# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1523782'
_audit_update_record             
;
2016-12-21 deposited with the CCDC.
2017-04-11 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            usu223
_chemical_formula_moiety         'C29 H19 Cl N2 O7 Zn'
_chemical_formula_sum            'C29 H19 Cl N2 O7 Zn'
_chemical_formula_iupac          ?
_chemical_formula_weight         608.30

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.2518(2)
_cell_length_b                   14.8377(4)
_cell_length_c                   20.0844(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.219(2)
_cell_angle_gamma                90
_cell_volume                     2457.24(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9748
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      30.04
_cell_measurement_temperature    150(1)

_exptl_crystal_description       plate
_exptl_crystal_colour            'translucent light orange'
_exptl_crystal_size_max          0.392
_exptl_crystal_size_mid          0.168
_exptl_crystal_size_min          0.140
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240

_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
Sheldrick, G. M. (2014). SADABS V2014/4 BRUKER AXS Inc. Madison WI 53711 USA
;
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_T_max  0.85

_exptl_special_details           
;
;

_diffrn_ambient_temperature      150(1)

_diffrn_source                   'fine-focus tube'
_diffrn_source_type              'Siemans KFFMO2K-90'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker Kappa APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            51427
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_full        30.03
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       25

_refine_special_details          
;
;

_reflns_number_total             7184
_reflns_number_gt                6280
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0318
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0897
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.069
_refine_ls_number_reflns         7184
_refine_ls_number_parameters     370
_refine_ls_number_restraints     4
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0468P)²+1.3586P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.263
_refine_diff_density_min         -0.371
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       
'Bruker Instrument Service 2014.9.0.0 (Bruker AXS Inc.)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014/9 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    
'ORTEP-3 (L. J. Farrugia, J. Appl. Cryst. (2012),45, 849-854.)'
_computing_publication_material  'APEX2 v2014.9-0 (Bruker AXS Inc.)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.59754(2) 0.53454(2) 0.56247(2) 0.02169(6) Uani d . . . 1.0 . .
Cl Cl1 0.85833(11) 0.69805(4) 0.63753(2) 0.02940(17) Uani d . P . 0.914(3) A 1
O O4 0.82191(17) 0.63689(9) 0.58229(7) 0.0390(3) Uani d . . D 1.0 . .
O O5 0.7189(2) 0.75337(11) 0.64774(10) 0.0539(5) Uani d . P . 0.914(3) . .
O O6 0.9899(2) 0.75485(13) 0.62043(9) 0.0625(5) Uani d . . D 1.0 . .
O O7 0.8920(2) 0.64880(12) 0.69701(8) 0.0589(5) Uani d . . D 1.0 . .
Cl Cl1' 0.9193(12) 0.6815(5) 0.6351(3) 0.0363(17) Uiso d . P D 0.086(3) A 2
O O5' 1.087(2) 0.6622(19) 0.6340(13) 0.079(8) Uiso d . P D 0.086(3) A 2
O O1 0.45904(13) 0.64999(7) 0.55458(5) 0.0203(2) Uani d . . . 1.0 . .
O O2 0.61026(12) 0.55664(7) 0.46293(5) 0.01800(19) Uani d . . . 1.0 . .
O O3 0.57216(13) 0.77708(7) 0.38383(5) 0.0198(2) Uani d . . . 1.0 . .
N N1 0.76576(15) 0.43101(9) 0.57992(6) 0.0208(2) Uani d . . . 1.0 . .
N N2 0.57961(16) 0.51842(9) 0.66298(6) 0.0210(2) Uani d . . . 1.0 . .
C C1 0.57878(16) 0.64358(9) 0.45098(6) 0.0165(2) Uani d . . . 1.0 . .
C C2 0.49034(17) 0.69024(9) 0.50163(6) 0.0169(2) Uani d . . . 1.0 . .
C C3 0.43688(17) 0.78099(9) 0.48797(6) 0.0173(2) Uani d . . . 1.0 . .
C C4 0.34186(17) 0.82836(9) 0.53154(7) 0.0192(3) Uani d . . . 1.0 . .
H H4 0.3101 0.8006 0.5716 0.023 Uiso calc U . R 1.0 . .
C C5 0.29258(17) 0.91640(9) 0.51700(7) 0.0187(2) Uani d . . . 1.0 . .
C C6 0.19822(19) 0.96664(10) 0.56182(8) 0.0248(3) Uani d . . . 1.0 . .
