#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/33/4513328.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_4513328
loop_
_publ_author_name
'Wang, Shu-Long'
'Hu, Fei-Long'
'Zhou, Ju-Ying'
'Zhou, Yan'
'Huang, Qin'
'Lang, Jian-Ping'
_publ_section_title
;
 Rigidity versus Flexibility of Ligands in the Assembly of Entangled
 Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor
 Ligands
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4087
_journal_paper_doi               10.1021/acs.cgd.5b00642
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C28 H22 N O6 Zn'
_chemical_formula_weight         533.84
_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                109.67(3)
_cell_angle_beta                 96.74(3)
_cell_angle_gamma                96.16(3)
_cell_formula_units_Z            2
_cell_length_a                   9.3717(19)
_cell_length_b                   11.209(2)
_cell_length_c                   12.227(2)
_cell_measurement_reflns_used    6062
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      34.8053
_cell_measurement_theta_min      2.6121
_cell_volume                     1186.2(5)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8982
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             550
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.291
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4134
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0415
_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)+(0.0316P)²+0.9586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0883
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                3829
_reflns_number_total             4134
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00642_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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/crontab/automatic-downloads/rss-feeds/ACS/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4513327--4513333.cif.
;
_cod_original_cell_volume        1186.2(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4513328
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 0.1579(3) 0.8439(3) 0.5512(3) 0.0314(7) Uani 1 1 d .
C2 C 0.2730(3) 0.7710(3) 0.5811(3) 0.0308(7) Uani 1 1 d .
C3 C 0.3954(3) 0.7630(3) 0.5263(3) 0.0375(7) Uani 1 1 d .
H3 H 0.4015 0.7979 0.4676 0.045 Uiso 1 1 calc R
C4 C 0.5084(3) 0.7043(3) 0.5573(3) 0.0381(8) Uani 1 1 d .
H4 H 0.5888 0.6987 0.5189 0.046 Uiso 1 1 calc R
C5 C 0.5007(3) 0.6540(3) 0.6459(3) 0.0322(7) Uani 1 1 d .
C6 C 0.3765(3) 0.6578(3) 0.6994(3) 0.0377(7) Uani 1 1 d .
H6 H 0.3693 0.6211 0.7568 0.045 Uiso 1 1 calc R
C7 C 0.2648(3) 0.7158(3) 0.6671(3) 0.0349(7) Uani 1 1 d .
H7 H 0.1826 0.7182 0.7033 0.042 Uiso 1 1 calc R
C8 C 0.7420(3) 0.5984(4) 0.6412(3) 0.0426(8) Uani 1 1 d .
H8A H 0.7685 0.6775 0.6272 0.051 Uiso 1 1 calc R
H8B H 0.7302 0.5273 0.5670 0.051 Uiso 1 1 calc R
C9 C 0.8588(3) 0.5833(3) 0.7290(3) 0.0348(7) Uani 1 1 d .
C10 C 0.9416(4) 0.4874(4) 0.6991(3) 0.0623(12) Uani 1 1 d .
H10 H 0.9235 0.4268 0.6233 0.075 Uiso 1 1 calc R
C11 C 1.0528(4) 0.4799(4) 0.7815(4) 0.0651(12) Uani 1 1 d .
H11 H 1.1080 0.4141 0.7597 0.078 Uiso 1 1 calc R
C12 C 1.0825(3) 0.5674(3) 0.8938(3) 0.0379(8) Uani 1 1 d .
C13 C 0.9996(4) 0.6627(4) 0.9233(3) 0.0489(9) Uani 1 1 d .
H13 H 1.0182 0.7235 0.9990 0.059 Uiso 1 1 calc R
C14 C 0.8880(4) 0.6702(3) 0.8418(3) 0.0488(9) Uani 1 1 d .
H14 H 0.8320 0.7354 0.8642 0.059 Uiso 1 1 calc R
C15 C -0.1913(3) 0.8310(3) 0.3376(3) 0.0326(7) Uani 1 1 d .
