#------------------------------------------------------------------------------
#$Date: 2017-07-14 07:56:23 +0300 (Fri, 14 Jul 2017) $
#$Revision: 198718 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/86/7228684.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_7228684
loop_
_publ_author_name
'Liu, Jie'
'Li, Pei-Xin'
'Zeng, Hui-Yi'
'Guo, Guo-Cong'
_publ_section_title
;
 Two new photochromic coordination compounds with nonphotochromic ligands
 and different metal centers
;
_journal_issue                   55
_journal_name_full               'RSC Adv.'
_journal_page_first              34901
_journal_paper_doi               10.1039/C7RA05352E
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety
;
1.5(C10 H8 N2)\"i?1/2\"i?1/24(C4 H5 O2)\"i?1/2\"i?1/22Zn\"i?1/2\"i?1/22(H2 O)
;
_chemical_formula_sum            'C31 H36 N3 O10 Zn2'
_chemical_formula_weight         741.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-04-05 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;
_cell_angle_alpha                99.745(3)
_cell_angle_beta                 91.795(3)
_cell_angle_gamma                91.783(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7660(3)
_cell_length_b                   11.3054(5)
_cell_length_c                   19.0411(7)
_cell_measurement_reflns_used    5430
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1645.71(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.800
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0130
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.948
_diffrn_reflns_Laue_measured_fraction_max 0.800
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15047
_diffrn_reflns_point_group_measured_fraction_full 0.948
_diffrn_reflns_point_group_measured_fraction_max 0.800
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.453
_diffrn_reflns_theta_min         1.829
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.517
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             766
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.948
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         7997
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1779
_refine_ls_wR_factor_ref         0.1832
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6708
_reflns_number_total             7997
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ra05352e2.cif
_cod_data_source_block           lj62
_cod_original_cell_volume        1645.72(11)
_cod_database_code               7228684
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Zn1 Zn 0.73768(4) 1.05161(3) 0.37470(2) 0.02834(12) Uani 1 1 d . .
Zn2 Zn -0.37587(4) 0.58036(3) 0.04609(2) 0.02695(12) Uani 1 1 d . .
N1 N -0.1789(3) 0.6782(2) 0.10421(12) 0.0269(5) Uani 1 1 d . .
N2 N 0.5308(3) 0.9697(2) 0.31372(13) 0.0304(5) Uani 1 1 d . .
N3 N 0.6388(3) 1.2144(2) 0.41992(13) 0.0315(5) Uani 1 1 d . .
O1 O 0.8132(4) 1.1801(3) 0.24874(16) 0.0606(7) Uani 1 1 d . .
O2 O 0.9425(3) 1.0784(2) 0.32393(13) 0.0444(5) Uani 1 1 d . .
O3 O 0.7641(3) 0.9863(2) 0.46417(12) 0.0434(5) Uani 1 1 d . .
O4 O 0.8537(4) 0.8359(2) 0.38598(12) 0.0502(6) Uani 1 1 d . .
O5 O -0.5191(3) 0.7151(2) 0.01318(12) 0.0405(5) Uani 1 1 d . .
O6 O -0.2638(3) 0.5488(2) -0.04922(11) 0.0421(5) Uani 1 1 d . .
O7 O -0.3106(3) 0.4081(2) 0.06546(14) 0.0477(6) Uani 1 1 d . .
O8 O -0.5505(3) 0.5721(2) 0.12163(12) 0.0425(5) Uani 1 1 d . .
C1 C -0.8669(5) 0.5380(4) 0.29825(19) 0.0604(10) Uani 1 1 d . .
H1C H -0.9834 0.5161 0.2817 0.091 Uiso 1 1 calc R U
H1B H -0.8640 0.6149 0.3289 0.091 Uiso 1 1 calc R U
H1A H -0.8238 0.4788 0.3242 0.091 Uiso 1 1 calc R U
C2 C -0.7572(4) 0.5448(3) 0.23603(16) 0.0407(7) Uani 1 1 d . .
H2 H -0.6485 0.5822 0.2451 0.049 Uiso 1 1 calc R U
C3 C -0.8033(4) 0.5016(3) 0.16902(16) 0.0355(6) Uani 1 1 d . .
H3 H -0.9121 0.4648 0.1590 0.043 Uiso 1 1 calc R U
C4 C -0.6882(4) 0.5094(2) 0.10907(14) 0.0302(5) Uani 1 1 d . .
C5 C -0.2205(6) -0.0166(4) 0.0528(3) 0.0683(12) Uani 1 1 d . .
