original_sg_symbol_H-M      p21/c
_cod_database_code               4508502
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 0.15231(2) 0.35763(2) 0.184659(16) 0.02873(10) Uani 1 1 d .
Zn2 Zn 0.0000 0.5000 0.0000 0.02697(11) Uani 1 2 d S
N1 N 0.03531(16) 0.65852(16) 0.04904(13) 0.0317(5) Uani 1 1 d .
N2 N 0.11977(16) 0.19891(16) 0.15051(12) 0.0312(5) Uani 1 1 d .
O1 O -0.03319(19) 0.35501(19) 0.20893(14) 0.0646(6) Uani 1 1 d .
O2 O 0.02087(12) 0.43299(14) 0.11635(10) 0.0313(4) Uani 1 1 d .
O3 O 0.18514(18) 0.49638(18) 0.28132(12) 0.0582(6) Uani 1 1 d .
O4 O 0.23401(16) 0.33329(17) 0.30570(12) 0.0514(5) Uani 1 1 d .
O5 O 0.25794(13) 0.38479(14) 0.12982(10) 0.0342(4) Uani 1 1 d .
O6 O 0.16019(13) 0.47389(14) 0.01783(10) 0.0327(4) Uani 1 1 d .
O7 O 0.51269(14) 0.02019(14) -0.15777(10) 0.0380(4) Uani 1 1 d .
O8 O 0.54886(14) 0.34202(14) -0.08870(11) 0.0389(4) Uani 1 1 d .
C1 C 0.1118(2) 0.7138(2) 0.03498(17) 0.0384(6) Uani 1 1 d .
H1 H 0.1560 0.6792 0.0123 0.046 Uiso 1 1 calc R
C2 C 0.1288(2) 0.8184(2) 0.05206(17) 0.0371(6) Uani 1 1 d .
H2 H 0.1825 0.8529 0.0400 0.045 Uiso 1 1 calc R
C3 C 0.06585(18) 0.87296(19) 0.08747(14) 0.0279(5) Uani 1 1 d .
C4 C -0.0115(2) 0.8150(2) 0.10422(16) 0.0358(6) Uani 1 1 d .
H4 H -0.0549 0.8468 0.1291 0.043 Uiso 1 1 calc R
C5 C -0.0241(2) 0.7105(2) 0.08403(16) 0.0375(6) Uani 1 1 d .
H5 H -0.0772 0.6740 0.0955 0.045 Uiso 1 1 calc R
C6 C 0.1533(2) 1.0462(2) 0.08402(17) 0.0381(6) Uani 1 1 d .
H6 H 0.1899 1.0161 0.0527 0.046 Uiso 1 1 calc R
C7 C 0.08317(19) 0.98597(19) 0.10816(14) 0.0282(5) Uani 1 1 d .
C8 C 0.0317(2) 1.0380(2) 0.15390(18) 0.0444(7) Uani 1 1 d .
H8 H -0.0168 1.0022 0.1714 0.053 Uiso 1 1 calc R
C9 C 0.1692(2) 0.1496(2) 0.10596(17) 0.0388(6) Uani 1 1 d .
H9 H 0.2169 0.1874 0.0889 0.047 Uiso 1 1 calc R
C10 C 0.0517(2) 0.1419(2) 0.17362(19) 0.0465(7) Uani 1 1 d .
H10 H 0.0160 0.1740 0.2046 0.056 Uiso 1 1 calc R
C11 C 0.2345(2) 0.4271(3) 0.32967(16) 0.0406(7) Uani 1 1 d .
C12 C 0.29738(19) 0.4534(2) 0.41722(14) 0.0315(6) Uani 1 1 d .
C13 C 0.3142(2) 0.5569(2) 0.44255(15) 0.0346(6) Uani 1 1 d .
H13 H 0.2830 0.6096 0.4050 0.042 Uiso 1 1 calc R
C14 C 0.37622(19) 0.5839(2) 0.52240(14) 0.0317(6) Uani 1 1 d .
H14 H 0.3865 0.6536 0.5384 0.038 Uiso 1 1 calc R
C15 C -0.0488(3) 0.4107(3) 0.1486(2) 0.0618(9) Uani 1 1 d .
H15 H -0.1160 0.4388 0.1244 0.074 Uiso 1 1 calc R
C16 C 0.24156(18) 0.42542(18) 0.05916(14) 0.0264(5) Uani 1 1 d .