C16 C -0.3102(3) 0.7590(3) 0.2361(2) 0.0295(6) Uani 1 1 d .
C17 C -0.4345(3) 0.6903(3) 0.2518(3) 0.0362(7) Uani 1 1 d .
H17 H -0.4381 0.6811 0.3242 0.043 Uiso 1 1 calc R
C18 C -0.5523(3) 0.6356(3) 0.1627(3) 0.0379(8) Uani 1 1 d .
H18 H -0.6339 0.5896 0.1748 0.045 Uiso 1 1 calc R
C19 C -0.5476(3) 0.6501(3) 0.0545(3) 0.0338(7) Uani 1 1 d .
C20 C -0.4197(3) 0.7088(3) 0.0335(3) 0.0358(7) Uani 1 1 d .
H20 H -0.4129 0.7114 -0.0409 0.043 Uiso 1 1 calc R
C21 C -0.3041(3) 0.7628(3) 0.1239(3) 0.0338(7) Uani 1 1 d .
H21 H -0.2196 0.8028 0.1099 0.041 Uiso 1 1 calc R
C22 C -0.7988(3) 0.5610(4) -0.0150(3) 0.0473(9) Uani 1 1 d .
H22A H -0.8148 0.6109 0.0632 0.057 Uiso 1 1 calc R
H22B H -0.7987 0.4729 -0.0198 0.057 Uiso 1 1 calc R
C23 C -0.1370(3) 0.9799(4) 0.8174(3) 0.0462(9) Uani 1 1 d .
H23 H -0.0418 0.9633 0.8225 0.055 Uiso 1 1 calc R
C24 C -0.2057(3) 0.9957(4) 0.9142(3) 0.0456(9) Uani 1 1 d .
H24 H -0.1561 0.9908 0.9826 0.055 Uiso 1 1 calc R
C25 C -0.3466(3) 1.0187(3) 0.9097(3) 0.0326(7) Uani 1 1 d .
C26 C -0.4122(3) 1.0266(4) 0.8055(3) 0.0438(9) Uani 1 1 d .
H26 H -0.5078 1.0421 0.7980 0.053 Uiso 1 1 calc R
C27 C -0.3369(3) 1.0115(3) 0.7129(3) 0.0381(8) Uani 1 1 d .
H27 H -0.3831 1.0187 0.6443 0.046 Uiso 1 1 calc R
C28 C -0.4218(3) 1.0363(3) 1.0154(3) 0.0401(8) Uani 1 1 d .
H28A H -0.4237 1.1270 1.0543 0.048 Uiso 1 1 calc R
H28B H -0.3657 1.0070 1.0705 0.048 Uiso 1 1 calc R
N1 N -0.2011(2) 0.9872(2) 0.7170(2) 0.0291(5) Uani 1 1 d .
O1 O 0.0485(2) 0.8485(2) 0.60269(19) 0.0413(5) Uani 1 1 d .
O2 O 0.6089(2) 0.6010(2) 0.6889(2) 0.0443(6) Uani 1 1 d .
O3 O -0.1782(2) 1.1039(2) 0.52316(19) 0.0422(6) Uani 1 1 d .
O4 O -0.2114(2) 0.8356(2) 0.43908(18) 0.0409(5) Uani 1 1 d .
O5 O 0.0800(2) 1.1153(2) 0.68601(18) 0.0406(5) Uani 1 1 d .
O6 O -0.6620(2) 0.6118(2) -0.03658(18) 0.0434(6) Uani 1 1 d .
Zn1 Zn -0.08697(3) 0.97304(3) 0.58241(3) 0.02585(11) Uani 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'
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
O3 C1 O1 124.8(3) 2_576 .
O3 C1 C2 117.4(3) 2_576 .
O1 C1 C2 117.8(3) . .
C3 C2 C7 118.3(3) . .
C3 C2 C1 119.8(3) . .