H5C H -0.1504 -0.0555 0.0157 0.102 Uiso 1 1 calc R U
H5B H -0.3089 -0.0722 0.0626 0.102 Uiso 1 1 calc R U
H5A H -0.1501 0.0102 0.0952 0.102 Uiso 1 1 calc R U
C6 C -0.3022(4) 0.0893(3) 0.0290(2) 0.0460(8) Uani 1 1 d . .
H6 H -0.3730 0.0735 -0.0120 0.055 Uiso 1 1 calc R U
C7 C -0.2840(4) 0.2009(3) 0.06001(18) 0.0436(7) Uani 1 1 d . .
H7 H -0.2139 0.2172 0.1013 0.052 Uiso 1 1 calc R U
C8 C -0.3657(4) 0.3052(3) 0.03521(15) 0.0326(6) Uani 1 1 d . .
C11 C -0.0279(4) 0.6983(3) 0.07476(15) 0.0323(6) Uani 1 1 d . .
H11 H -0.0160 0.6705 0.0264 0.039 Uiso 1 1 calc R U
C12 C 0.1105(4) 0.7589(3) 0.11426(15) 0.0317(6) Uani 1 1 d . .
H12 H 0.2127 0.7719 0.0921 0.038 Uiso 1 1 calc R U
C13 C 0.0975(3) 0.8006(2) 0.18690(14) 0.0248(5) Uani 1 1 d . .
C14 C -0.0616(4) 0.7820(3) 0.21645(15) 0.0339(6) Uani 1 1 d . .
H14 H -0.0780 0.8108 0.2644 0.041 Uiso 1 1 calc R U
C15 C -0.1941(4) 0.7206(3) 0.17411(15) 0.0326(6) Uani 1 1 d . .
H15 H -0.2986 0.7079 0.1948 0.039 Uiso 1 1 calc R U
C16 C 0.5358(4) 0.9442(3) 0.24289(16) 0.0386(7) Uani 1 1 d . .
H16 H 0.6352 0.9653 0.2212 0.046 Uiso 1 1 calc R U
C17 C 0.3999(4) 0.8879(3) 0.20026(16) 0.0373(7) Uani 1 1 d . .
H17 H 0.4101 0.8701 0.1511 0.045 Uiso 1 1 calc R U
C18 C 0.2473(3) 0.8579(2) 0.23099(14) 0.0261(5) Uani 1 1 d . .
C19 C 0.2440(4) 0.8834(3) 0.30553(15) 0.0325(6) Uani 1 1 d . .
H19 H 0.1466 0.8629 0.3287 0.039 Uiso 1 1 calc R U
C20 C 0.3867(4) 0.9396(3) 0.34463(16) 0.0349(6) Uani 1 1 d . .
H20 H 0.3822 0.9569 0.3940 0.042 Uiso 1 1 calc R U
C21 C 1.3362(7) 1.2031(5) 0.1621(4) 0.097(2) Uani 1 1 d . .
H21C H 1.3516 1.1405 0.1222 0.146 Uiso 1 1 calc R U
H21B H 1.4192 1.1962 0.1995 0.146 Uiso 1 1 calc R U
H21A H 1.3520 1.2799 0.1477 0.146 Uiso 1 1 calc R U
C22 C 1.1570(6) 1.1915(5) 0.1889(3) 0.0761(14) Uani 1 1 d . .
H22 H 1.0655 1.2114 0.1609 0.091 Uiso 1 1 calc R U
C23 C 1.1221(6) 1.1563(4) 0.2471(2) 0.0575(10) Uani 1 1 d . .
H23 H 1.2146 1.1399 0.2757 0.069 Uiso 1 1 calc R U
C24 C 0.9430(4) 1.1389(3) 0.27376(17) 0.0401(7) Uani 1 1 d . .
C25 C 0.9408(5) 0.6366(3) 0.5599(2) 0.0541(9) Uani 1 1 d . .
H25C H 0.8667 0.5658 0.5524 0.081 Uiso 1 1 calc R U
H25B H 0.9171 0.6853 0.6047 0.081 Uiso 1 1 calc R U
H25A H 1.0589 0.6140 0.5603 0.081 Uiso 1 1 calc R U
C26 C 0.9094(4) 0.7061(3) 0.50126(18) 0.0417(7) Uani 1 1 d . .
H26 H 0.9268 0.6673 0.4551 0.050 Uiso 1 1 calc R U
C27 C 0.8592(4) 0.8172(3) 0.50895(16) 0.0376(6) Uani 1 1 d . .
H27 H 0.8443 0.8580 0.5549 0.045 Uiso 1 1 calc R U
C28 C 0.8250(4) 0.8816(3) 0.44843(16) 0.0330(6) Uani 1 1 d . .