H H6 0.1658 0.9397 0.6021 0.03 Uiso calc U . R 1.0 . .
C C7 0.1542(2) 1.05308(12) 0.54721(8) 0.0296(3) Uani d . . . 1.0 . .
H H7 0.0907 1.086 0.5773 0.036 Uiso calc U . R 1.0 . .
C C8 0.2023(2) 1.09431(11) 0.48751(8) 0.0273(3) Uani d . . . 1.0 . .
H H8 0.1715 1.1548 0.4782 0.033 Uiso calc U . R 1.0 . .
C C9 0.29214(18) 1.04829(10) 0.44330(7) 0.0214(3) Uani d . . . 1.0 . .
H H9 0.3238 1.0772 0.4036 0.026 Uiso calc U . R 1.0 . .
C C10 0.33910(17) 0.95737(9) 0.45593(7) 0.0180(2) Uani d . . . 1.0 . .
C C11 0.43127(17) 0.90799(9) 0.41123(7) 0.0193(3) Uani d . . . 1.0 . .
H H11 0.4603 0.9339 0.3701 0.023 Uiso calc U . R 1.0 . .
C C12 0.47914(17) 0.82154(9) 0.42770(6) 0.0176(2) Uani d . . . 1.0 . .
C C13 0.61921(16) 0.68938(9) 0.39416(6) 0.0170(2) Uani d . . . 1.0 . .
C C14 0.71125(16) 0.65617(10) 0.33798(7) 0.0187(3) Uani d . . . 1.0 . .
C C15 0.71751(19) 0.70864(11) 0.27990(7) 0.0241(3) Uani d . . . 1.0 . .
H H15 0.6592 0.7638 0.2767 0.029 Uiso calc U . R 1.0 . .
C C16 0.8087(2) 0.68016(12) 0.22711(8) 0.0300(3) Uani d . . . 1.0 . .
H H16 0.8134 0.7162 0.1882 0.036 Uiso calc U . R 1.0 . .
C C17 0.8927(2) 0.59955(13) 0.23100(8) 0.0312(3) Uani d . . . 1.0 . .
H H17 0.9549 0.5805 0.1947 0.037 Uiso calc U . R 1.0 . .
C C18 0.8864(2) 0.54655(12) 0.28764(9) 0.0288(3) Uani d . . . 1.0 . .
H H18 0.944 0.4911 0.2901 0.035 Uiso calc U . R 1.0 . .
C C19 0.79590(18) 0.57433(10) 0.34103(7) 0.0232(3) Uani d . . . 1.0 . .
H H19 0.7915 0.5376 0.3797 0.028 Uiso calc U . R 1.0 . .
C C20 0.85798(19) 0.39093(11) 0.53515(8) 0.0276(3) Uani d . . . 1.0 . .
H H20 0.8692 0.4185 0.4929 0.033 Uiso calc U . R 1.0 . .
C C21 0.9373(2) 0.31053(13) 0.54866(10) 0.0383(4) Uani d . . . 1.0 . .
H H21 1.004 0.2837 0.5166 0.046 Uiso calc U . R 1.0 . .
C C22 0.9175(2) 0.27016(13) 0.60970(11) 0.0425(5) Uani d . . . 1.0 . .
H H22 0.9673 0.2137 0.6193 0.051 Uiso calc U . R 1.0 . .
C C23 0.8255(2) 0.31160(11) 0.65687(9) 0.0337(4) Uani d . . . 1.0 . .
H H23 0.8121 0.2847 0.6992 0.04 Uiso calc U . R 1.0 . .
C C24 0.75310(18) 0.39368(10) 0.64072(7) 0.0221(3) Uani d . . . 1.0 . .
C C25 0.65841(18) 0.44678(11) 0.68855(7) 0.0220(3) Uani d . . . 1.0 . .
C C26 0.6527(2) 0.42646(15) 0.75587(8) 0.0351(4) Uani d . . . 1.0 . .
H H26 0.709 0.3757 0.7739 0.042 Uiso calc U . R 1.0 . .
C C27 0.5634(2) 0.48157(18) 0.79622(8) 0.0453(5) Uani d . . . 1.0 . .
H H27 0.5576 0.4686 0.8424 0.054 Uiso calc U . R 1.0 . .
C C28 0.4832(2) 0.55493(17) 0.76954(8) 0.0406(5) Uani d . . . 1.0 . .
