#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:18:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179659 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/12/4511282.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_4511282
loop_
_publ_author_name
'Ye, Han-Tao'
'Ren, Chang-Yue'
'Hou, Guang-Feng'
'Yu, Ying-Hui'
'Xu, Xin'
'Gao, Jin-Sheng'
'Yan, Peng-Fei'
'Ng, Seik-Weng'
_publ_section_title
;
 Syntheses, Structures, and Second-Order Nonlinear Optical Properties of
 Chiral Zinc(II) Coordination Polymers Based on
 (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the
 Second Ligand with Imidazole Group
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3309
_journal_paper_doi               10.1021/cg500197v
_journal_volume                  14
_journal_year                    2014
_chemical_absolute_configuration rm
_chemical_formula_moiety         '2(C36 H29 F N4 O6 Zn), (C H4 O)'
_chemical_formula_sum            'C73 H62 F2 N8 O13 Zn2'
_chemical_formula_weight         1428.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.068(3)
_cell_length_b                   15.168(3)
_cell_length_c                   17.457(4)
_cell_measurement_reflns_used    25667
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      3.15
_cell_volume                     3460.2(13)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0525
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33242
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.768
_exptl_absorpt_correction_T_max  0.8396
_exptl_absorpt_correction_T_min  0.7648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.176
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7840
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0497
_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)+(0.0860P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1420
_reflns_number_gt                6092
_reflns_number_total             7840
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500197v_si_002.cif
_cod_data_source_block           V
_cod_depositor_comments
'Adding full bibliography for 4511278--4511282.cif.'
_cod_original_cell_volume        3460.0(12)
_cod_database_code               4511282
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 0.6197(3) 0.8198(2) 0.0738(2) 0.0429(8) Uani 1 1 d .
H1 H 0.5815 0.8236 0.0289 0.052 Uiso 1 1 calc R
C2 C 0.7377(3) 0.7884(3) 0.1541(2) 0.0610(10) Uani 1 1 d .
H2 H 0.7978 0.7662 0.1752 0.073 Uiso 1 1 calc R
C3 C 0.6659(4) 0.8340(3) 0.1922(3) 0.0690(13) Uani 1 1 d .
H3 H 0.6669 0.8488 0.2439 0.083 Uiso 1 1 calc R
C4 C 0.4981(3) 0.9063(2) 0.1550(3) 0.0578(11) Uani 1 1 d .
H4A H 0.4727 0.8925 0.2058 0.069 Uiso 1 1 calc R
H4B H 0.4461 0.8889 0.1184 0.069 Uiso 1 1 calc R
C5 C 0.5142(3) 1.0048(2) 0.1492(2) 0.0448(8) Uani 1 1 d .
C6 C 0.4292(3) 1.0586(3) 0.1606(3) 0.0497(9) Uani 1 1 d .
H6 H 0.3661 1.0335 0.1719 0.060 Uiso 1 1 calc R
C7 C 0.4386(3) 1.1500(3) 0.1550(2) 0.0496(9) Uani 1 1 d .
H7 H 0.3810 1.1852 0.1616 0.060 Uiso 1 1 calc R
C8 C 0.5325(3) 1.1894(2) 0.1398(2) 0.0456(8) Uani 1 1 d .
C9 C 0.6159(3) 1.1350(3) 0.1278(3) 0.0520(10) Uani 1 1 d .
H9 H 0.6791 1.1598 0.1161 0.062 Uiso 1 1 calc R
C10 C 0.6068(3) 1.0435(2) 0.1328(3) 0.0521(10) Uani 1 1 d .
H10 H 0.6641 1.0083 0.1250 0.062 Uiso 1 1 calc R
C11 C 0.5427(3) 1.2873(2) 0.1344(2) 0.0460(8) Uani 1 1 d .
C12 C 0.4678(3) 1.3390(2) 0.1007(3) 0.0528(10) Uani 1 1 d .
H12 H 0.4084 1.3124 0.0825 0.063 Uiso 1 1 calc R
C13 C 0.4793(3) 1.4295(3) 0.0933(3) 0.0527(10) Uani 1 1 d .
H13 H 0.4276 1.4625 0.0705 0.063 Uiso 1 1 calc R
C14 C 0.5656(3) 1.4708(2) 0.1189(2) 0.0477(9) Uani 1 1 d .
C15 C 0.6421(3) 1.4217(2) 0.1545(3) 0.0501(10) Uani 1 1 d .
H15 H 0.7004 1.4494 0.1733 0.060 Uiso 1 1 calc R
C16 C 0.6303(3) 1.3297(3) 0.1616(3) 0.0497(9) Uani 1 1 d .