C17 C 0.32584(19) 0.41030(19) 0.02169(14) 0.0279(5) Uani 1 1 d .
C18 C 0.42611(19) 0.3730(2) 0.06614(15) 0.0325(6) Uani 1 1 d .
H18 H 0.4442 0.3607 0.1224 0.039 Uiso 1 1 calc R
C19 C 0.4993(2) 0.3538(2) 0.02818(16) 0.0336(6) Uani 1 1 d .
H19 H 0.5665 0.3302 0.0592 0.040 Uiso 1 1 calc R
C20 C 0.4732(2) 0.36959(19) -0.05593(16) 0.0316(6) Uani 1 1 d .
C21 C 0.3747(2) 0.4088(2) -0.10061(17) 0.0437(7) Uani 1 1 d .
H21 H 0.3569 0.4220 -0.1567 0.052 Uiso 1 1 calc R
C22 C 0.3031(2) 0.4284(2) -0.06153(16) 0.0416(7) Uani 1 1 d .
H22 H 0.2370 0.4547 -0.0923 0.050 Uiso 1 1 calc R
C23 C 0.5238(2) 0.3541(2) -0.17625(17) 0.0460(7) Uani 1 1 d .
H23A H 0.5341 0.4262 -0.1891 0.055 Uiso 1 1 calc R
H23B H 0.4505 0.3357 -0.2050 0.055 Uiso 1 1 calc R
C24 C 0.5949(2) 0.2839(2) -0.20335(15) 0.0346(6) Uani 1 1 d .
C25 C 0.6752(2) 0.3270(2) -0.22723(17) 0.0430(7) Uani 1 1 d .
H25 H 0.6850 0.3990 -0.2249 0.052 Uiso 1 1 calc R
C26 C 0.7402(2) 0.2642(3) -0.25419(16) 0.0434(7) Uani 1 1 d .
H26 H 0.7930 0.2938 -0.2704 0.052 Uiso 1 1 calc R
C27 C 0.7261(2) 0.1574(2) -0.25690(16) 0.0400(7) Uani 1 1 d .
H27 H 0.7696 0.1148 -0.2750 0.048 Uiso 1 1 calc R
C28 C 0.6475(2) 0.1134(2) -0.23288(15) 0.0353(6) Uani 1 1 d .
H28 H 0.6392 0.0412 -0.2345 0.042 Uiso 1 1 calc R
C29 C 0.58083(18) 0.1755(2) -0.20636(13) 0.0285(5) Uani 1 1 d .
C30 C 0.49077(19) 0.1260(2) -0.18576(15) 0.0354(6) Uani 1 1 d .
H30A H 0.4771 0.1670 -0.1433 0.042 Uiso 1 1 calc R
H30B H 0.4275 0.1273 -0.2343 0.042 Uiso 1 1 calc R
C31 C 0.57744(19) 0.0043(2) -0.07792(14) 0.0296(5) Uani 1 1 d .
C32 C 0.5944(2) -0.0996(2) -0.05369(16) 0.0368(6) Uani 1 1 d .
H32 H 0.5637 -0.1524 -0.0912 0.044 Uiso 1 1 calc R
C33 C 0.6565(2) -0.1247(2) 0.02584(16) 0.0361(6) Uani 1 1 d .
H33 H 0.6676 -0.1944 0.0415 0.043 Uiso 1 1 calc R
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
O5 Zn1 O2 105.49(7) . .
O5 Zn1 O4 107.09(8) . .
O2 Zn1 O4 137.61(8) . .
O5 Zn1 N2 98.52(8) . .
O2 Zn1 N2 103.92(8) . .
O4 Zn1 N2 97.31(8) . .
O5 Zn1 O3 102.30(8) . .
O2 Zn1 O3 88.17(8) . .
O4 Zn1 O3 58.96(8) . .
N2 Zn1 O3 152.16(8) . .
O5 Zn1 C11 105.57(8) . .
O2 Zn1 C11 114.32(9) . .
O4 Zn1 C11 29.87(9) . .
N2 Zn1 C11 126.29(9) . .
O3 Zn1 C11 29.15(8) . .
