# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_ecit-20
_database_code_depnum_ccdc_archive 'CCDC 1411042'
_audit_update_record             
;
2015-07-07 deposited with the CCDC.
2015-11-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H16 N4 O8 Zn'
_chemical_formula_weight         577.80

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'
O O 0.0106 0.0060 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.13(3)
_cell_length_b                   26.34(4)
_cell_length_c                   11.628(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.671(18)
_cell_angle_gamma                90.00
_cell_volume                     5859(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    9785
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      27.29

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_absorpt_coefficient_mu    0.444
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9164
_exptl_absorpt_correction_T_max  0.9243
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16156
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_av_sigmaI/netI    0.1366
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.32
_diffrn_reflns_theta_max         25.00
_reflns_number_total             8835
_reflns_number_gt                4783
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8835
_refine_ls_number_parameters     328
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.1668
_refine_ls_R_factor_gt           0.1219
_refine_ls_wR_factor_ref         0.3337
_refine_ls_wR_factor_gt          0.3075
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
N4 N 0.1097(3) 1.01756(19) 0.6467(3) 0.0714(19) Uani 1 1 d G . .
C1 C 0.0560(3) 0.98339(19) 0.6676(4) 0.088(3) Uani 1 1 d G . .
H1 H 0.0385 0.9633 0.6081 0.106 Uiso 1 1 calc R . .
C2 C 0.0284(3) 0.9793(2) 0.7772(4) 0.088(3) Uani 1 1 d G . .
H2 H -0.0076 0.9564 0.7911 0.105 Uiso 1 1 calc R . .
C3 C 0.0545(3) 1.0094(3) 0.8660(3) 0.096(3) Uani 1 1 d GD . .
C4 C 0.1083(4) 1.0436(2) 0.8452(4) 0.114(4) Uani 1 1 d G . .
H4 H 0.1257 1.0637 0.9046 0.137 Uiso 1 1 calc R . .
C5 C 0.1359(3) 1.0476(2) 0.7355(5) 0.083(3) Uani 1 1 d G . .
H5 H 0.1718 1.0705 0.7216 0.099 Uiso 1 1 calc R . .
C6 C 0.0287(5) 1.0098(3) 0.9859(7) 0.093(3) Uani 1 1 d D . .
H6 H 0.0561 1.0252 1.0426 0.112 Uiso 1 1 calc R . .
N3 N 0.2515(3) 1.0196(2) 0.4807(6) 0.091(2) Uani 1 1 d GU . .
C7 C 0.2778(3) 0.9762(2) 0.4289(8) 0.318(17) Uani 1 1 d G . .
H7 H 0.2476 0.9535 0.3924 0.382 Uiso 1 1 calc R . .
C8 C 0.3493(3) 0.96661(13) 0.4318(9) 0.63(3) Uani 1 1 d G . .
H8 H 0.3669 0.9376 0.3972 0.753 Uiso 1 1 calc R . .
C9 C 0.3944(2) 1.0005(2) 0.4865(9) 0.176(7) Uani 1 1 d GD . .
C10 C 0.3680(3) 1.0439(3) 0.5383(9) 0.174(7) Uani 1 1 d G . .
H10 H 0.3982 1.0666 0.5749 0.209 Uiso 1 1 calc R . .
C11 C 0.2966(3) 1.0535(3) 0.5354(8) 0.181(7) Uani 1 1 d G . .
H11 H 0.2790 1.0825 0.5701 0.217 Uiso 1 1 calc R . .
C12 C 0.4690(5) 0.9917(3) 0.4740(13) 0.199(8) Uani 1 1 d D . .
H12 H 0.4777 0.9688 0.4151 0.238 Uiso 1 1 calc R . .
C13 C 0.1130(4) 0.9544(3) 0.3095(7) 0.0553(18) Uani 1 1 d . . .
C14 C 0.0755(4) 0.9074(3) 0.2605(5) 0.0541(18) Uani 1 1 d . . .
C15 C 0.0332(5) 0.8797(3) 0.3245(7) 0.082(3) Uani 1 1 d . . .
H15 H 0.0257 0.8896 0.4001 0.098 Uiso 1 1 calc R . .
C16 C -0.0011(6) 0.8353(4) 0.2827(7) 0.099(3) Uani 1 1 d . . .
H16 H -0.0306 0.8174 0.3312 0.119 Uiso 1 1 calc R . .
C17 C 0.0084(5) 0.8181(3) 0.1705(6) 0.074(2) Uani 1 1 d . . .
C18 C 0.0511(5) 0.8498(3) 0.1017(5) 0.075(3) Uani 1 1 d . . .