H16 H 0.6817 1.2967 0.1847 0.060 Uiso 1 1 calc R
C17 C 0.5834(3) 1.5697(3) 0.1085(3) 0.0550(11) Uani 1 1 d .
H17A H 0.6263 1.5910 0.1499 0.066 Uiso 1 1 calc R
H17B H 0.6199 1.5794 0.0608 0.066 Uiso 1 1 calc R
C18 C 0.4209(3) 1.6297(3) 0.1679(3) 0.0569(10) Uani 1 1 d .
H18 H 0.4258 1.6034 0.2159 0.068 Uiso 1 1 calc R
C19 C 0.3467(3) 1.6846(3) 0.1431(2) 0.0543(10) Uani 1 1 d .
H19 H 0.2916 1.7040 0.1723 0.065 Uiso 1 1 calc R
C20 C 0.4514(3) 1.6673(2) 0.0487(2) 0.0421(8) Uani 1 1 d .
H20 H 0.4822 1.6711 0.0008 0.051 Uiso 1 1 calc R
C21 C 0.9138(3) 0.6069(3) 0.0632(3) 0.0569(10) Uani 1 1 d .
C22 C 0.9820(3) 0.5261(3) 0.0718(2) 0.0517(9) Uani 1 1 d .
C23 C 0.9471(3) 0.4433(3) 0.0533(3) 0.0569(10) Uani 1 1 d .
H23 H 0.8791 0.4357 0.0391 0.068 Uiso 1 1 calc R
C24 C 1.0123(3) 0.3704(3) 0.0555(3) 0.0624(11) Uani 1 1 d .
H24 H 0.9878 0.3142 0.0447 0.075 Uiso 1 1 calc R
C25 C 1.1146(3) 0.3836(3) 0.0742(3) 0.0588(11) Uani 1 1 d .
C26 C 1.1447(3) 0.4655(3) 0.0967(4) 0.0750(15) Uani 1 1 d .
C27 C 1.0801(3) 0.5367(3) 0.0953(3) 0.0702(13) Uani 1 1 d .
H27 H 1.1035 0.5920 0.1103 0.084 Uiso 1 1 calc R
C28 C 1.1649(4) 0.2359(3) 0.0997(3) 0.0629(11) Uani 1 1 d .
C29 C 1.1376(4) 0.2300(3) 0.1738(3) 0.0746(14) Uani 1 1 d .
H29 H 1.1300 0.2810 0.2028 0.089 Uiso 1 1 calc R
C30 C 1.1214(5) 0.1515(3) 0.2060(3) 0.0771(15) Uani 1 1 d .
H30 H 1.1039 0.1485 0.2575 0.093 Uiso 1 1 calc R
C31 C 1.1304(4) 0.0737(3) 0.1635(3) 0.0644(13) Uani 1 1 d .
C32 C 1.1602(4) 0.0781(3) 0.0878(3) 0.0656(12) Uani 1 1 d .
H32 H 1.1677 0.0274 0.0584 0.079 Uiso 1 1 calc R
C33 C 1.1784(4) 0.1604(3) 0.0572(3) 0.0667(12) Uani 1 1 d .
H33 H 1.2003 0.1651 0.0067 0.080 Uiso 1 1 calc R
C34 C 1.0836(4) -0.0805(3) 0.1576(3) 0.0729(14) Uani 1 1 d .
H34 H 1.0369 -0.0626 0.1166 0.088 Uiso 1 1 calc R
C35 C 1.1770(3) -0.1253(3) 0.1224(3) 0.0510(9) Uani 1 1 d .
C36 C 1.0295(7) -0.1421(5) 0.2098(6) 0.138(3) Uani 1 1 d .
H36A H 1.0755 -0.1611 0.2494 0.208 Uiso 1 1 calc R
H36B H 1.0062 -0.1924 0.1813 0.208 Uiso 1 1 calc R
H36C H 0.9719 -0.1127 0.2325 0.208 Uiso 1 1 calc R
Zn1 Zn 0.77797(3) 0.71081(2) -0.00525(2) 0.04144(12) Uani 1 1 d .
F1 F 1.2413(3) 0.4750(3) 0.1191(5) 0.194(3) Uani 1 1 d .
N1 N 0.7082(2) 0.77975(19) 0.07941(17) 0.0438(6) Uani 1 1 d .
N2 N 0.5913(2) 0.85456(19) 0.14074(19) 0.0450(7) Uani 1 1 d .