O6 Zn2 O6 180.00(9) . 3_565
O6 Zn2 O2 89.92(6) . 3_565
O6 Zn2 O2 90.08(6) 3_565 3_565
O6 Zn2 O2 90.08(6) . .
O6 Zn2 O2 89.92(6) 3_565 .
O2 Zn2 O2 180.00(9) 3_565 .
O6 Zn2 N1 90.84(7) . .
O6 Zn2 N1 89.16(7) 3_565 .
O2 Zn2 N1 86.12(7) 3_565 .
O2 Zn2 N1 93.88(7) . .
O6 Zn2 N1 89.16(7) . 3_565
O6 Zn2 N1 90.84(7) 3_565 3_565
O2 Zn2 N1 93.88(8) 3_565 3_565
O2 Zn2 N1 86.12(7) . 3_565
N1 Zn2 N1 180.0 . 3_565
C5 N1 C1 116.0(2) . .
C5 N1 Zn2 123.56(17) . .
C1 N1 Zn2 119.88(17) . .
C10 N2 C9 116.3(2) . .
C10 N2 Zn1 122.57(17) . .
C9 N2 Zn1 121.13(17) . .
C15 O2 Zn1 105.59(18) . .
C15 O2 Zn2 128.86(18) . .
Zn1 O2 Zn2 123.84(8) . .
C11 O3 Zn1 82.36(18) . .
C11 O4 Zn1 97.55(18) . .
C16 O5 Zn1 127.55(15) . .
C16 O6 Zn2 145.04(16) . .
C31 O7 C30 117.75(19) . .
C20 O8 C23 117.8(2) . .
N1 C1 C2 123.9(2) . .
N1 C1 H1 118.0 . .
C2 C1 H1 118.0 . .
C1 C2 C3 120.0(2) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 116.0(2) . .
C4 C3 C7 122.4(2) . .
C2 C3 C7 121.6(2) . .
C5 C4 C3 120.1(2) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
N1 C5 C4 123.8(2) . .
N1 C5 H5 118.1 . .
C4 C5 H5 118.1 . .
C9 C6 C7 120.6(2) 1_565 .
C9 C6 H6 119.7 1_565 .
C7 C6 H6 119.7 . .
C8 C7 C6 115.5(2) . .
C8 C7 C3 122.3(2) . .
C6 C7 C3 122.2(2) . .
C10 C8 C7 120.7(3) 1_565 .
C10 C8 H8 119.6 1_565 .
C7 C8 H8 119.6 . .
N2 C9 C6 123.6(2) . 1_545
N2 C9 H9 118.2 . .
C6 C9 H9 118.2 1_545 .
N2 C10 C8 123.4(3) . 1_545
N2 C10 H10 118.3 . .
C8 C10 H10 118.3 1_545 .
O3 C11 O4 120.9(3) . .
O3 C11 C12 120.4(3) . .
O4 C11 C12 118.6(3) . .
O3 C11 Zn1 68.49(15) . .
O4 C11 Zn1 52.59(13) . .
C12 C11 Zn1 169.8(2) . .
C13 C12 C33 118.5(2) . 2_655
C13 C12 C11 120.4(2) . .
C33 C12 C11 121.0(3) 2_655 .
C14 C13 C12 121.8(2) . .
C14 C13 H13 119.1 . .
C12 C13 H13 119.1 . .
C13 C14 C31 118.5(2) . 2_655
C13 C14 H14 120.7 . .
C31 C14 H14 120.7 2_655 .
O1 C15 O2 124.5(3) . .
O1 C15 H15 117.8 . .
O2 C15 H15 117.8 . .
O6 C16 O5 125.4(2) . .
O6 C16 C17 117.6(2) . .
O5 C16 C17 116.9(2) . .
C22 C17 C18 117.3(2) . .
C22 C17 C16 119.8(2) . .
C18 C17 C16 122.8(2) . .
C19 C18 C17 121.1(2) . .
C19 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
C18 C19 C20 120.4(2) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
O8 C20 C21 124.8(2) . .
O8 C20 C19 116.0(2) . .
C21 C20 C19 119.2(2) . .
C22 C21 C20 119.5(2) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C17 122.5(2) . .
C21 C22 H22 118.8 . .
C17 C22 H22 118.8 . .
O8 C23 C24 108.6(2) . .
O8 C23 H23A 110.0 . .
C24 C23 H23A 110.0 . .