C7 C2 C1 121.9(3) . .
C4 C3 C2 121.4(3) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C5 C4 C3 119.5(3) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
O2 C5 C4 124.8(3) . .
O2 C5 C6 115.4(3) . .
C4 C5 C6 119.8(3) . .
C7 C6 C5 119.9(3) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 121.0(3) . .
C6 C7 H7 119.5 . .
C2 C7 H7 119.5 . .
O2 C8 C9 107.9(3) . .
O2 C8 H8A 110.1 . .
C9 C8 H8A 110.1 . .
O2 C8 H8B 110.1 . .
C9 C8 H8B 110.1 . .
H8A C8 H8B 108.4 . .
C10 C9 C14 118.1(3) . .
C10 C9 C8 122.2(3) . .
C14 C9 C8 119.7(3) . .
C9 C10 C11 120.5(3) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C12 C11 C10 121.3(3) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C13 C12 C11 118.1(3) . .
C13 C12 C22 119.5(3) . 1_756
C11 C12 C22 122.5(3) . 1_756
C12 C13 C14 120.9(3) . .
C12 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C9 C14 C13 121.1(3) . .
C9 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
O5 C15 O4 125.5(3) 2_576 .
O5 C15 C16 116.5(3) 2_576 .
O4 C15 C16 118.0(3) . .
C21 C16 C17 117.5(3) . .
C21 C16 C15 121.4(3) . .
C17 C16 C15 121.0(3) . .
C18 C17 C16 121.8(3) . .
C18 C17 H17 119.1 . .
C16 C17 H17 119.1 . .
C17 C18 C19 119.1(3) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
O6 C19 C18 124.7(3) . .
O6 C19 C20 115.3(3) . .
C18 C19 C20 119.9(3) . .
C21 C20 C19 119.4(3) . .
C21 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
C20 C21 C16 121.7(3) . .
C20 C21 H21 119.2 . .
C16 C21 H21 119.2 . .
O6 C22 C12 108.3(3) . 1_354
O6 C22 H22A 110.0 . .
C12 C22 H22A 110.0 1_354 .
O6 C22 H22B 110.0 . .
C12 C22 H22B 110.0 1_354 .
H22A C22 H22B 108.4 . .
N1 C23 C24 123.0(3) . .
N1 C23 H23 118.5 . .
C24 C23 H23 118.5 . .
C25 C24 C23 120.2(3) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C24 C25 C26 116.5(3) . .
C24 C25 C28 120.4(3) . .
C26 C25 C28 123.1(3) . .
C27 C26 C25 120.3(3) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
N1 C27 C26 123.0(3) . .
N1 C27 H27 118.5 . .
C26 C27 H27 118.5 . .
C25 C28 C28 113.5(3) . 2_477
C25 C28 H28A 108.9 . .
C28 C28 H28A 108.9 2_477 .
C25 C28 H28B 108.9 . .
C28 C28 H28B 108.9 2_477 .
H28A C28 H28B 107.7 . .
C27 N1 C23 117.0(2) . .
C27 N1 Zn1 122.79(19) . .
C23 N1 Zn1 120.09(19) . .
C1 O1 Zn1 116.57(19) . .
C5 O2 C8 118.5(2) . .
C1 O3 Zn1 137.0(2) 2_576 .
C15 O4 Zn1 119.3(2) . .
C15 O5 Zn1 132.2(2) 2_576 .
C19 O6 C22 117.0(2) . .
O4 Zn1 N1 105.23(10) . .
O4 Zn1 O1 91.78(10) . .
N1 Zn1 O1 101.21(9) . .
O4 Zn1 O5 160.99(9) . .
N1 Zn1 O5 93.74(10) . .
O1 Zn1 O5 85.64(9) . .
O4 Zn1 O3 86.39(9) . .
N1 Zn1 O3 97.67(9) . .
O1 Zn1 O3 160.84(9) . .
O5 Zn1 O3 89.90(10) . .