N3 N 0.3648(2) 1.7077(2) 0.06815(17) 0.0426(6) Uani 1 1 d .
N4 N 0.4878(2) 1.62067(19) 0.10730(19) 0.0450(7) Uani 1 1 d .
O1 O 0.8290(2) 0.5956(2) 0.0317(2) 0.0702(9) Uani 1 1 d .
O2 O 0.9479(3) 0.6810(2) 0.0823(3) 0.0818(11) Uani 1 1 d .
O3 O 1.1882(3) 0.3180(2) 0.0667(3) 0.0813(11) Uani 1 1 d .
O4 O 1.1111(3) -0.0038(2) 0.2026(2) 0.0855(11) Uani 1 1 d .
O5 O 1.15714(19) -0.17206(19) 0.06313(16) 0.0510(6) Uani 1 1 d .
O6 O 1.2620(3) -0.1159(2) 0.1508(2) 0.0722(9) Uani 1 1 d .
C37 C 0.871(4) 0.130(3) 0.178(3) 0.32(2) Uiso 0.50 1 d PD
O7 O 0.867(3) 0.053(3) 0.124(3) 0.45(2) Uiso 0.50 1 d PD
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'
F F 0.0171 0.0103 '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 N2 111.2(3) . .
N1 C1 H1 124.4 . .
N2 C1 H1 124.4 . .
C3 C2 N1 109.0(4) . .
C3 C2 H2 125.5 . .
N1 C2 H2 125.5 . .
C2 C3 N2 107.0(4) . .
C2 C3 H3 126.5 . .
N2 C3 H3 126.5 . .
N2 C4 C5 113.6(3) . .
N2 C4 H4A 108.8 . .
C5 C4 H4A 108.8 . .
N2 C4 H4B 108.8 . .
C5 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
C10 C5 C6 118.7(3) . .
C10 C5 C4 124.0(3) . .
C6 C5 C4 117.3(3) . .
C5 C6 C7 120.2(4) . .
C5 C6 H6 119.9 . .
C7 C6 H6 119.9 . .
C8 C7 C6 121.2(3) . .
C8 C7 H7 119.4 . .
C6 C7 H7 119.4 . .
C9 C8 C7 117.9(3) . .
C9 C8 C11 120.9(4) . .
C7 C8 C11 121.2(3) . .
C8 C9 C10 121.1(4) . .
C8 C9 H9 119.4 . .
C10 C9 H9 119.4 . .
C5 C10 C9 120.9(3) . .
C5 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
C12 C11 C16 117.5(3) . .
C12 C11 C8 121.8(4) . .
C16 C11 C8 120.6(3) . .
C11 C12 C13 121.6(4) . .
C11 C12 H12 119.2 . .
C13 C12 H12 119.2 . .
C14 C13 C12 120.9(4) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C15 119.5(3) . .
C13 C14 C17 122.5(3) . .
C15 C14 C17 117.9(4) . .
C14 C15 C16 119.4(4) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
C11 C16 C15 121.0(3) . .
C11 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
N4 C17 C14 112.8(3) . .
N4 C17 H17A 109.0 . .
C14 C17 H17A 109.0 . .
N4 C17 H17B 109.0 . .
C14 C17 H17B 109.0 . .
H17A C17 H17B 107.8 . .
C19 C18 N4 105.7(4) . .
C19 C18 H18 127.1 . .
N4 C18 H18 127.1 . .
C18 C19 N3 109.8(4) . .
C18 C19 H19 125.1 . .
N3 C19 H19 125.1 . .
N3 C20 N4 110.7(3) . .
N3 C20 H20 124.7 . .
N4 C20 H20 124.7 . .
O1 C21 O2 123.8(4) . .
O1 C21 C22 116.9(4) . .
O2 C21 C22 119.1(4) . .
C27 C22 C23 119.6(4) . .
C27 C22 C21 119.2(4) . .
C23 C22 C21 121.2(4) . .
C22 C23 C24 121.0(4) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C25 C24 C23 118.6(4) . .
C25 C24 H24 120.7 . .
C23 C24 H24 120.7 . .
C26 C25 C24 118.5(4) . .
C26 C25 O3 118.7(4) . .
C24 C25 O3 122.7(4) . .
F1 C26 C25 117.3(4) . .
F1 C26 C27 120.3(5) . .
C25 C26 C27 122.4(4) . .
C22 C27 C26 119.6(5) . .
C22 C27 H27 120.2 . .
C26 C27 H27 120.2 . .
C29 C28 C33 119.8(5) . .
C29 C28 O3 120.7(5) . .
