#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/06/7220622.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_7220622
loop_
_publ_author_name
'Zhao, Lun'
'Guo, Huadong'
'Tang, Dong'
'Zhang, Min'
_publ_section_title
;
 Syntheses, characterization and properties of nine novel Zn(ii)
 coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic
 acid and various N-donor ligands
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5451
_journal_paper_doi               10.1039/C5CE00710K
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C66 H54 N6 O17 Zn2'
_chemical_formula_weight         1333.89
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-08 deposited with the CCDC.
2015-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 118.707(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.485(5)
_cell_length_b                   18.709(4)
_cell_length_c                   21.225(4)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.41
_cell_measurement_theta_min      1.62
_cell_volume                     7483(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0794
_diffrn_reflns_av_sigmaI/netI    0.1200
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23878
_diffrn_reflns_theta_full        28.41
_diffrn_reflns_theta_max         28.41
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    0.705
_exptl_absorpt_correction_T_max  0.859
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.211
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         9105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.1820
_refine_ls_R_factor_gt           0.0781
_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)+(0.1415P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2116
_refine_ls_wR_factor_ref         0.2716
_reflns_number_gt                4011
_reflns_number_total             9105
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00710k2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

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

 Adding full bibliography for 7220620--7220628.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7220622
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6295(4) 0.0172(3) 0.0337(4) 0.0785(19) Uani 1 1 d . A 1
H2 H 0.6564 0.0138 0.0102 0.094 Uiso 1 1 calc R A 1
C2 C 0.6099(4) -0.0443(3) 0.0544(4) 0.085(2) Uani 1 1 d . A 1
H3 H 0.6231 -0.0883 0.0439 0.102 Uiso 1 1 calc R A 1
C3 C 0.5712(3) -0.0423(3) 0.0903(3) 0.0601(15) Uani 1 1 d . A 1
C4 C 0.5560(3) 0.0235(4) 0.1055(4) 0.0722(18) Uani 1 1 d . A 1
H5 H 0.5318 0.0283 0.1318 0.087 Uiso 1 1 calc R A 1
