#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:04:12 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179650 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/03/4510334.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_4510334
loop_
_publ_author_name
'Xu, Bing'
'Xie, Juan'
'Hu, Huai-Ming'
'Yang, Xiao-Le'
'Dong, Fa-Xin'
'Yang, Meng-Lin'
'Xue, Gang-Lin'
_publ_section_title
;
 Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination
 Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1629
_journal_paper_doi               10.1021/cg4016977
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C44 H28 N6 O4 Zn, O0.50, O0.50'
_chemical_formula_sum            'C88 H56 N12 O10 Zn2'
_chemical_formula_weight         1572.19
_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                98.625(2)
_cell_angle_beta                 94.455(2)
_cell_angle_gamma                116.5010(10)
_cell_formula_units_Z            1
_cell_length_a                   11.5711(9)
_cell_length_b                   12.1705(9)
_cell_length_c                   14.5802(19)
_cell_measurement_reflns_used    2469
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.26
_cell_measurement_theta_min      2.86
_cell_volume                     1792.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9141
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.442
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         6281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0483P)²+0.7262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1036
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                4840
_reflns_number_total             6281
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg4016977_si_003.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4510334
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
Zn1 Zn 0.89616(3) 1.49970(3) 0.23910(3) 0.04507(14) Uani 1 1 d .
N1 N 0.0802(2) 0.6528(2) 0.26901(18) 0.0442(6) Uani 1 1 d .
N2 N 0.5547(2) 0.9640(2) 0.35808(16) 0.0399(6) Uani 1 1 d .
N3 N 0.9929(3) 0.9744(3) 0.3638(2) 0.0687(9) Uani 1 1 d .
N4 N 0.9230(2) 1.3411(2) 0.22367(18) 0.0446(6) Uani 1 1 d .
N5 N 1.0735(2) 1.0174(2) 0.13649(16) 0.0397(6) Uani 1 1 d .
N6 N 1.4920(3) 0.9914(3) 0.1210(2) 0.0606(8) Uani 1 1 d .
O1 O 0.8478(2) 1.5222(2) 0.36528(16) 0.0559(6) Uani 1 1 d .
O2 O 0.6611(2) 1.3618(2) 0.29055(15) 0.0571(6) Uani 1 1 d .
O3 O 0.8060(3) 0.6116(3) 0.1764(2) 0.0928(11) Uani 1 1 d .
O4 O 0.8118(3) 0.4518(3) 0.0953(3) 0.1022(11) Uani 1 1 d .
C1 C 0.0905(3) 0.7523(3) 0.3294(2) 0.0499(8) Uani 1 1 d .
H1 H 0.0152 0.7479 0.3507 0.060 Uiso 1 1 calc R
C2 C 0.2053(3) 0.8599(3) 0.3615(2) 0.0487(8) Uani 1 1 d .
H2 H 0.2062 0.9272 0.4020 0.058 Uiso 1 1 calc R
C3 C 0.3207(3) 0.8687(3) 0.3337(2) 0.0387(7) Uani 1 1 d .
C4 C 0.3105(3) 0.7665(3) 0.2701(2) 0.0460(8) Uani 1 1 d .
H4 H 0.3845 0.7684 0.2482 0.055 Uiso 1 1 calc R
C5 C 0.1916(3) 0.6633(3) 0.2397(2) 0.0494(8) Uani 1 1 d .
H5 H 0.1872 0.5967 0.1963 0.059 Uiso 1 1 calc R
C6 C 0.4490(3) 0.9812(3) 0.3685(2) 0.0372(7) Uani 1 1 d .
C7 C 0.4607(3) 1.0973(3) 0.4085(2) 0.0400(7) Uani 1 1 d .
H7 H 0.3861 1.1056 0.4174 0.048 Uiso 1 1 calc R
C8 C 0.5827(3) 1.2008(3) 0.43524(19) 0.0382(7) Uani 1 1 d .
C9 C 0.6908(3) 1.1822(3) 0.4218(2) 0.0419(7) Uani 1 1 d .