C19 C 0.0841(5) 0.8918(3) 0.1496(5) 0.087(3) Uani 1 1 d . . .
H19 H 0.1139 0.9105 0.1033 0.104 Uiso 1 1 calc R . .
C20 C -0.1195(5) 0.6220(3) 0.0460(9) 0.079(3) Uani 1 1 d . . .
C21 C -0.0876(4) 0.6732(3) 0.0761(7) 0.065(2) Uani 1 1 d . . .
C22 C -0.0325(6) 0.6781(3) 0.1516(8) 0.107(4) Uani 1 1 d . . .
H22 H -0.0138 0.6489 0.1853 0.128 Uiso 1 1 calc R . .
C23 C -0.0040(6) 0.7240(4) 0.1794(8) 0.100(3) Uani 1 1 d . . .
H23 H 0.0317 0.7250 0.2344 0.120 Uiso 1 1 calc R . .
C24 C -0.0255(5) 0.7690(3) 0.1296(7) 0.074(2) Uani 1 1 d . . .
C25 C -0.0799(5) 0.7647(3) 0.0528(9) 0.089(3) Uani 1 1 d . . .
C26 C -0.1093(5) 0.7163(4) 0.0218(8) 0.091(3) Uani 1 1 d . . .
H26 H -0.1433 0.7144 -0.0358 0.110 Uiso 1 1 calc R . .
N1 N 0.0656(4) 0.8365(3) -0.0202(7) 0.090(2) Uani 1 1 d . . .
N2 N -0.1055(7) 0.8124(6) -0.0094(14) 0.174(6) Uani 1 1 d . . .
O1 O 0.1040(3) 0.96114(19) 0.4170(4) 0.0733(16) Uani 1 1 d . . .
O2 O 0.1431(4) 0.9814(2) 0.2413(6) 0.102(2) Uani 1 1 d . . .
O3 O -0.1700(4) 0.6224(3) -0.0296(7) 0.108(2) Uani 1 1 d . . .
O4 O -0.0961(3) 0.58237(18) 0.0881(5) 0.0840(18) Uani 1 1 d . . .
O5 O 0.0664(5) 0.7923(3) -0.0432(6) 0.126(3) Uani 1 1 d . . .
O6 O 0.0755(8) 0.8708(4) -0.0844(8) 0.233(7) Uani 1 1 d . . .
O7 O -0.1449(9) 0.8029(5) -0.0981(15) 0.269(8) Uani 1 1 d . . .
O8 O -0.0817(10) 0.8532(6) -0.0092(13) 0.256(8) Uani 1 1 d . . .
Zn1 Zn 0.14496(4) 1.02523(3) 0.47754(7) 0.0592(4) Uani 1 1 d . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N4 C1 1.3900 . ?
N4 C5 1.3900 . ?
N4 Zn1 2.097(5) . ?
C1 C2 1.3900 . ?
C1 H1 0.9300 . ?
C2 C3 1.3900 . ?
C2 H2 0.9300 . ?
C3 C4 1.3900 . ?
C3 C6 1.484(8) . ?
C4 C5 1.3900 . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C6 1.261(16) 3_577 ?
C6 H6 0.9300 . ?
N3 C7 1.3900 . ?
N3 C11 1.3900 . ?
N3 Zn1 2.043(6) . ?
C7 C8 1.3900 . ?
C7 H7 0.9300 . ?
C8 C9 1.3900 . ?
C8 H8 0.9300 . ?
C9 C10 1.3900 . ?
C9 C12 1.454(9) . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C12 1.40(2) 3_676 ?
C12 H12 0.9300 . ?
C13 O2 1.214(9) . ?
C13 O1 1.277(9) . ?
C13 C14 1.537(10) . ?
C14 C15 1.325(10) . ?
C14 C19 1.365(9) . ?
C15 C16 1.423(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.395(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.422(11) . ?
C17 C24 1.519(11) . ?
C18 C19 1.388(11) . ?
C18 N1 1.489(10) . ?
C19 H19 0.9300 . ?
C20 O4 1.235(11) . ?
C20 O3 1.298(11) . ?
C20 C21 1.521(10) . ?
C21 C26 1.361(12) . ?
C21 C22 1.370(12) . ?
C22 C23 1.364(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.368(12) . ?
C25 C26 1.437(11) . ?
C25 N2 1.528(17) . ?
C26 H26 0.9300 . ?
N1 O6 1.189(11) . ?
N1 O5 1.196(9) . ?
N2 O8 1.167(16) . ?
N2 O7 1.295(16) . ?
O1 Zn1 1.986(5) . ?
O4 Zn1 1.925(6) 2_545 ?