C31 C 0.5942(5) 1.2960(3) 0.38038(16) 0.0444(8) Uani 1 1 d . .
H31 H 0.5992 1.2767 0.3310 0.053 Uiso 1 1 calc R U
C32 C 0.5411(5) 1.4077(3) 0.40991(17) 0.0451(8) Uani 1 1 d . .
H32 H 0.5136 1.4626 0.3804 0.054 Uiso 1 1 calc R U
C33 C 0.5279(3) 1.4400(2) 0.48317(14) 0.0292(5) Uani 1 1 d . .
C34 C 0.5695(5) 1.3526(3) 0.52400(17) 0.0422(7) Uani 1 1 d . .
H34 H 0.5596 1.3679 0.5732 0.051 Uiso 1 1 calc R U
C35 C 0.6257(4) 1.2427(3) 0.49055(17) 0.0413(7) Uani 1 1 d . .
H35 H 0.6556 1.1861 0.5185 0.050 Uiso 1 1 calc R U
O1W O 0.7205(6) 0.4217(3) 0.22524(19) 0.0795(10) Uani 1 1 d D .
O2W O 0.3696(4) 0.3643(3) 0.67846(19) 0.0730(9) Uani 1 1 d G .
H37A H 0.2885 0.3167 0.6588 0.109 Uiso 1 1 d G U
H37B H 0.3274 0.4235 0.7051 0.109 Uiso 1 1 d G U
H36A H 0.756(8) 0.355(2) 0.233(3) 0.17(4) Uiso 1 1 d D .
H36B H 0.725(8) 0.423(5) 0.1808(7) 0.11(2) Uiso 1 1 d 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
O2 Zn1 O3 118.11(10) . .
O2 Zn1 N2 115.99(10) . .
O3 Zn1 N2 110.80(10) . .
O2 Zn1 N3 110.31(10) . .
O3 Zn1 N3 96.53(9) . .
N2 Zn1 N3 102.04(9) . .
O6 Zn2 O8 159.88(9) . .
O6 Zn2 N1 98.67(9) . .
O8 Zn2 N1 101.32(9) . .
O6 Zn2 O5 90.60(9) . .
O8 Zn2 O5 87.70(10) . .
N1 Zn2 O5 101.44(9) . .
O6 Zn2 O7 90.44(10) . .
O8 Zn2 O7 84.39(10) . .
N1 Zn2 O7 98.48(9) . .
O5 Zn2 O7 159.66(9) . .
O6 Zn2 Zn2 75.75(6) . 2_465
O8 Zn2 Zn2 84.13(6) . 2_465
N1 Zn2 Zn2 172.54(7) . 2_465
O5 Zn2 Zn2 83.73(6) . 2_465
O7 Zn2 Zn2 76.85(7) . 2_465
C11 N1 C15 118.0(2) . .
C11 N1 Zn2 121.20(18) . .
C15 N1 Zn2 120.75(18) . .
C16 N2 C20 118.2(2) . .
C16 N2 Zn1 121.3(2) . .
C20 N2 Zn1 120.43(19) . .
C31 N3 C35 117.9(2) . .
C31 N3 Zn1 121.6(2) . .
C35 N3 Zn1 120.5(2) . .
C24 O2 Zn1 122.5(2) . .
C28 O3 Zn1 107.47(19) . .
C8 O5 Zn2 123.0(2) 2_465 .
C4 O6 Zn2 133.08(19) 2_465 .
C8 O7 Zn2 130.2(2) . .
C4 O8 Zn2 122.01(18) . .
C2 C1 H1C 109.5 . .
C2 C1 H1B 109.5 . .
H1C C1 H1B 109.5 . .
C2 C1 H1A 109.5 . .
H1C C1 H1A 109.5 . .
H1B C1 H1A 109.5 . .
C3 C2 C1 124.8(3) . .
C3 C2 H2 117.6 . .
C1 C2 H2 117.6 . .
C2 C3 C4 122.6(3) . .
C2 C3 H3 118.7 . .
C4 C3 H3 118.7 . .
O6 C4 O8 124.9(3) 2_465 .
O6 C4 C3 116.7(3) 2_465 .
O8 C4 C3 118.4(3) . .
C6 C5 H5C 109.5 . .
C6 C5 H5B 109.5 . .
H5C C5 H5B 109.5 . .
C6 C5 H5A 109.5 . .
H5C C5 H5A 109.5 . .
H5B C5 H5A 109.5 . .
C7 C6 C5 126.6(4) . .
C7 C6 H6 116.7 . .
C5 C6 H6 116.7 . .