H9 H 0.7746 1.2497 0.4373 0.050 Uiso 1 1 calc R
C10 C 0.6736(3) 1.0627(3) 0.3852(2) 0.0400(7) Uani 1 1 d .
C11 C 1.0120(4) 1.0860(4) 0.4075(3) 0.0664(10) Uani 1 1 d .
H11 H 1.0970 1.1450 0.4349 0.080 Uiso 1 1 calc R
C12 C 0.9141(3) 1.1209(3) 0.4153(2) 0.0544(9) Uani 1 1 d .
H12 H 0.9343 1.2014 0.4464 0.065 Uiso 1 1 calc R
C13 C 0.7861(3) 1.0360(3) 0.3767(2) 0.0420(7) Uani 1 1 d .
C14 C 0.7661(4) 0.9193(3) 0.3296(2) 0.0576(9) Uani 1 1 d .
H14 H 0.6823 0.8584 0.3014 0.069 Uiso 1 1 calc R
C15 C 0.8701(4) 0.8940(4) 0.3249(3) 0.0682(11) Uani 1 1 d .
H15 H 0.8534 0.8153 0.2923 0.082 Uiso 1 1 calc R
C16 C 0.5996(3) 1.3254(3) 0.4825(2) 0.0391(7) Uani 1 1 d .
C17 C 0.5431(3) 1.3316(3) 0.5626(2) 0.0539(9) Uani 1 1 d .
H17 H 0.4906 1.2580 0.5816 0.065 Uiso 1 1 calc R
C18 C 0.5636(4) 1.4449(4) 0.6140(3) 0.0673(11) Uani 1 1 d .
H18 H 0.5238 1.4471 0.6668 0.081 Uiso 1 1 calc R
C19 C 0.6424(4) 1.5548(4) 0.5878(3) 0.0669(11) Uani 1 1 d .
H19 H 0.6577 1.6314 0.6235 0.080 Uiso 1 1 calc R
C20 C 0.6989(3) 1.5508(3) 0.5082(3) 0.0577(9) Uani 1 1 d .
H20 H 0.7527 1.6254 0.4909 0.069 Uiso 1 1 calc R
C21 C 0.6767(3) 1.4372(3) 0.4533(2) 0.0407(7) Uani 1 1 d .
C22 C 0.7299(3) 1.4377(3) 0.3627(2) 0.0425(7) Uani 1 1 d .
C23 C 1.0360(3) 1.3369(3) 0.2368(2) 0.0516(8) Uani 1 1 d .
H23 H 1.1101 1.4098 0.2675 0.062 Uiso 1 1 calc R
C24 C 1.0493(3) 1.2311(3) 0.2077(2) 0.0491(8) Uani 1 1 d .
H24 H 1.1311 1.2340 0.2175 0.059 Uiso 1 1 calc R
C25 C 0.9405(3) 1.1200(3) 0.1636(2) 0.0377(7) Uani 1 1 d .
C26 C 0.8219(3) 1.1228(3) 0.1550(2) 0.0472(8) Uani 1 1 d .
H26 H 0.7451 1.0497 0.1294 0.057 Uiso 1 1 calc R
C27 C 0.8172(3) 1.2331(3) 0.1841(2) 0.0481(8) Uani 1 1 d .
H27 H 0.7365 1.2327 0.1760 0.058 Uiso 1 1 calc R
C28 C 0.9516(3) 1.0056(3) 0.12690(19) 0.0380(7) Uani 1 1 d .
C29 C 0.8432(3) 0.8933(3) 0.0821(2) 0.0417(7) Uani 1 1 d .
H29 H 0.7605 0.8887 0.0748 0.050 Uiso 1 1 calc R
C30 C 0.8579(3) 0.7891(3) 0.0485(2) 0.0394(7) Uani 1 1 d .
C31 C 0.9844(3) 0.8017(3) 0.0603(2) 0.0419(7) Uani 1 1 d .