C33 C28 O3 119.2(5) . .
C30 C29 C28 120.5(5) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C29 C30 C31 121.1(5) . .
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 . .
C32 C31 O4 124.5(4) . .
C32 C31 C30 119.4(5) . .
O4 C31 C30 116.1(4) . .
C33 C32 C31 117.6(4) . .
C33 C32 H32 121.2 . .
C31 C32 H32 121.2 . .
C28 C33 C32 121.5(5) . .
C28 C33 H33 119.2 . .
C32 C33 H33 119.2 . .
O4 C34 C36 107.0(5) . .
O4 C34 C35 112.2(4) . .
C36 C34 C35 110.4(5) . .
O4 C34 H34 109.1 . .
C36 C34 H34 109.1 . .
C35 C34 H34 109.1 . .
O6 C35 O5 125.1(4) . .
O6 C35 C34 120.7(4) . .
O5 C35 C34 114.2(4) . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O5 Zn1 O1 100.04(13) 4_455 .
O5 Zn1 N3 110.96(12) 4_455 4_575
O1 Zn1 N3 122.15(13) . 4_575
O5 Zn1 N1 99.66(11) 4_455 .
O1 Zn1 N1 111.67(14) . .
N3 Zn1 N1 109.64(13) 4_575 .
C1 N1 C2 106.1(3) . .
C1 N1 Zn1 125.5(3) . .
C2 N1 Zn1 128.2(3) . .
C1 N2 C3 106.8(3) . .
C1 N2 C4 126.1(4) . .
C3 N2 C4 127.1(4) . .
C20 N3 C19 105.7(3) . .
C20 N3 Zn1 128.7(3) . 4_475
C19 N3 Zn1 125.5(3) . 4_475
C20 N4 C18 108.0(3) . .
C20 N4 C17 126.4(3) . .
C18 N4 C17 125.5(4) . .
C21 O1 Zn1 108.7(3) . .
C25 O3 C28 116.5(4) . .
C31 O4 C34 117.4(4) . .
C35 O5 Zn1 114.8(2) . 4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.311(5) .
C1 N2 1.335(5) .
C1 H1 0.9300 .
C2 C3 1.343(6) .
C2 N1 1.366(5) .
C2 H2 0.9300 .
C3 N2 1.361(6) .
C3 H3 0.9300 .
C4 N2 1.471(5) .
C4 C5 1.511(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C10 1.375(5) .
C5 C6 1.392(5) .
C6 C7 1.395(5) .
C6 H6 0.9300 .
C7 C8 1.391(5) .
C7 H7 0.9300 .
C8 C9 1.382(5) .
C8 C11 1.494(5) .
C9 C10 1.395(5) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.386(5) .
C11 C16 1.397(5) .
C12 C13 1.387(5) .
C12 H12 0.9300 .
C13 C14 1.365(6) .
C13 H13 0.9300 .
C14 C15 1.393(5) .
C14 C17 1.528(5) .
C15 C16 1.409(5) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 N4 1.469(5) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.349(6) .
C18 N4 1.379(5) .
C18 H18 0.9300 .
C19 N3 1.375(5) .
C19 H19 0.9300 .
C20 N3 1.331(4) .
C20 N4 1.331(5) .
C20 H20 0.9300 .
C21 O1 1.249(6) .
C21 O2 1.253(6) .
C21 C22 1.524(5) .
C22 C27 1.355(6) .
C22 C23 1.375(6) .
C23 C24 1.397(6) .
C23 H23 0.9300 .
C24 C25 1.390(7) .
C24 H24 0.9300 .
C25 C26 1.361(7) .
C25 O3 1.391(5) .
C26 F1 1.330(6) .
C26 C27 1.371(6) .
C27 H27 0.9300 .
C28 C29 1.344(7) .
C28 C33 1.375(6) .
C28 O3 1.405(6) .
C29 C30 1.333(7) .
C29 H29 0.9300 .
C30 C31 1.399(7) .
C30 H30 0.9300 .
C31 C32 1.379(7) .
C31 O4 1.382(6) .
C32 C33 1.378(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 O4 1.448(6) .
C34 C36 1.484(8) .
C34 C35 1.525(6) .
C34 H34 0.9800 .
C35 O6 1.225(5) .
C35 O5 1.281(5) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
Zn1 O5 1.964(3) 4_455
Zn1 O1 1.979(3) .
Zn1 N3 2.005(3) 4_575
Zn1 N1 2.027(3) .
N3 Zn1 2.005(3) 4_475
O5 Zn1 1.964(3) 4
C37 O7 1.503(10) .