Zn1 O4 1.925(6) 2 ?

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
_geom_angle_publ_flag
C1 N4 C5 120.0 . . ?
C1 N4 Zn1 118.2(3) . . ?
C5 N4 Zn1 121.7(3) . . ?
N4 C1 C2 120.0 . . ?
N4 C1 H1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 C6 125.6(6) . . ?
C4 C3 C6 114.4(6) . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 N4 120.0 . . ?
C4 C5 H5 120.0 . . ?
N4 C5 H5 120.0 . . ?
C6 C6 C3 122.8(11) 3_577 . ?
C6 C6 H6 118.6 3_577 . ?
C3 C6 H6 118.6 . . ?
C7 N3 C11 120.0 . . ?
C7 N3 Zn1 114.7(3) . . ?
C11 N3 Zn1 125.1(3) . . ?
N3 C7 C8 120.0 . . ?
N3 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 C12 117.2(6) . . ?
C10 C9 C12 122.3(6) . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 N3 120.0 . . ?
C10 C11 H11 120.0 . . ?
N3 C11 H11 120.0 . . ?
C12 C12 C9 137.6(14) 3_676 . ?
C12 C12 H12 111.2 3_676 . ?
C9 C12 H12 111.2 . . ?
O2 C13 O1 128.8(7) . . ?
O2 C13 C14 116.9(7) . . ?
O1 C13 C14 114.1(6) . . ?
C15 C14 C19 116.5(7) . . ?
C15 C14 C13 121.4(6) . . ?
C19 C14 C13 122.1(7) . . ?
C14 C15 C16 122.9(7) . . ?
C14 C15 H15 118.6 . . ?
C16 C15 H15 118.6 . . ?
C17 C16 C15 121.5(8) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C16 C17 C18 114.7(7) . . ?
C16 C17 C24 120.7(8) . . ?
C18 C17 C24 124.6(7) . . ?
C19 C18 C17 120.3(6) . . ?
C19 C18 N1 118.7(8) . . ?
C17 C18 N1 120.8(7) . . ?
C14 C19 C18 124.0(8) . . ?
C14 C19 H19 118.0 . . ?
C18 C19 H19 118.0 . . ?
O4 C20 O3 122.7(7) . . ?
O4 C20 C21 121.0(10) . . ?
O3 C20 C21 116.2(8) . . ?
C26 C21 C22 116.6(7) . . ?
C26 C21 C20 120.9(8) . . ?
C22 C21 C20 122.3(8) . . ?
C23 C22 C21 122.4(8) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 123.1(9) . . ?
C22 C23 H23 118.4 . . ?
C24 C23 H23 118.4 . . ?
C25 C24 C23 115.0(7) . . ?
C25 C24 C17 126.5(7) . . ?
C23 C24 C17 118.4(8) . . ?
C24 C25 C26 122.0(8) . . ?
C24 C25 N2 118.5(7) . . ?
C26 C25 N2 119.3(10) . . ?
C21 C26 C25 120.5(8) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
O6 N1 O5 126.7(9) . . ?
O6 N1 C18 116.8(8) . . ?
O5 N1 C18 116.5(8) . . ?
O8 N2 O7 113.8(16) . . ?
O8 N2 C25 129.4(13) . . ?
O7 N2 C25 113.4(12) . . ?
C13 O1 Zn1 114.1(5) . . ?
C20 O4 Zn1 109.3(6) . 2_545 ?
O4 Zn1 O1 109.7(3) 2 . ?
O4 Zn1 N3 122.9(3) 2 . ?
O1 Zn1 N3 109.5(2) . . ?
O4 Zn1 N4 106.7(2) 2 . ?
O1 Zn1 N4 97.0(2) . . ?
N3 Zn1 N4 107.9(3) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N4 C1 C2 0.0 . . . . ?
Zn1 N4 C1 C2 -176.3(3) . . . . ?
N4 C1 C2 C3 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C1 C2 C3 C6 178.4(6) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C6 C3 C4 C5 -178.5(6) . . . . ?
C3 C4 C5 N4 0.0 . . . . ?
C1 N4 C5 C4 0.0 . . . . ?
Zn1 N4 C5 C4 176.1(3) . . . . ?
C2 C3 C6 C6 -14.6(16) . . . 3_577 ?
C4 C3 C6 C6 163.8(11) . . . 3_577 ?
C11 N3 C7 C8 0.0 . . . . ?
Zn1 N3 C7 C8 -176.1(5) . . . . ?
N3 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C7 C8 C9 C12 -172.4(9) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C12 C9 C10 C11 172.0(10) . . . . ?
C9 C10 C11 N3 0.0 . . . . ?