H31 H 0.9984 0.7333 0.0394 0.050 Uiso 1 1 calc R
C32 C 1.0891(3) 0.9164(3) 0.1033(2) 0.0379(7) Uani 1 1 d .
C33 C 1.4545(3) 1.0676(3) 0.1700(2) 0.0545(9) Uani 1 1 d .
H33 H 1.5193 1.1408 0.2090 0.065 Uiso 1 1 calc R
C34 C 1.3279(3) 1.0465(3) 0.1675(2) 0.0444(8) Uani 1 1 d .
H34 H 1.3092 1.1046 0.2035 0.053 Uiso 1 1 calc R
C35 C 1.2273(3) 0.9382(3) 0.1111(2) 0.0387(7) Uani 1 1 d .
C36 C 1.2631(3) 0.8560(3) 0.0607(2) 0.0484(8) Uani 1 1 d .
H36 H 1.1998 0.7807 0.0230 0.058 Uiso 1 1 calc R
C37 C 1.3947(3) 0.8874(3) 0.0671(3) 0.0585(9) Uani 1 1 d .
H37 H 1.4168 0.8319 0.0311 0.070 Uiso 1 1 calc R
C38 C 0.7450(3) 0.6713(3) -0.0054(2) 0.0401(7) Uani 1 1 d .
C39 C 0.6672(3) 0.6791(3) -0.0786(2) 0.0488(8) Uani 1 1 d .
H39 H 0.6848 0.7577 -0.0904 0.059 Uiso 1 1 calc R
C40 C 0.5643(3) 0.5736(3) -0.1347(2) 0.0608(10) Uani 1 1 d .
H40 H 0.5118 0.5811 -0.1824 0.073 Uiso 1 1 calc R
C41 C 0.5402(4) 0.4570(3) -0.1191(3) 0.0627(10) Uani 1 1 d .
H41 H 0.4723 0.3851 -0.1571 0.075 Uiso 1 1 calc R
C42 C 0.6165(3) 0.4472(3) -0.0474(3) 0.0598(9) Uani 1 1 d .
H42 H 0.6008 0.3680 -0.0383 0.072 Uiso 1 1 calc R
C43 C 0.7174(3) 0.5535(3) 0.0124(2) 0.0488(8) Uani 1 1 d .
C44 C 0.7842(3) 0.5400(4) 0.1018(4) 0.0703(12) Uani 1 1 d .
O5 O -0.0104(9) 0.4298(8) 0.4716(7) 0.174(4) Uani 0.50 1 d P
O6 O 0.0444(18) 0.498(2) 0.0297(13) 0.338(10) Uani 0.50 1 d P
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
O1 Zn1 N1 96.90(10) . 1_665
O1 Zn1 N4 106.28(10) . .
N1 Zn1 N4 106.88(10) 1_665 .
O1 Zn1 O4 139.69(12) . 1_565
N1 Zn1 O4 112.98(11) 1_665 1_565
N4 Zn1 O4 90.78(11) . 1_565
O1 Zn1 O3 96.14(12) . 1_565
N1 Zn1 O3 91.87(10) 1_665 1_565
N4 Zn1 O3 148.39(11) . 1_565
O4 Zn1 O3 58.11(12) 1_565 1_565
O1 Zn1 C44 119.94(14) . 1_565
N1 Zn1 C44 103.34(10) 1_665 1_565
N4 Zn1 C44 120.05(14) . 1_565
O4 Zn1 C44 29.38(13) 1_565 1_565
O3 Zn1 C44 28.73(12) 1_565 1_565
C1 N1 C5 116.2(3) . .
C1 N1 Zn1 115.0(2) . 1_445
C5 N1 Zn1 128.7(2) . 1_445
C10 N2 C6 118.7(3) . .
C11 N3 C15 115.6(3) . .
C23 N4 C27 116.6(3) . .
C23 N4 Zn1 127.2(2) . .
C27 N4 Zn1 115.6(2) . .
C32 N5 C28 118.4(2) . .