C5 C 0.5764(3) 0.0841(3) 0.0821(3) 0.0675(16) Uani 1 1 d . A 1
H6 H 0.5646 0.1288 0.0924 0.081 Uiso 1 1 calc R A 1
C6 C 0.5496(3) -0.1099(3) 0.1125(4) 0.0747(18) Uani 1 1 d . A 1
H7A H 0.5127 -0.0992 0.1250 0.090 Uiso 1 1 calc R A 1
H7B H 0.5302 -0.1429 0.0724 0.090 Uiso 1 1 calc R A 1
C7 C 0.6104(3) -0.1447(4) 0.1751(3) 0.0750(18) Uani 1 1 d . A 1
H8A H 0.6461 -0.1569 0.1613 0.090 Uiso 1 1 calc R A 1
H8B H 0.6314 -0.1101 0.2137 0.090 Uiso 1 1 calc R A 1
C8 C 0.5936(3) -0.2095(4) 0.2033(4) 0.083(2) Uani 1 1 d . A 1
H9A H 0.5762 -0.2457 0.1660 0.100 Uiso 1 1 calc R A 1
H9B H 0.5556 -0.1984 0.2140 0.100 Uiso 1 1 calc R A 1
C9 C 0.6541(3) -0.2397(3) 0.2687(3) 0.0596(15) Uani 1 1 d . A 1
C10 C 0.7178(4) -0.2563(4) 0.2714(3) 0.080(2) Uani 1 1 d . A 1
H14 H 0.7223 -0.2505 0.2303 0.096 Uiso 1 1 calc R A 1
C11 C 0.7743(3) -0.2811(4) 0.3325(3) 0.0720(17) Uani 1 1 d . A 1
H13 H 0.8170 -0.2895 0.3327 0.086 Uiso 1 1 calc R A 1
C12 C 0.6497(3) -0.2520(3) 0.3313(3) 0.0567(14) Uani 1 1 d . A 1
H11 H 0.6080 -0.2420 0.3327 0.068 Uiso 1 1 calc R A 1
C13 C 0.7074(3) -0.2791(3) 0.3909(3) 0.0550(13) Uani 1 1 d . A 1
H12 H 0.7035 -0.2877 0.4320 0.066 Uiso 1 1 calc R A 1
C14 C 0.8136(3) 0.0165(3) -0.1625(3) 0.0635(16) Uani 1 1 d . . 1
C15 C 0.8394(3) 0.0603(4) -0.1026(4) 0.078(2) Uani 1 1 d . . 1
H20 H 0.8872 0.0723 -0.0785 0.094 Uiso 1 1 calc R . 1
C16 C 0.7418(3) 0.0007(3) -0.1988(3) 0.0730(18) Uani 1 1 d . . 1
H16 H 0.7237 -0.0277 -0.2398 0.088 Uiso 1 1 calc R . 1
C17 C 0.7943(3) 0.0863(3) -0.0781(3) 0.0640(16) Uani 1 1 d . . 1
H19 H 0.8123 0.1152 -0.0374 0.077 Uiso 1 1 calc R . 1
C18 C 0.6969(3) 0.0268(3) -0.1747(3) 0.0632(16) Uani 1 1 d . . 1
H17 H 0.6488 0.0157 -0.1993 0.076 Uiso 1 1 calc R . 1
C19 C 0.7233(3) 0.0696(3) -0.1136(3) 0.0497(13) Uani 1 1 d . . 1
C20 C 0.6751(3) 0.0973(3) -0.0870(3) 0.0511(13) Uani 1 1 d . . 1
C21 C 0.9102(3) -0.0618(3) -0.1457(3) 0.0629(16) Uani 1 1 d . . 1
C22 C 0.9690(3) -0.0755(3) -0.1549(3) 0.0669(16) Uani 1 1 d . . 1
H23 H 0.9764 -0.0493 -0.1879 0.080 Uiso 1 1 calc R . 1
C23 C 0.9035(4) -0.0998(4) -0.0937(4) 0.084(2) Uani 1 1 d . . 1
H26 H 0.8650 -0.0911 -0.0861 0.101 Uiso 1 1 calc R . 1
C24 C 0.9526(4) -0.1503(4) -0.0528(4) 0.080(2) Uani 1 1 d . . 1
H28 H 0.9470 -0.1742 -0.0174 0.096 Uiso 1 1 calc R . 1
C25 C 1.0165(3) -0.1286(3) -0.1143(3) 0.0645(16) Uani 1 1 d . . 1
H24 H 1.0544 -0.1388 -0.1224 0.077 Uiso 1 1 calc R . 1
C26 C 1.0096(3) -0.1668(3) -0.0624(3) 0.0582(14) Uani 1 1 d . . 1
C27 C 1.0578(3) -0.2273(3) -0.0234(4) 0.0624(15) Uani 1 1 d . . 1