O8 C23 H23B 110.0 . .
C24 C23 H23B 110.0 . .
H23A C23 H23B 108.4 . .
C25 C24 C29 119.3(2) . .
C25 C24 C23 119.9(3) . .
C29 C24 C23 120.8(2) . .
C26 C25 C24 121.0(3) . .
C26 C25 H25 119.5 . .
C24 C25 H25 119.5 . .
C27 C26 C25 119.5(3) . .
C27 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
C26 C27 C28 120.3(3) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C27 C28 C29 121.0(3) . .
C27 C28 H28 119.5 . .
C29 C28 H28 119.5 . .
C28 C29 C24 119.0(2) . .
C28 C29 C30 120.0(2) . .
C24 C29 C30 121.0(2) . .
O7 C30 C29 112.6(2) . .
O7 C30 H30A 109.1 . .
C29 C30 H30A 109.1 . .
O7 C30 H30B 109.1 . .
C29 C30 H30B 109.1 . .
H30A C30 H30B 107.8 . .
O7 C31 C32 115.3(2) . .
O7 C31 C14 124.4(2) . 2_645
C32 C31 C14 120.3(2) . 2_645
C33 C32 C31 120.3(2) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C32 C33 C12 120.6(2) . 2_645
C32 C33 H33 119.7 . .
C12 C33 H33 119.7 2_645 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.9925(17) .
Zn1 O2 2.0062(17) .
Zn1 O4 2.025(2) .
Zn1 N2 2.119(2) .
Zn1 O3 2.373(2) .
Zn1 C11 2.528(3) .
Zn2 O6 2.0999(18) .
Zn2 O6 2.0999(18) 3_565
Zn2 O2 2.1136(17) 3_565
Zn2 O2 2.1136(17) .
Zn2 N1 2.187(2) .
Zn2 N1 2.187(2) 3_565
N1 C5 1.335(3) .
N1 C1 1.339(3) .
N2 C10 1.336(3) .
N2 C9 1.336(3) .
O1 C15 1.220(4) .
O2 C15 1.278(4) .
O3 C11 1.242(4) .
O4 C11 1.270(4) .
O5 C16 1.274(3) .
O6 C16 1.249(3) .
O7 C31 1.371(3) .
O7 C30 1.434(3) .
O8 C20 1.371(3) .
O8 C23 1.440(3) .
C1 C2 1.374(4) .
C1 H1 0.9300 .
C2 C3 1.392(3) .
C2 H2 0.9300 .
C3 C4 1.388(3) .
C3 C7 1.489(3) .
C4 C5 1.378(4) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C9 1.373(4) 1_565
C6 C7 1.390(4) .
C6 H6 0.9300 .
C7 C8 1.387(4) .
C8 C10 1.376(4) 1_565
C8 H8 0.9300 .
C9 C6 1.373(4) 1_545
C9 H9 0.9300 .
C10 C8 1.376(4) 1_545
C10 H10 0.9300 .
C11 C12 1.496(3) .
C12 C13 1.389(4) .
C12 C33 1.390(4) 2_655
C13 C14 1.389(3) .
C13 H13 0.9300 .
C14 C31 1.391(3) 2_655
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.500(3) .
C17 C22 1.383(3) .
C17 C18 1.390(3) .
C18 C19 1.381(3) .
C18 H18 0.9300 .
C19 C20 1.388(4) .
C19 H19 0.9300 .
C20 C21 1.381(4) .
C21 C22 1.378(4) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.501(4) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.397(4) .
C24 C29 1.398(4) .
C25 C26 1.382(4) .
C25 H25 0.9300 .
C26 C27 1.378(4) .
C26 H26 0.9300 .
C27 C28 1.383(4) .
C27 H27 0.9300 .
C28 C29 1.390(3) .
C28 H28 0.9300 .
C29 C30 1.516(3) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.389(4) .
C31 C14 1.391(3) 2_645
C32 C33 1.379(4) .
C32 H32 0.9300 .
C33 C12 1.390(4) 2_645
C33 H33 0.9300 .
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
O6 Zn2 N1 C5 -154.4(2) . .
O6 Zn2 N1 C5 25.6(2) 3_565 .
O2 Zn2 N1 C5 115.8(2) 3_565 .
O2 Zn2 N1 C5 -64.2(2) . .