C33 N6 C37 114.8(3) . .
C22 O1 Zn1 108.4(2) . .
C44 O3 Zn1 86.2(3) . 1_545
C44 O4 Zn1 93.8(3) . 1_545
N1 C1 C2 123.8(3) . .
N1 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C1 C2 C3 119.9(3) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C3 C2 116.6(3) . .
C4 C3 C6 120.9(3) . .
C2 C3 C6 122.5(3) . .
C5 C4 C3 120.0(3) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
N1 C5 C4 123.6(3) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
N2 C6 C7 121.6(3) . .
N2 C6 C3 115.6(3) . .
C7 C6 C3 122.8(3) . .
C8 C7 C6 120.4(3) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C7 C8 C9 117.2(3) . .
C7 C8 C16 122.0(3) . .
C9 C8 C16 120.7(3) . .
C8 C9 C10 119.9(3) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
N2 C10 C9 122.0(3) . .
N2 C10 C13 115.9(3) . .
C9 C10 C13 122.0(3) . .
N3 C11 C12 124.4(4) . .
N3 C11 H11 117.8 . .
C12 C11 H11 117.8 . .
C13 C12 C11 119.8(3) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C12 C13 C14 115.8(3) . .
C12 C13 C10 123.8(3) . .
C14 C13 C10 120.4(3) . .
C15 C14 C13 120.0(3) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
N3 C15 C14 124.3(4) . .
N3 C15 H15 117.8 . .
C14 C15 H15 117.8 . .
C17 C16 C21 118.9(3) . .
C17 C16 C8 118.1(3) . .
C21 C16 C8 122.9(3) . .
C18 C17 C16 121.1(3) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C19 C18 C17 120.3(3) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 119.6(3) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C19 C20 C21 121.2(3) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C20 C21 C16 118.8(3) . .
C20 C21 C22 118.9(3) . .
C16 C21 C22 122.2(3) . .
O2 C22 O1 123.2(3) . .
O2 C22 C21 120.5(3) . .
O1 C22 C21 116.3(3) . .
N4 C23 C24 123.7(3) . .
N4 C23 H23 118.1 . .
C24 C23 H23 118.1 . .
C23 C24 C25 119.8(3) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C26 C25 C24 116.3(3) . .
C26 C25 C28 122.2(3) . .
C24 C25 C28 121.5(3) . .
C27 C26 C25 120.3(3) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
N4 C27 C26 123.2(3) . .
N4 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
N5 C28 C29 121.7(3) . .
N5 C28 C25 116.0(2) . .
C29 C28 C25 122.2(3) . .
C30 C29 C28 120.4(3) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C29 C30 C31 117.4(3) . .
C29 C30 C38 121.1(3) . .
C31 C30 C38 121.3(3) . .
C32 C31 C30 119.9(3) . .
C32 C31 H31 120.1 . .
C30 C31 H31 120.1 . .
N5 C32 C31 122.2(3) . .
N5 C32 C35 115.4(2) . .
C31 C32 C35 122.2(3) . .
N6 C33 C34 125.0(3) . .
N6 C33 H33 117.5 . .
C34 C33 H33 117.5 . .
C33 C34 C35 119.8(3) . .
C33 C34 H34 120.1 . .
C35 C34 H34 120.1 . .
C36 C35 C34 116.5(3) . .
C36 C35 C32 122.7(3) . .
C34 C35 C32 120.8(3) . .
C35 C36 C37 119.0(3) . .
C35 C36 H36 120.5 . .
C37 C36 H36 120.5 . .
N6 C37 C36 124.8(3) . .
N6 C37 H37 117.6 . .
C36 C37 H37 117.6 . .
C39 C38 C43 118.8(3) . .
C39 C38 C30 118.3(3) . .
C43 C38 C30 122.9(3) . .
C40 C39 C38 121.8(3) . .
C40 C39 H39 119.1 . .
C38 C39 H39 119.1 . .
C41 C40 C39 119.2(3) . .