H H28 0.4216 0.5933 0.7967 0.049 Uiso calc U . R 1.0 . .
C C29 0.4941(2) 0.57166(13) 0.70215(8) 0.0294(3) Uani d . . . 1.0 . .
H H29 0.4393 0.6224 0.6832 0.035 Uiso calc U . R 1.0 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 O2 . 2.0327(10) ?
Zn1 N2 . 2.0439(12) ?
Zn1 O1 . 2.0619(10) ?
Zn1 N1 . 2.0909(12) ?
Zn1 O2 3_666 2.2278(11) ?
Zn1 O4 . 2.4157(13) ?
Zn1 Zn1 3_666 3.1025(4) ?
Cl1 O7 . 1.4186(16) ?
Cl1 O6 . 1.4270(17) ?
Cl1 O5 . 1.4346(19) ?
Cl1 O4 . 1.4557(13) ?
O4 Cl1' . 1.464(7) ?
O5 Cl1' . 1.992(11) ?
O6 Cl1' . 1.275(6) ?
O6 O5' . 1.61(2) ?
O7 Cl1' . 1.361(6) ?
Cl1' O5' . 1.413(17) ?
O1 C2 . 1.2554(16) ?
O2 C1 . 1.3358(16) ?
O2 Zn1 3_666 2.2278(10) ?
O3 C12 . 1.3613(16) ?
O3 C13 . 1.3715(16) ?
N1 C20 . 1.340(2) ?
N1 C24 . 1.3486(19) ?
N2 C29 . 1.336(2) ?
N2 C25 . 1.338(2) ?
C1 C13 . 1.3801(18) ?
C1 C2 . 1.4506(18) ?
C2 C3 . 1.4401(18) ?
C3 C4 . 1.3885(19) ?
C3 C12 . 1.4076(18) ?
C4 C5 . 1.3957(19) ?
C4 H4 . 0.95 ?
C5 C6 . 1.424(2) ?
C5 C10 . 1.4346(19) ?
C6 C7 . 1.362(2) ?
C6 H6 . 0.95 ?
C7 C8 . 1.416(2) ?
C7 H7 . 0.95 ?
C8 C9 . 1.362(2) ?
C8 H8 . 0.95 ?
C9 C10 . 1.4237(19) ?
C9 H9 . 0.95 ?
C10 C11 . 1.4051(19) ?
C11 C12 . 1.3786(19) ?
C11 H11 . 0.95 ?
C13 C14 . 1.4693(18) ?
C14 C19 . 1.401(2) ?
C14 C15 . 1.4052(19) ?
C15 C16 . 1.390(2) ?
C15 H15 . 0.95 ?
C16 C17 . 1.383(3) ?
C16 H16 . 0.95 ?
C17 C18 . 1.385(3) ?
C17 H17 . 0.95 ?
C18 C19 . 1.393(2) ?
C18 H18 . 0.95 ?
C19 H19 . 0.95 ?
C20 C21 . 1.382(2) ?
C20 H20 . 0.95 ?
C21 C22 . 1.380(3) ?
C21 H21 . 0.95 ?
C22 C23 . 1.381(3) ?
C22 H22 . 0.95 ?
C23 C24 . 1.389(2) ?
C23 H23 . 0.95 ?
C24 C25 . 1.487(2) ?
C25 C26 . 1.388(2) ?
C26 C27 . 1.384(3) ?
C26 H26 . 0.95 ?
C27 C28 . 1.372(3) ?
C27 H27 . 0.95 ?
C28 C29 . 1.382(2) ?
C28 H28 . 0.95 ?
C29 H29 . 0.95 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Zn1 N2 . . 177.18(5) ?
O2 Zn1 O1 . . 80.79(4) ?
N2 Zn1 O1 . . 96.43(5) ?
O2 Zn1 N1 . . 102.96(4) ?
N2 Zn1 N1 . . 79.71(5) ?
O1 Zn1 N1 . . 170.28(5) ?
O2 Zn1 O2 . 3_666 86.64(4) ?
N2 Zn1 O2 . 3_666 94.04(4) ?
O1 Zn1 O2 . 3_666 93.87(4) ?
N1 Zn1 O2 . 3_666 95.30(4) ?
O2 Zn1 O4 . . 89.55(5) ?
N2 Zn1 O4 . . 89.72(5) ?
O1 Zn1 O4 . . 84.80(5) ?
N1 Zn1 O4 . . 86.25(5) ?