N1 Zn2 N1 C5 5(66) 3_565 .
O6 Zn2 N1 C1 34.7(2) . .
O6 Zn2 N1 C1 -145.3(2) 3_565 .
O2 Zn2 N1 C1 -55.2(2) 3_565 .
O2 Zn2 N1 C1 124.8(2) . .
N1 Zn2 N1 C1 -166(66) 3_565 .
O5 Zn1 N2 C10 179.3(2) . .
O2 Zn1 N2 C10 -72.3(2) . .
O4 Zn1 N2 C10 70.8(2) . .
O3 Zn1 N2 C10 41.2(3) . .
C11 Zn1 N2 C10 62.8(2) . .
O5 Zn1 N2 C9 1.1(2) . .
O2 Zn1 N2 C9 109.5(2) . .
O4 Zn1 N2 C9 -107.4(2) . .
O3 Zn1 N2 C9 -137.0(2) . .
C11 Zn1 N2 C9 -115.4(2) . .
O5 Zn1 O2 C15 176.3(2) . .
O4 Zn1 O2 C15 -44.6(2) . .
N2 Zn1 O2 C15 73.2(2) . .
O3 Zn1 O2 C15 -81.4(2) . .
C11 Zn1 O2 C15 -68.1(2) . .
O5 Zn1 O2 Zn2 10.07(12) . .
O4 Zn1 O2 Zn2 149.17(10) . .
N2 Zn1 O2 Zn2 -93.05(11) . .
O3 Zn1 O2 Zn2 112.33(11) . .
C11 Zn1 O2 Zn2 125.59(11) . .
O6 Zn2 O2 C15 -172.5(3) . .
O6 Zn2 O2 C15 7.5(3) 3_565 .
O2 Zn2 O2 C15 16(100) 3_565 .
N1 Zn2 O2 C15 96.7(3) . .
N1 Zn2 O2 C15 -83.3(3) 3_565 .
O6 Zn2 O2 Zn1 -9.55(10) . .
O6 Zn2 O2 Zn1 170.45(10) 3_565 .
O2 Zn2 O2 Zn1 178(100) 3_565 .
N1 Zn2 O2 Zn1 -100.40(11) . .
N1 Zn2 O2 Zn1 79.60(11) 3_565 .
O5 Zn1 O3 C11 -99.97(16) . .
O2 Zn1 O3 C11 154.58(16) . .
O4 Zn1 O3 C11 2.73(15) . .
N2 Zn1 O3 C11 37.5(3) . .
O5 Zn1 O4 C11 91.64(17) . .
O2 Zn1 O4 C11 -47.1(2) . .
N2 Zn1 O4 C11 -167.08(16) . .
O3 Zn1 O4 C11 -2.67(15) . .
O2 Zn1 O5 C16 -11.0(2) . .
O4 Zn1 O5 C16 -163.53(19) . .
N2 Zn1 O5 C16 96.1(2) . .
O3 Zn1 O5 C16 -102.5(2) . .
C11 Zn1 O5 C16 -132.4(2) . .
O6 Zn2 O6 C16 69(12) 3_565 .
O2 Zn2 O6 C16 -163.9(3) 3_565 .
O2 Zn2 O6 C16 16.1(3) . .
N1 Zn2 O6 C16 110.0(3) . .
N1 Zn2 O6 C16 -70.0(3) 3_565 .
C5 N1 C1 C2 -2.0(4) . .
Zn2 N1 C1 C2 169.6(2) . .
N1 C1 C2 C3 1.2(4) . .
C1 C2 C3 C4 0.7(4) . .
C1 C2 C3 C7 178.9(2) . .
C2 C3 C4 C5 -1.6(4) . .
C7 C3 C4 C5 -179.8(2) . .
C1 N1 C5 C4 1.1(4) . .
Zn2 N1 C5 C4 -170.2(2) . .
C3 C4 C5 N1 0.7(4) . .
C9 C6 C7 C8 0.6(4) 1_565 .
C9 C6 C7 C3 -178.4(2) 1_565 .
C4 C3 C7 C8 7.6(4) . .
C2 C3 C7 C8 -170.6(3) . .
C4 C3 C7 C6 -173.4(2) . .
C2 C3 C7 C6 8.4(4) . .