O4 Zn1 Zn1 85.96(7) . 2_576
N1 Zn1 Zn1 164.69(7) . 2_576
O1 Zn1 Zn1 88.62(7) . 2_576
O5 Zn1 Zn1 75.16(7) . 2_576
O3 Zn1 Zn1 72.23(6) . 2_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O3 1.258(3) 2_576
C1 O1 1.261(3) .
C1 C2 1.503(4) .
C2 C3 1.391(4) .
C2 C7 1.393(4) .
C3 C4 1.387(4) .
C3 H3 0.9300 .
C4 C5 1.384(4) .
C4 H4 0.9300 .
C5 O2 1.368(3) .
C5 C6 1.399(4) .
C6 C7 1.378(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O2 1.437(4) .
C8 C9 1.505(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.369(4) .
C9 C14 1.370(5) .
C10 C11 1.391(4) .
C10 H10 0.9300 .
C11 C12 1.367(5) .
C11 H11 0.9300 .
C12 C13 1.363(5) .
C12 C22 1.506(4) 1_756
C13 C14 1.387(4) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O5 1.259(3) 2_576
C15 O4 1.262(3) .
C15 C16 1.497(4) .
C16 C21 1.394(4) .
C16 C17 1.395(4) .
C17 C18 1.380(4) .
C17 H17 0.9300 .
C18 C19 1.391(4) .
C18 H18 0.9300 .
C19 O6 1.369(3) .
C19 C20 1.397(4) .
C20 C21 1.375(4) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O6 1.436(4) .
C22 C12 1.506(4) 1_354
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N1 1.334(4) .
C23 C24 1.381(4) .
C23 H23 0.9300 .
C24 C25 1.371(4) .
C24 H24 0.9300 .
C25 C26 1.383(4) .
C25 C28 1.510(4) .
C26 C27 1.376(4) .
C26 H26 0.9300 .
C27 N1 1.328(3) .
C27 H27 0.9300 .
C28 C28 1.536(6) 2_477
C28 H28A 0.9700 .
C28 H28B 0.9700 .
N1 Zn1 2.038(2) .
O1 Zn1 2.041(2) .
O3 C1 1.258(3) 2_576
O3 Zn1 2.061(2) .
O4 Zn1 2.030(2) .
O5 C15 1.259(4) 2_576
O5 Zn1 2.058(2) .
Zn1 Zn1 2.9091(10) 2_576
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 C1 C2 C3 -0.4(4) 2_576 .
O1 C1 C2 C3 179.8(3) . .
O3 C1 C2 C7 176.4(3) 2_576 .
O1 C1 C2 C7 -3.5(4) . .
C7 C2 C3 C4 -1.3(5) . .
C1 C2 C3 C4 175.5(3) . .
C2 C3 C4 C5 -1.0(5) . .
C3 C4 C5 O2 -175.8(3) . .
C3 C4 C5 C6 2.9(5) . .
O2 C5 C6 C7 176.3(3) . .
C4 C5 C6 C7 -2.5(5) . .
C5 C6 C7 C2 0.2(5) . .
C3 C2 C7 C6 1.7(5) . .
C1 C2 C7 C6 -175.1(3) . .
O2 C8 C9 C10 125.9(4) . .
O2 C8 C9 C14 -56.5(4) . .
C14 C9 C10 C11 -0.5(6) . .
C8 C9 C10 C11 177.2(4) . .
C9 C10 C11 C12 -0.1(7) . .
C10 C11 C12 C13 0.2(6) . .
C10 C11 C12 C22 179.5(4) . 1_756
C11 C12 C13 C14 0.3(6) . .
C22 C12 C13 C14 -179.0(3) 1_756 .
C10 C9 C14 C13 0.9(6) . .
C8 C9 C14 C13 -176.8(3) . .
C12 C13 C14 C9 -0.8(6) . .
O5 C15 C16 C21 -6.5(4) 2_576 .