C28 C 0.8439(3) 0.0059(3) -0.2588(4) 0.0681(17) Uani 1 1 d . . 1
C29 C 0.8442(3) -0.0449(4) -0.3058(4) 0.0735(18) Uani 1 1 d . . 1
H34 H 0.8562 -0.0918 -0.2903 0.088 Uiso 1 1 calc R . 1
C30 C 0.8238(4) 0.0745(4) -0.2846(4) 0.096(2) Uani 1 1 d . . 1
H30 H 0.8213 0.1098 -0.2550 0.115 Uiso 1 1 calc R . 1
C31 C 0.8076(5) 0.0905(5) -0.3538(5) 0.112(3) Uani 1 1 d . . 1
H31 H 0.7951 0.1370 -0.3704 0.135 Uiso 1 1 calc R . 1
C32 C 0.8274(4) -0.0273(5) -0.3744(4) 0.096(2) Uani 1 1 d . . 1
H33 H 0.8284 -0.0626 -0.4047 0.115 Uiso 1 1 calc R . 1
C33 C 0.8094(5) 0.0393(6) -0.3992(5) 0.106(3) Uani 1 1 d . . 1
H32 H 0.7983 0.0507 -0.4460 0.127 Uiso 1 1 calc R . 1
N1 N 0.6118(2) 0.0806(2) 0.0459(2) 0.0520(11) Uani 1 1 d . A 1
N2 N 0.7695(2) -0.2936(2) 0.3922(2) 0.0539(11) Uani 1 1 d . . 1
N3 N 0.8606(3) -0.0106(3) -0.1874(3) 0.0753(15) Uani 1 1 d . . 1
O1 O 0.6103(2) 0.0875(2) -0.1228(2) 0.0735(12) Uani 1 1 d . . 1
O2 O 0.70447(18) 0.12868(19) -0.0267(2) 0.0536(9) Uani 1 1 d . . 1
O3 O 1.0556(2) -0.2551(3) 0.0287(3) 0.0890(14) Uani 1 1 d . . 1
O4 O 1.0987(2) -0.2495(2) -0.0450(2) 0.0703(11) Uani 1 1 d . . 1
OW1 O 0.5000 0.0207(4) -0.2500 0.108(2) Uani 1 2 d S B 1
Zn1 Zn 0.64803(3) 0.16811(3) 0.01498(3) 0.0494(2) Uani 1 1 d . . 1
OW2 O 0.7107(18) -0.1831(16) -0.1187(18) 0.313(14) Uiso 0.50 1 d P C 1
OW4 O 1.0000 0.1498(19) -0.2500 0.466(18) Uiso 1 2 d S D 1
OW3 O 0.9603(18) 0.2239(19) -0.165(2) 0.62(2) Uiso 1 1 d . E 1
OW5 O 0.6198(15) -0.1354(17) -0.1266(15) 0.298(13) Uiso 0.50 1 d P F 1
OW6 O 0.8778(19) 0.3134(17) -0.265(2) 0.605(19) Uiso 1 1 d . G 1
OW7 O 0.647(3) -0.226(4) -0.041(3) 0.54(3) Uiso 0.50 1 d P H 1
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
N1 C1 C2 122.4(6) . .
N1 C1 H2 118.8 . .
C2 C1 H2 118.8 . .
C1 C2 C3 121.1(6) . .
C1 C2 H3 119.5 . .
C3 C2 H3 119.5 . .
C4 C3 C2 116.0(6) . .
C4 C3 C6 123.1(6) . .
C2 C3 C6 120.9(6) . .
C3 C4 C5 120.2(6) . .
C3 C4 H5 119.9 . .
C5 C4 H5 119.9 . .
N1 C5 C4 122.5(6) . .
N1 C5 H6 118.7 . .
C4 C5 H6 118.7 . .
C7 C6 C3 112.2(5) . .
C7 C6 H7A 109.2 . .
C3 C6 H7A 109.2 . .
C7 C6 H7B 109.2 . .
C3 C6 H7B 109.2 . .
H7A C6 H7B 107.9 . .
C8 C7 C6 116.1(5) . .
C8 C7 H8A 108.3 . .
C6 C7 H8A 108.3 . .
C8 C7 H8B 108.3 . .
C6 C7 H8B 108.3 . .
H8A C7 H8B 107.4 . .
C7 C8 C9 114.7(5) . .
C7 C8 H9A 108.6 . .
C9 C8 H9A 108.6 . .
C7 C8 H9B 108.6 . .
C9 C8 H9B 108.6 . .
H9A C8 H9B 107.6 . .
C10 C9 C12 116.3(5) . .
C10 C9 C8 122.1(6) . .
C12 C9 C8 121.6(6) . .
C11 C10 C9 122.0(6) . .
C11 C10 H14 119.0 . .
C9 C10 H14 119.0 . .
N2 C11 C10 121.4(6) . .
N2 C11 H13 119.3 . .
C10 C11 H13 119.3 . .