O2 Zn1 O4 3_666 . 176.13(4) ?
O2 Zn1 Zn1 . 3_666 45.79(3) ?
N2 Zn1 Zn1 . 3_666 134.83(4) ?
O1 Zn1 Zn1 . 3_666 86.77(3) ?
N1 Zn1 Zn1 . 3_666 102.31(3) ?
O2 Zn1 Zn1 3_666 3_666 40.85(2) ?
O4 Zn1 Zn1 . 3_666 135.34(3) ?
O7 Cl1 O6 . . 112.40(12) ?
O7 Cl1 O5 . . 107.83(13) ?
O6 Cl1 O5 . . 108.58(12) ?
O7 Cl1 O4 . . 110.41(10) ?
O6 Cl1 O4 . . 108.74(10) ?
O5 Cl1 O4 . . 108.81(10) ?
Cl1 O4 Zn1 . . 130.68(9) ?
Cl1' O4 Zn1 . . 143.1(3) ?
Cl1' O6 O5' . . 57.3(9) ?
O6 Cl1' O7 . . 127.5(5) ?
O6 Cl1' O5' . . 73.3(12) ?
O7 Cl1' O5' . . 98.0(13) ?
O6 Cl1' O4 . . 117.5(5) ?
O7 Cl1' O4 . . 113.3(4) ?
O5' Cl1' O4 . . 114.0(13) ?
O6 Cl1' O5 . . 87.8(5) ?
O7 Cl1' O5 . . 84.7(5) ?
O5' Cl1' O5 . . 158.2(12) ?
O4 Cl1' O5 . . 84.2(5) ?
Cl1' O5' O6 . . 49.4(7) ?
C2 O1 Zn1 . . 109.19(9) ?
C1 O2 Zn1 . . 108.39(8) ?
C1 O2 Zn1 . 3_666 113.75(8) ?
Zn1 O2 Zn1 . 3_666 93.36(4) ?
C12 O3 C13 . . 121.70(10) ?
C20 N1 C24 . . 119.44(14) ?
C20 N1 Zn1 . . 127.18(11) ?
C24 N1 Zn1 . . 112.29(10) ?
C29 N2 C25 . . 120.24(13) ?
C29 N2 Zn1 . . 124.94(11) ?
C25 N2 Zn1 . . 114.79(10) ?
O2 C1 C13 . . 124.92(12) ?
O2 C1 C2 . . 115.75(11) ?
C13 C1 C2 . . 119.29(12) ?
O1 C2 C3 . . 122.33(12) ?
O1 C2 C1 . . 119.52(12) ?
C3 C2 C1 . . 118.12(12) ?
C4 C3 C12 . . 119.37(12) ?
C4 C3 C2 . . 121.97(12) ?
C12 C3 C2 . . 118.64(12) ?
C3 C4 C5 . . 120.59(12) ?
C3 C4 H4 . . 119.7 ?
C5 C4 H4 . . 119.7 ?
C4 C5 C6 . . 121.32(13) ?
C4 C5 C10 . . 119.35(12) ?
C6 C5 C10 . . 119.33(13) ?
C7 C6 C5 . . 120.31(14) ?
C7 C6 H6 . . 119.8 ?
C5 C6 H6 . . 119.8 ?
C6 C7 C8 . . 120.53(15) ?
C6 C7 H7 . . 119.7 ?
C8 C7 H7 . . 119.7 ?
C9 C8 C7 . . 120.84(14) ?
C9 C8 H8 . . 119.6 ?
C7 C8 H8 . . 119.6 ?
C8 C9 C10 . . 120.68(14) ?
C8 C9 H9 . . 119.7 ?
C10 C9 H9 . . 119.7 ?
C11 C10 C9 . . 122.05(13) ?
C11 C10 C5 . . 119.65(12) ?
C9 C10 C5 . . 118.29(13) ?
C12 C11 C10 . . 119.28(12) ?
C12 C11 H11 . . 120.4 ?
C10 C11 H11 . . 120.4 ?
O3 C12 C11 . . 117.33(12) ?
O3 C12 C3 . . 120.93(12) ?
C11 C12 C3 . . 121.72(12) ?
O3 C13 C1 . . 121.07(12) ?
O3 C13 C14 . . 110.72(11) ?
C1 C13 C14 . . 128.21(13) ?
C19 C14 C15 . . 118.83(13) ?
C19 C14 C13 . . 121.92(13) ?