O4 C15 C16 C21 171.9(3) . .
O5 C15 C16 C17 176.4(3) 2_576 .
O4 C15 C16 C17 -5.1(4) . .
C21 C16 C17 C18 -4.7(5) . .
C15 C16 C17 C18 172.5(3) . .
C16 C17 C18 C19 -0.5(5) . .
C17 C18 C19 O6 -173.2(3) . .
C17 C18 C19 C20 6.0(5) . .
O6 C19 C20 C21 173.1(3) . .
C18 C19 C20 C21 -6.2(5) . .
C19 C20 C21 C16 0.9(5) . .
C17 C16 C21 C20 4.5(5) . .
C15 C16 C21 C20 -172.7(3) . .
N1 C23 C24 C25 0.8(6) . .
C23 C24 C25 C26 -0.9(5) . .
C23 C24 C25 C28 -179.9(3) . .
C24 C25 C26 C27 0.1(5) . .
C28 C25 C26 C27 179.0(3) . .
C25 C26 C27 N1 1.1(6) . .
C24 C25 C28 C28 -135.9(4) . 2_477
C26 C25 C28 C28 45.2(5) . 2_477
C26 C27 N1 C23 -1.2(5) . .
C26 C27 N1 Zn1 -177.2(3) . .
C24 C23 N1 C27 0.3(5) . .
C24 C23 N1 Zn1 176.4(3) . .
O3 C1 O1 Zn1 -10.2(4) 2_576 .
C2 C1 O1 Zn1 169.58(19) . .
C4 C5 O2 C8 1.1(5) . .
C6 C5 O2 C8 -177.6(3) . .
C9 C8 O2 C5 159.3(3) . .
O5 C15 O4 Zn1 17.1(4) 2_576 .
C16 C15 O4 Zn1 -161.2(2) . .
C18 C19 O6 C22 4.4(5) . .
C20 C19 O6 C22 -174.8(3) . .
C12 C22 O6 C19 160.9(3) 1_354 .
C15 O4 Zn1 N1 159.6(2) . .
C15 O4 Zn1 O1 -98.2(2) . .
C15 O4 Zn1 O5 -16.5(4) . .
C15 O4 Zn1 O3 62.7(2) . .
C15 O4 Zn1 Zn1 -9.8(2) . 2_576
C27 N1 Zn1 O4 -55.9(3) . .
C23 N1 Zn1 O4 128.2(3) . .
C27 N1 Zn1 O1 -150.9(3) . .
C23 N1 Zn1 O1 33.2(3) . .
C27 N1 Zn1 O5 122.8(3) . .
C23 N1 Zn1 O5 -53.0(3) . .
C27 N1 Zn1 O3 32.4(3) . .
C23 N1 Zn1 O3 -143.4(3) . .
C27 N1 Zn1 Zn1 80.0(4) . 2_576
C23 N1 Zn1 Zn1 -95.9(3) . 2_576
C1 O1 Zn1 O4 91.2(2) . .
C1 O1 Zn1 N1 -162.9(2) . .
C1 O1 Zn1 O5 -70.0(2) . .
C1 O1 Zn1 O3 7.0(4) . .
C1 O1 Zn1 Zn1 5.3(2) . 2_576
C15 O5 Zn1 O4 1.7(5) 2_576 .
C15 O5 Zn1 N1 -174.6(3) 2_576 .
C15 O5 Zn1 O1 84.5(3) 2_576 .
C15 O5 Zn1 O3 -76.9(3) 2_576 .
C15 O5 Zn1 Zn1 -5.2(3) 2_576 2_576
C1 O3 Zn1 O4 -81.9(3) 2_576 .
C1 O3 Zn1 N1 173.2(3) 2_576 .
C1 O3 Zn1 O1 3.2(5) 2_576 .
C1 O3 Zn1 O5 79.5(3) 2_576 .
C1 O3 Zn1 Zn1 5.1(3) 2_576 2_576