C41 C40 H40 120.4 . .
C39 C40 H40 120.4 . .
C42 C41 C40 119.9(3) . .
C42 C41 H41 120.1 . .
C40 C41 H41 120.1 . .
C41 C42 C43 121.4(3) . .
C41 C42 H42 119.3 . .
C43 C42 H42 119.3 . .
C38 C43 C42 118.8(3) . .
C38 C43 C44 121.1(3) . .
C42 C43 C44 119.8(3) . .
O3 C44 O4 121.9(4) . .
O3 C44 C43 120.7(4) . .
O4 C44 C43 117.4(5) . .
O3 C44 Zn1 65.1(2) . 1_545
O4 C44 Zn1 56.8(2) . 1_545
C43 C44 Zn1 174.2(3) . 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.980(2) .
Zn1 N1 2.066(3) 1_665
Zn1 N4 2.071(3) .
Zn1 O4 2.120(4) 1_565
Zn1 O3 2.296(3) 1_565
Zn1 C44 2.527(4) 1_565
N1 C1 1.338(4) .
N1 C5 1.347(4) .
N1 Zn1 2.066(2) 1_445
N2 C10 1.338(4) .
N2 C6 1.345(4) .
N3 C11 1.323(5) .
N3 C15 1.329(5) .
N4 C23 1.331(4) .
N4 C27 1.336(4) .
N5 C32 1.346(4) .
N5 C28 1.346(4) .
N6 C33 1.330(4) .
N6 C37 1.335(4) .
O1 C22 1.284(4) .
O2 C22 1.231(4) .
O3 C44 1.217(5) .
O3 Zn1 2.296(3) 1_545
O4 C44 1.242(5) .
O4 Zn1 2.120(4) 1_545
C1 C2 1.366(4) .
C1 H1 0.9300 .
C2 C3 1.389(4) .
C2 H2 0.9300 .
C3 C4 1.388(4) .
C3 C6 1.482(4) .
C4 C5 1.365(4) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.388(4) .
C7 C8 1.382(4) .
C7 H7 0.9300 .
C8 C9 1.390(4) .
C8 C16 1.487(4) .
C9 C10 1.390(4) .
C9 H9 0.9300 .
C10 C13 1.485(4) .
C11 C12 1.382(5) .
C11 H11 0.9300 .
C12 C13 1.381(4) .
C12 H12 0.9300 .
C13 C14 1.389(4) .
C14 C15 1.373(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.390(4) .
C16 C21 1.406(4) .
C17 C18 1.374(5) .
C17 H17 0.9300 .
C18 C19 1.373(5) .
C18 H18 0.9300 .
C19 C20 1.380(5) .
C19 H19 0.9300 .
C20 C21 1.392(4) .
C20 H20 0.9300 .
C21 C22 1.500(4) .
C23 C24 1.373(4) .
C23 H23 0.9300 .
C24 C25 1.386(4) .
C24 H24 0.9300 .
C25 C26 1.385(4) .
C25 C28 1.479(4) .
C26 C27 1.372(4) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.394(4) .
C29 C30 1.376(4) .
C29 H29 0.9300 .
C30 C31 1.396(4) .
C30 C38 1.487(4) .
C31 C32 1.385(4) .
C31 H31 0.9300 .
C32 C35 1.491(4) .
C33 C34 1.366(4) .
C33 H33 0.9300 .
C34 C35 1.388(4) .
C34 H34 0.9300 .
C35 C36 1.382(4) .
C36 C37 1.386(5) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.385(4) .
C38 C43 1.392(4) .
C39 C40 1.380(4) .
C39 H39 0.9300 .
C40 C41 1.377(5) .
C40 H40 0.9300 .
C41 C42 1.369(5) .
C41 H41 0.9300 .
C42 C43 1.397(4) .
C42 H42 0.9300 .
C43 C44 1.532(5) .
C44 Zn1 2.527(4) 1_545
O5 O5 1.684(17) 2_566
O6 O6 1.31(2) 2_565