C13 C12 C9 119.5(5) . .
C13 C12 H11 120.3 . .
C9 C12 H11 120.3 . .
N2 C13 C12 122.7(5) . .
N2 C13 H12 118.6 . .
C12 C13 H12 118.6 . .
C15 C14 C16 118.9(5) . .
C15 C14 N3 120.3(6) . .
C16 C14 N3 120.7(6) . .
C14 C15 C17 120.6(6) . .
C14 C15 H20 119.7 . .
C17 C15 H20 119.7 . .
C18 C16 C14 120.6(6) . .
C18 C16 H16 119.7 . .
C14 C16 H16 119.7 . .
C19 C17 C15 120.3(6) . .
C19 C17 H19 119.9 . .
C15 C17 H19 119.9 . .
C16 C18 C19 120.2(6) . .
C16 C18 H17 119.9 . .
C19 C18 H17 119.9 . .
C17 C19 C18 119.4(5) . .
C17 C19 C20 120.2(5) . .
C18 C19 C20 120.4(5) . .
O1 C20 O2 123.9(5) . .
O1 C20 C19 119.8(5) . .
O2 C20 C19 116.3(5) . .
C23 C21 N3 121.6(5) . .
C23 C21 C22 117.9(5) . .
N3 C21 C22 120.6(6) . .
C25 C22 C21 119.5(6) . .
C25 C22 H23 120.3 . .
C21 C22 H23 120.3 . .
C24 C23 C21 121.3(6) . .
C24 C23 H26 119.4 . .
C21 C23 H26 119.4 . .
C26 C24 C23 122.1(6) . .
C26 C24 H28 118.9 . .
C23 C24 H28 118.9 . .
C26 C25 C22 122.5(5) . .
C26 C25 H24 118.7 . .
C22 C25 H24 118.7 . .
C24 C26 C25 116.7(5) . .
C24 C26 C27 121.5(6) . .
C25 C26 C27 121.6(5) . .
O4 C27 O3 121.6(6) . .
O4 C27 C26 118.5(6) . .
O3 C27 C26 119.9(6) . .
O4 C27 Zn1 46.3(3) . 3_545
O3 C27 Zn1 75.3(3) . 3_545
C26 C27 Zn1 164.5(5) . 3_545
C29 C28 C30 117.6(7) . .
C29 C28 N3 122.6(6) . .
C30 C28 N3 119.8(6) . .
C32 C29 C28 121.1(7) . .
C32 C29 H34 119.4 . .
C28 C29 H34 119.4 . .
C31 C30 C28 119.8(8) . .
C31 C30 H30 120.1 . .
C28 C30 H30 120.1 . .
C30 C31 C33 121.5(8) . .
C30 C31 H31 119.2 . .
C33 C31 H31 119.2 . .
C33 C32 C29 121.6(8) . .
C33 C32 H33 119.2 . .
C29 C32 H33 119.2 . .
C32 C33 C31 118.3(8) . .
C32 C33 H32 120.8 . .
C31 C33 H32 120.8 . .
C1 N1 C5 117.7(5) . .
C1 N1 Zn1 117.9(4) . .
C5 N1 Zn1 124.1(4) . .
C11 N2 C13 118.0(5) . .
C11 N2 Zn1 123.2(4) . 4_645
C13 N2 Zn1 118.8(4) . 4_645
C21 N3 C28 123.7(5) . .
C21 N3 C14 117.9(5) . .
C28 N3 C14 117.1(5) . .
C20 O2 Zn1 121.0(3) . .
C27 O4 Zn1 106.4(4) . 3_545
O4 Zn1 O2 105.22(17) 3_455 .
O4 Zn1 N2 107.37(17) 3_455 4_655
O2 Zn1 N2 97.45(17) . 4_655
O4 Zn1 N1 131.85(17) 3_455 .
O2 Zn1 N1 104.89(16) . .
N2 Zn1 N1 104.94(18) 4_655 .