C6 C7 C8 C10 -0.7(4) . 1_565
C3 C7 C8 C10 178.3(3) . 1_565
C10 N2 C9 C6 -0.2(4) . 1_545
Zn1 N2 C9 C6 178.2(2) . 1_545
C9 N2 C10 C8 0.1(4) . 1_545
Zn1 N2 C10 C8 -178.2(2) . 1_545
Zn1 O3 C11 O4 -4.4(2) . .
Zn1 O3 C11 C12 174.6(2) . .
Zn1 O4 C11 O3 5.1(3) . .
Zn1 O4 C11 C12 -173.82(18) . .
O5 Zn1 C11 O3 87.39(17) . .
O2 Zn1 C11 O3 -28.09(18) . .
O4 Zn1 C11 O3 -175.3(3) . .
N2 Zn1 C11 O3 -159.33(15) . .
O5 Zn1 C11 O4 -97.31(17) . .
O2 Zn1 C11 O4 147.21(15) . .
N2 Zn1 C11 O4 16.0(2) . .
O3 Zn1 C11 O4 175.3(3) . .
O5 Zn1 C11 C12 -65.0(11) . .
O2 Zn1 C11 C12 179.5(11) . .
O4 Zn1 C11 C12 32.3(10) . .
N2 Zn1 C11 C12 48.3(11) . .
O3 Zn1 C11 C12 -152.4(12) . .
O3 C11 C12 C13 -9.4(4) . .
O4 C11 C12 C13 169.5(2) . .
Zn1 C11 C12 C13 140.6(10) . .
O3 C11 C12 C33 173.0(3) . 2_655
O4 C11 C12 C33 -8.1(4) . 2_655
Zn1 C11 C12 C33 -37.0(12) . 2_655
C33 C12 C13 C14 0.6(4) 2_655 .
C11 C12 C13 C14 -177.0(2) . .
C12 C13 C14 C31 0.1(4) . 2_655
Zn1 O2 C15 O1 0.4(4) . .
Zn2 O2 C15 O1 165.8(3) . .
Zn2 O6 C16 O5 -20.1(4) . .
Zn2 O6 C16 C17 157.7(2) . .
Zn1 O5 C16 O6 14.6(3) . .
Zn1 O5 C16 C17 -163.22(15) . .
O6 C16 C17 C22 -14.2(3) . .
O5 C16 C17 C22 163.8(2) . .
O6 C16 C17 C18 169.4(2) . .
O5 C16 C17 C18 -12.6(3) . .
C22 C17 C18 C19 -0.7(4) . .
C16 C17 C18 C19 175.8(2) . .
C17 C18 C19 C20 -1.3(4) . .
C23 O8 C20 C21 -0.4(4) . .
C23 O8 C20 C19 178.1(2) . .
C18 C19 C20 O8 -175.9(2) . .
C18 C19 C20 C21 2.7(4) . .
O8 C20 C21 C22 176.4(3) . .
C19 C20 C21 C22 -2.1(4) . .
C20 C21 C22 C17 0.1(5) . .
C18 C17 C22 C21 1.3(4) . .
C16 C17 C22 C21 -175.3(3) . .
C20 O8 C23 C24 -158.3(2) . .
O8 C23 C24 C25 -109.0(3) . .
O8 C23 C24 C29 72.0(3) . .
C29 C24 C25 C26 0.4(4) . .
C23 C24 C25 C26 -178.5(3) . .
C24 C25 C26 C27 -0.5(4) . .
C25 C26 C27 C28 0.0(4) . .
C26 C27 C28 C29 0.6(4) . .
C27 C28 C29 C24 -0.7(4) . .
C27 C28 C29 C30 175.9(2) . .
C25 C24 C29 C28 0.2(4) . .
C23 C24 C29 C28 179.1(2) . .
C25 C24 C29 C30 -176.4(2) . .
C23 C24 C29 C30 2.5(4) . .
C31 O7 C30 C29 78.3(3) . .
C28 C29 C30 O7 28.6(3) . .
C24 C29 C30 O7 -154.9(2) . .
C30 O7 C31 C32 178.9(2) . .
C30 O7 C31 C14 -0.4(3) . 2_645
O7 C31 C32 C33 -178.7(2) . .
C14 C31 C32 C33 0.6(4) 2_645 .
C31 C32 C33 C12 0.2(4) . 2_645