C6 C7 C8 125.8(3) . .
C6 C7 H7 117.1 . .
C8 C7 H7 117.1 . .
O5 C8 O7 125.3(3) 2_465 .
O5 C8 C7 118.5(3) 2_465 .
O7 C8 C7 116.1(3) . .
N1 C11 C12 122.0(3) . .
N1 C11 H11 119.0 . .
C12 C11 H11 119.0 . .
C11 C12 C13 120.4(2) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C12 C13 C14 116.9(2) . .
C12 C13 C18 121.3(2) . .
C14 C13 C18 121.8(2) . .
C15 C14 C13 119.7(3) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
N1 C15 C14 122.9(3) . .
N1 C15 H15 118.6 . .
C14 C15 H15 118.6 . .
N2 C16 C17 122.9(3) . .
N2 C16 H16 118.5 . .
C17 C16 H16 118.5 . .
C16 C17 C18 120.0(3) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C19 116.7(2) . .
C17 C18 C13 121.5(2) . .
C19 C18 C13 121.8(2) . .
C20 C19 C18 119.7(3) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
N2 C20 C19 122.4(3) . .
N2 C20 H20 118.8 . .
C19 C20 H20 118.8 . .
C22 C21 H21C 109.5 . .
C22 C21 H21B 109.5 . .
H21C C21 H21B 109.5 . .
C22 C21 H21A 109.5 . .
H21C C21 H21A 109.5 . .
H21B C21 H21A 109.5 . .
C23 C22 C21 124.5(5) . .
C23 C22 H22 117.7 . .
C21 C22 H22 117.7 . .
C22 C23 C24 125.6(4) . .
C22 C23 H23 117.2 . .
C24 C23 H23 117.2 . .
O1 C24 O2 124.7(3) . .
O1 C24 C23 123.0(3) . .
O2 C24 C23 112.3(3) . .
C26 C25 H25C 109.5 . .
C26 C25 H25B 109.5 . .
H25C C25 H25B 109.5 . .
C26 C25 H25A 109.5 . .
H25C C25 H25A 109.5 . .
H25B C25 H25A 109.5 . .
C27 C26 C25 125.8(3) . .
C27 C26 H26 117.1 . .
C25 C26 H26 117.1 . .
C26 C27 C28 123.7(3) . .
C26 C27 H27 118.1 . .
C28 C27 H27 118.1 . .
O4 C28 O3 122.0(3) . .
O4 C28 C27 121.7(3) . .
O3 C28 C27 116.3(3) . .
N3 C31 C32 122.3(3) . .
N3 C31 H31 118.8 . .
C32 C31 H31 118.8 . .
C31 C32 C33 121.0(3) . .
C31 C32 H32 119.5 . .
C33 C32 H32 119.5 . .
C32 C33 C34 116.3(3) . .
C32 C33 C33 122.4(3) . 2_686
C34 C33 C33 121.3(3) . 2_686
C35 C34 C33 119.5(3) . .
C35 C34 H34 120.3 . .
C33 C34 H34 120.3 . .
N3 C35 C34 123.0(3) . .
N3 C35 H35 118.5 . .
C34 C35 H35 118.5 . .
H36A O1W H36B 109(6) . .
H37A O2W H37B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 1.929(2) .
Zn1 O3 1.975(2) .
Zn1 N2 2.053(2) .
Zn1 N3 2.077(2) .
Zn2 O6 2.019(2) .
Zn2 O8 2.019(2) .
Zn2 N1 2.040(2) .
Zn2 O5 2.082(2) .
Zn2 O7 2.116(2) .
Zn2 Zn2 2.9307(6) 2_465
N1 C11 1.345(4) .
N1 C15 1.346(4) .
N2 C16 1.333(4) .
N2 C20 1.342(4) .
N3 C31 1.333(4) .
N3 C35 1.337(4) .
O1 C24 1.239(4) .
O2 C24 1.266(4) .
O3 C28 1.280(4) .
O4 C28 1.244(4) .
O5 C8 1.251(4) 2_465
O6 C4 1.255(3) 2_465
O7 C8 1.262(4) .
O8 C4 1.258(3) .
C1 C2 1.491(4) .
C1 H1C 0.9600 .
C1 H1B 0.9600 .
C1 H1A 0.9600 .
C2 C3 1.321(4) .
C2 H2 0.9300 .
C3 C4 1.484(4) .
C3 H3 0.9300 .
C4 O6 1.255(3) 2_465
C5 C6 1.500(5) .
C5 H5C 0.9600 .
C5 H5B 0.9600 .
C5 H5A 0.9600 .
C6 C7 1.301(5) .