C15 C14 C13 . . 119.24(13) ?
C16 C15 C14 . . 120.22(15) ?
C16 C15 H15 . . 119.9 ?
C14 C15 H15 . . 119.9 ?
C17 C16 C15 . . 120.32(15) ?
C17 C16 H16 . . 119.8 ?
C15 C16 H16 . . 119.8 ?
C16 C17 C18 . . 120.18(14) ?
C16 C17 H17 . . 119.9 ?
C18 C17 H17 . . 119.9 ?
C17 C18 C19 . . 120.16(16) ?
C17 C18 H18 . . 119.9 ?
C19 C18 H18 . . 119.9 ?
C18 C19 C14 . . 120.28(14) ?
C18 C19 H19 . . 119.9 ?
C14 C19 H19 . . 119.9 ?
N1 C20 C21 . . 121.88(17) ?
N1 C20 H20 . . 119.1 ?
C21 C20 H20 . . 119.1 ?
C22 C21 C20 . . 118.53(17) ?
C22 C21 H21 . . 120.7 ?
C20 C21 H21 . . 120.7 ?
C21 C22 C23 . . 120.22(16) ?
C21 C22 H22 . . 119.9 ?
C23 C22 H22 . . 119.9 ?
C22 C23 C24 . . 118.22(17) ?
C22 C23 H23 . . 120.9 ?
C24 C23 H23 . . 120.9 ?
N1 C24 C23 . . 121.58(15) ?
N1 C24 C25 . . 115.36(13) ?
C23 C24 C25 . . 123.06(15) ?
N2 C25 C26 . . 120.80(16) ?
N2 C25 C24 . . 115.63(12) ?
C26 C25 C24 . . 123.55(15) ?
C27 C26 C25 . . 118.77(17) ?
C27 C26 H26 . . 120.6 ?
C25 C26 H26 . . 120.6 ?
C28 C27 C26 . . 119.98(16) ?
C28 C27 H27 . . 120.0 ?
C26 C27 H27 . . 120.0 ?
C27 C28 C29 . . 118.44(18) ?
C27 C28 H28 . . 120.8 ?
C29 C28 H28 . . 120.8 ?
N2 C29 C28 . . 121.77(18) ?
N2 C29 H29 . . 119.1 ?
C28 C29 H29 . . 119.1 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O7 Cl1 O4 Zn1 . . . . 66.04(16) ?
O6 Cl1 O4 Zn1 . . . . -170.21(12) ?
O5 Cl1 O4 Zn1 . . . . -52.11(15) ?
O5' O6 Cl1' O7 . . . . 87.3(15) ?
O5' O6 Cl1' O4 . . . . -108.8(14) ?
O5' O6 Cl1' O5 . . . . 168.9(12) ?
Zn1 O4 Cl1' O6 . . . . -155.3(3) ?
Zn1 O4 Cl1' O7 . . . . 10.9(12) ?
Zn1 O4 Cl1' O5' . . . . 121.8(13) ?
Zn1 O4 Cl1' O5 . . . . -70.8(6) ?
O7 Cl1' O5' O6 . . . . -126.9(6) ?
O4 Cl1' O5' O6 . . . . 113.2(7) ?
O5 Cl1' O5' O6 . . . . -31.(3) ?
Zn1 O2 C1 C13 . . . . 160.95(12) ?
Zn1 O2 C1 C13 3_666 . . . -96.71(14) ?
Zn1 O2 C1 C2 . . . . -21.29(14) ?
Zn1 O2 C1 C2 3_666 . . . 81.05(12) ?
Zn1 O1 C2 C3 . . . . -167.96(11) ?
Zn1 O1 C2 C1 . . . . 14.13(16) ?
O2 C1 C2 O1 . . . . 4.98(19) ?
C13 C1 C2 O1 . . . . -177.13(13) ?
O2 C1 C2 C3 . . . . -173.02(12) ?
C13 C1 C2 C3 . . . . 4.9(2) ?
O1 C2 C3 C4 . . . . -2.5(2) ?
C1 C2 C3 C4 . . . . 175.40(13) ?
O1 C2 C3 C12 . . . . 179.17(13) ?
C1 C2 C3 C12 . . . . -2.89(19) ?
C12 C3 C4 C5 . . . . -2.0(2) ?
C2 C3 C4 C5 . . . . 179.72(13) ?
C3 C4 C5 C6 . . . . -178.57(14) ?