O4 Zn1 C27 27.31(19) 3_455 3_455
O2 Zn1 C27 132.4(2) . 3_455
N2 Zn1 C27 102.06(18) 4_655 3_455
N1 Zn1 C27 111.18(19) . 3_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.309(7) .
C1 C2 1.367(8) .
C1 H2 0.9300 .
C2 C3 1.373(8) .
C2 H3 0.9300 .
C3 C4 1.353(8) .
C3 C6 1.499(8) .
C4 C5 1.390(8) .
C4 H5 0.9300 .
C5 N1 1.316(7) .
C5 H6 0.9300 .
C6 C7 1.493(8) .
C6 H7A 0.9700 .
C6 H7B 0.9700 .
C7 C8 1.470(8) .
C7 H8A 0.9700 .
C7 H8B 0.9700 .
C8 C9 1.485(8) .
C8 H9A 0.9700 .
C8 H9B 0.9700 .
C9 C10 1.376(8) .
C9 C12 1.397(8) .
C10 C11 1.363(8) .
C10 H14 0.9300 .
C11 N2 1.340(7) .
C11 H13 0.9300 .
C12 C13 1.373(7) .
C12 H11 0.9300 .
C13 N2 1.348(7) .
C13 H12 0.9300 .
C14 C15 1.385(8) .
C14 C16 1.386(9) .
C14 N3 1.438(7) .
C15 C17 1.388(8) .
C15 H20 0.9300 .
C16 C18 1.380(8) .
C16 H16 0.9300 .
C17 C19 1.374(7) .
C17 H19 0.9300 .
C18 C19 1.392(7) .
C18 H17 0.9300 .
C19 C20 1.492(7) .
C20 O1 1.237(6) .
C20 O2 1.267(6) .
C21 C23 1.378(9) .
C21 N3 1.388(7) .
C21 C22 1.392(8) .
C22 C25 1.387(8) .
C22 H23 0.9300 .
C23 C24 1.371(8) .
C23 H26 0.9300 .
C24 C26 1.369(8) .
C24 H28 0.9300 .
C25 C26 1.380(8) .
C25 H24 0.9300 .
C26 C27 1.488(8) .
C27 O4 1.241(7) .
C27 O3 1.243(7) .
C27 Zn1 2.595(6) 3_545
C28 C29 1.379(8) .
C28 C30 1.381(9) .
C28 N3 1.414(8) .
C29 C32 1.360(9) .
C29 H34 0.9300 .
C30 C31 1.370(10) .
C30 H30 0.9300 .
C31 C33 1.371(12) .
C31 H31 0.9300 .
C32 C33 1.337(11) .
C32 H33 0.9300 .
C33 H32 0.9300 .
N1 Zn1 2.052(4) .
N2 Zn1 2.045(4) 4_645
O2 Zn1 1.957(3) .
O4 Zn1 1.955(4) 3_545
Zn1 O4 1.955(4) 3_455
Zn1 N2 2.045(4) 4_655
Zn1 C27 2.595(6) 3_455
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
N1 C1 C2 C3 -1.0(12) .
C1 C2 C3 C4 -2.0(10) .
C1 C2 C3 C6 179.8(6) .
C2 C3 C4 C5 3.0(9) .
C6 C3 C4 C5 -178.8(6) .
C3 C4 C5 N1 -1.3(10) .
C4 C3 C6 C7 -103.9(7) .
C2 C3 C6 C7 74.2(8) .
C3 C6 C7 C8 176.9(7) .
C6 C7 C8 C9 -175.7(7) .
C7 C8 C9 C10 -54.1(9) .
C7 C8 C9 C12 125.2(7) .
C12 C9 C10 C11 -2.2(10) .
C8 C9 C10 C11 177.1(6) .
C9 C10 C11 N2 3.1(11) .
C10 C9 C12 C13 0.3(8) .
C8 C9 C12 C13 -179.1(5) .
C9 C12 C13 N2 1.0(8) .
C16 C14 C15 C17 1.8(10) .
N3 C14 C15 C17 -179.6(6) .