C6 H6 0.9300 .
C7 C8 1.494(4) .
C7 H7 0.9300 .
C8 O5 1.251(4) 2_465
C11 C12 1.386(4) .
C11 H11 0.9300 .
C12 C13 1.392(4) .
C12 H12 0.9300 .
C13 C14 1.398(4) .
C13 C18 1.478(4) .
C14 C15 1.380(4) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.381(4) .
C16 H16 0.9300 .
C17 C18 1.396(4) .
C17 H17 0.9300 .
C18 C19 1.401(4) .
C19 C20 1.390(4) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.506(6) .
C21 H21C 0.9600 .
C21 H21B 0.9600 .
C21 H21A 0.9600 .
C22 C23 1.274(6) .
C22 H22 0.9300 .
C23 C24 1.514(5) .
C23 H23 0.9300 .
C25 C26 1.488(5) .
C25 H25C 0.9600 .
C25 H25B 0.9600 .
C25 H25A 0.9600 .
C26 C27 1.313(4) .
C26 H26 0.9300 .
C27 C28 1.485(4) .
C27 H27 0.9300 .
C31 C32 1.374(4) .
C31 H31 0.9300 .
C32 C33 1.389(4) .
C32 H32 0.9300 .
C33 C34 1.396(4) .
C33 C33 1.483(5) 2_686
C34 C35 1.386(4) .
C34 H34 0.9300 .
C35 H35 0.9300 .
O1W H36A 0.8500(11) .
O1W H36B 0.8500(10) .
O2W H37A 0.8502 .
O2W H37B 0.8498 .
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
C1 C2 C3 C4 -179.2(3) . .
Zn2 O8 C4 O6 -3.7(4) . 2_465
Zn2 O8 C4 C3 175.7(2) . .
C2 C3 C4 O6 170.6(3) . 2_465
C2 C3 C4 O8 -8.8(5) . .
C5 C6 C7 C8 179.6(4) . .
Zn2 O7 C8 O5 -2.9(5) . 2_465
Zn2 O7 C8 C7 176.8(2) . .
C6 C7 C8 O5 11.0(5) . 2_465
C6 C7 C8 O7 -168.8(4) . .
C15 N1 C11 C12 0.9(4) . .
Zn2 N1 C11 C12 -176.4(2) . .
N1 C11 C12 C13 0.6(5) . .
C11 C12 C13 C14 -2.2(4) . .
C11 C12 C13 C18 175.6(3) . .
C12 C13 C14 C15 2.4(4) . .
C18 C13 C14 C15 -175.5(3) . .
C11 N1 C15 C14 -0.7(4) . .
Zn2 N1 C15 C14 176.6(2) . .
C13 C14 C15 N1 -1.0(5) . .
C20 N2 C16 C17 -0.3(5) . .
Zn1 N2 C16 C17 179.2(3) . .
N2 C16 C17 C18 1.6(5) . .
C16 C17 C18 C19 -2.4(4) . .
C16 C17 C18 C13 178.3(3) . .
C12 C13 C18 C17 9.3(4) . .
C14 C13 C18 C17 -173.0(3) . .
C12 C13 C18 C19 -170.0(3) . .
C14 C13 C18 C19 7.7(4) . .
C17 C18 C19 C20 2.0(4) . .
C13 C18 C19 C20 -178.7(3) . .
C16 N2 C20 C19 -0.1(5) . .
Zn1 N2 C20 C19 -179.6(2) . .
C18 C19 C20 N2 -0.8(5) . .
C21 C22 C23 C24 -177.3(5) . .
Zn1 O2 C24 O1 -5.0(5) . .
Zn1 O2 C24 C23 174.8(2) . .
C22 C23 C24 O1 -15.2(6) . .
C22 C23 C24 O2 165.0(5) . .
C25 C26 C27 C28 -178.3(3) . .
Zn1 O3 C28 O4 -1.7(4) . .
Zn1 O3 C28 C27 178.5(2) . .
C26 C27 C28 O4 -5.1(5) . .
C26 C27 C28 O3 174.7(3) . .
C35 N3 C31 C32 2.0(5) . .
Zn1 N3 C31 C32 -174.9(3) . .
N3 C31 C32 C33 -1.4(6) . .
C31 C32 C33 C34 -0.7(5) . .
C31 C32 C33 C33 179.6(4) . 2_686
C32 C33 C34 C35 2.1(5) . .
C33 C33 C34 C35 -178.2(3) 2_686 .
C31 N3 C35 C34 -0.5(5) . .
Zn1 N3 C35 C34 176.4(3) . .
C33 C34 C35 N3 -1.6(6) . .