C3 C4 C5 C10 . . . . 0.9(2) ?
C4 C5 C6 C7 . . . . 178.70(16) ?
C10 C5 C6 C7 . . . . -0.8(2) ?
C5 C6 C7 C8 . . . . -0.4(3) ?
C6 C7 C8 C9 . . . . 0.6(3) ?
C7 C8 C9 C10 . . . . 0.3(2) ?
C8 C9 C10 C11 . . . . 179.79(15) ?
C8 C9 C10 C5 . . . . -1.4(2) ?
C4 C5 C10 C11 . . . . 1.0(2) ?
C6 C5 C10 C11 . . . . -179.56(14) ?
C4 C5 C10 C9 . . . . -177.85(13) ?
C6 C5 C10 C9 . . . . 1.6(2) ?
C9 C10 C11 C12 . . . . 177.09(14) ?
C5 C10 C11 C12 . . . . -1.7(2) ?
C13 O3 C12 C11 . . . . -176.77(13) ?
C13 O3 C12 C3 . . . . 4.5(2) ?
C10 C11 C12 O3 . . . . -178.17(13) ?
C10 C11 C12 C3 . . . . 0.6(2) ?
C4 C3 C12 O3 . . . . 179.97(13) ?
C2 C3 C12 O3 . . . . -1.7(2) ?
C4 C3 C12 C11 . . . . 1.3(2) ?
C2 C3 C12 C11 . . . . 179.62(13) ?
C12 O3 C13 C1 . . . . -2.4(2) ?
C12 O3 C13 C14 . . . . 177.11(12) ?
O2 C1 C13 O3 . . . . 175.34(12) ?
C2 C1 C13 O3 . . . . -2.3(2) ?
O2 C1 C13 C14 . . . . -4.1(2) ?
C2 C1 C13 C14 . . . . 178.24(13) ?
O3 C13 C14 C19 . . . . 169.14(13) ?
C1 C13 C14 C19 . . . . -11.4(2) ?
O3 C13 C14 C15 . . . . -9.58(18) ?
C1 C13 C14 C15 . . . . 169.88(14) ?
C19 C14 C15 C16 . . . . -1.1(2) ?
C13 C14 C15 C16 . . . . 177.62(14) ?
C14 C15 C16 C17 . . . . 0.7(3) ?
C15 C16 C17 C18 . . . . 0.0(3) ?
C16 C17 C18 C19 . . . . -0.2(3) ?
C17 C18 C19 C14 . . . . -0.3(2) ?
C15 C14 C19 C18 . . . . 1.0(2) ?
C13 C14 C19 C18 . . . . -177.76(14) ?
C24 N1 C20 C21 . . . . 2.0(2) ?
Zn1 N1 C20 C21 . . . . -165.12(13) ?
N1 C20 C21 C22 . . . . 1.3(3) ?
C20 C21 C22 C23 . . . . -2.6(3) ?
C21 C22 C23 C24 . . . . 0.7(3) ?
C20 N1 C24 C23 . . . . -4.0(2) ?
Zn1 N1 C24 C23 . . . . 164.94(12) ?
C20 N1 C24 C25 . . . . 175.50(13) ?
Zn1 N1 C24 C25 . . . . -15.59(15) ?
C22 C23 C24 N1 . . . . 2.6(2) ?
C22 C23 C24 C25 . . . . -176.80(15) ?
C29 N2 C25 C26 . . . . 0.1(2) ?
Zn1 N2 C25 C26 . . . . -178.22(12) ?
C29 N2 C25 C24 . . . . -178.48(14) ?
Zn1 N2 C25 C24 . . . . 3.20(16) ?
N1 C24 C25 N2 . . . . 8.64(19) ?
C23 C24 C25 N2 . . . . -171.90(14) ?
N1 C24 C25 C26 . . . . -169.90(15) ?
C23 C24 C25 C26 . . . . 9.6(2) ?
N2 C25 C26 C27 . . . . 0.2(3) ?
C24 C25 C26 C27 . . . . 178.64(16) ?
C25 C26 C27 C28 . . . . -0.3(3) ?
C26 C27 C28 C29 . . . . 0.1(3) ?
C25 N2 C29 C28 . . . . -0.3(3) ?
Zn1 N2 C29 C28 . . . . 177.85(14) ?
C27 C28 C29 N2 . . . . 0.2(3) ?


_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    ', Light-sensitive,Photo-sensitive'