C15 C14 C16 C18 -1.5(10) .
N3 C14 C16 C18 179.9(6) .
C14 C15 C17 C19 -0.8(10) .
C14 C16 C18 C19 0.3(10) .
C15 C17 C19 C18 -0.5(9) .
C15 C17 C19 C20 179.7(6) .
C16 C18 C19 C17 0.8(9) .
C16 C18 C19 C20 -179.5(5) .
C17 C19 C20 O1 173.5(5) .
C18 C19 C20 O1 -6.3(8) .
C17 C19 C20 O2 -8.2(8) .
C18 C19 C20 O2 172.0(5) .
C23 C21 C22 C25 3.0(10) .
N3 C21 C22 C25 -177.8(6) .
N3 C21 C23 C24 179.9(7) .
C22 C21 C23 C24 -0.9(11) .
C21 C23 C24 C26 -1.5(12) .
C21 C22 C25 C26 -2.9(9) .
C23 C24 C26 C25 1.6(11) .
C23 C24 C26 C27 -173.0(7) .
C22 C25 C26 C24 0.6(9) .
C22 C25 C26 C27 175.2(6) .
C24 C26 C27 O4 164.7(6) .
C25 C26 C27 O4 -9.6(9) .
C24 C26 C27 O3 -14.1(9) .
C25 C26 C27 O3 171.6(6) .
C24 C26 C27 Zn1 154.8(13) 3_545
C25 C26 C27 Zn1 -19.6(19) 3_545
C30 C28 C29 C32 1.9(10) .
N3 C28 C29 C32 179.5(6) .
C29 C28 C30 C31 -2.3(11) .
N3 C28 C30 C31 -180.0(7) .
C28 C30 C31 C33 1.3(14) .
C28 C29 C32 C33 -0.5(12) .
C29 C32 C33 C31 -0.6(14) .
C30 C31 C33 C32 0.1(14) .
C2 C1 N1 C5 2.9(10) .
C2 C1 N1 Zn1 177.9(6) .
C4 C5 N1 C1 -1.8(9) .
C4 C5 N1 Zn1 -176.4(5) .
C10 C11 N2 C13 -1.7(10) .
C10 C11 N2 Zn1 179.2(5) 4_645
C12 C13 N2 C11 -0.3(8) .
C12 C13 N2 Zn1 178.8(4) 4_645
C23 C21 N3 C28 -149.5(7) .
C22 C21 N3 C28 31.3(10) .
C23 C21 N3 C14 17.3(10) .
C22 C21 N3 C14 -161.9(6) .
C29 C28 N3 C21 33.9(10) .
C30 C28 N3 C21 -148.5(7) .
C29 C28 N3 C14 -133.0(6) .
C30 C28 N3 C14 44.6(9) .
C15 C14 N3 C21 70.1(8) .
C16 C14 N3 C21 -111.3(7) .
C15 C14 N3 C28 -122.2(7) .
C16 C14 N3 C28 56.4(9) .
O1 C20 O2 Zn1 -1.9(7) .
C19 C20 O2 Zn1 179.8(3) .
O3 C27 O4 Zn1 2.4(7) 3_545
C26 C27 O4 Zn1 -176.4(4) 3_545
C20 O2 Zn1 O4 -70.3(4) 3_455
C20 O2 Zn1 N2 179.3(4) 4_655
C20 O2 Zn1 N1 71.7(4) .
C20 O2 Zn1 C27 -66.8(4) 3_455
C1 N1 Zn1 O4 126.5(5) 3_455
C5 N1 Zn1 O4 -58.9(5) 3_455
C1 N1 Zn1 O2 -0.6(5) .
C5 N1 Zn1 O2 174.0(4) .
C1 N1 Zn1 N2 -102.7(5) 4_655
C5 N1 Zn1 N2 71.9(5) 4_655
C1 N1 Zn1 C27 147.7(5) 3_455
C5 N1 Zn1 C27 -37.7(5) 3_455