C7 N3 C11 C10 0.0 . . . . ?
Zn1 N3 C11 C10 175.7(5) . . . . ?
C8 C9 C12 C12 -165.6(16) . . . 3_676 ?
C10 C9 C12 C12 22(2) . . . 3_676 ?
O2 C13 C14 C15 -170.3(8) . . . . ?
O1 C13 C14 C15 5.3(10) . . . . ?
O2 C13 C14 C19 10.1(11) . . . . ?
O1 C13 C14 C19 -174.3(7) . . . . ?
C19 C14 C15 C16 1.1(14) . . . . ?
C13 C14 C15 C16 -178.6(8) . . . . ?
C14 C15 C16 C17 0.5(16) . . . . ?
C15 C16 C17 C18 -3.5(14) . . . . ?
C15 C16 C17 C24 176.5(9) . . . . ?
C16 C17 C18 C19 5.1(13) . . . . ?
C24 C17 C18 C19 -174.9(8) . . . . ?
C16 C17 C18 N1 -179.7(8) . . . . ?
C24 C17 C18 N1 0.3(13) . . . . ?
C15 C14 C19 C18 0.7(13) . . . . ?
C13 C14 C19 C18 -179.7(8) . . . . ?
C17 C18 C19 C14 -4.0(14) . . . . ?
N1 C18 C19 C14 -179.3(8) . . . . ?
O4 C20 C21 C26 173.9(8) . . . . ?
O3 C20 C21 C26 -3.0(12) . . . . ?
O4 C20 C21 C22 -0.9(13) . . . . ?
O3 C20 C21 C22 -177.8(9) . . . . ?
C26 C21 C22 C23 5.4(16) . . . . ?
C20 C21 C22 C23 -179.6(9) . . . . ?
C21 C22 C23 C24 -3.5(18) . . . . ?
C22 C23 C24 C25 2.4(16) . . . . ?
C22 C23 C24 C17 177.8(10) . . . . ?
C16 C17 C24 C25 109.2(11) . . . . ?
C18 C17 C24 C25 -70.7(13) . . . . ?
C16 C17 C24 C23 -65.5(13) . . . . ?
C18 C17 C24 C23 114.5(10) . . . . ?
C23 C24 C25 C26 -3.5(15) . . . . ?
C17 C24 C25 C26 -178.5(9) . . . . ?
C23 C24 C25 N2 -178.0(11) . . . . ?
C17 C24 C25 N2 7.1(16) . . . . ?
C22 C21 C26 C25 -6.3(14) . . . . ?
C20 C21 C26 C25 178.5(8) . . . . ?
C24 C25 C26 C21 5.8(15) . . . . ?
N2 C25 C26 C21 -179.8(10) . . . . ?
C19 C18 N1 O6 -34.4(14) . . . . ?
C17 C18 N1 O6 150.3(12) . . . . ?
C19 C18 N1 O5 145.3(9) . . . . ?
C17 C18 N1 O5 -30.0(13) . . . . ?
C24 C25 N2 O8 7(3) . . . . ?
C26 C25 N2 O8 -167(2) . . . . ?
C24 C25 N2 O7 164.7(15) . . . . ?
C26 C25 N2 O7 -10(2) . . . . ?
O2 C13 O1 Zn1 0.5(10) . . . . ?
C14 C13 O1 Zn1 -174.5(4) . . . . ?
O3 C20 O4 Zn1 0.7(10) . . . 2_545 ?
C21 C20 O4 Zn1 -176.0(6) . . . 2_545 ?
C13 O1 Zn1 O4 66.2(6) . . . 2 ?
C13 O1 Zn1 N3 -71.4(5) . . . . ?
C13 O1 Zn1 N4 176.8(5) . . . . ?
C7 N3 Zn1 O4 -123.5(4) . . . 2 ?
C11 N3 Zn1 O4 60.6(6) . . . 2 ?
C7 N3 Zn1 O1 7.4(5) . . . . ?
C11 N3 Zn1 O1 -168.6(5) . . . . ?
C7 N3 Zn1 N4 111.8(4) . . . . ?
C11 N3 Zn1 N4 -64.1(6) . . . . ?
C1 N4 Zn1 O4 95.6(3) . . . 2 ?
C5 N4 Zn1 O4 -80.6(4) . . . 2 ?
C1 N4 Zn1 O1 -17.4(3) . . . . ?
C5 N4 Zn1 O1 166.4(3) . . . . ?
C1 N4 Zn1 N3 -130.5(3) . . . . ?
C5 N4 Zn1 N3 53.3(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.857
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.857
_refine_diff_density_max         1.033
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.100
