# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_n190402a
_audit_block_doi                 10.5517/ccdc.csd.cc23bfrn
_database_code_depnum_ccdc_archive 'CCDC 1946451'
loop_
_audit_author_name
_audit_author_address
'Li Tian'
;Tianjin Normal University
China
;
_audit_update_record             
;
2019-08-10 deposited with the CCDC.	2019-11-06 downloaded from the CCDC.
;
_audit_creation_date             2019-08-10
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '3(C4 H9 N O), C40 H20 N12 O16 Zn4'
_chemical_formula_sum            'C52 H47 N15 O19 Zn4'
_chemical_formula_weight         1447.52
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.852(3)
_cell_length_b                   11.898(3)
_cell_length_c                   15.037(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.289(3)
_cell_angle_gamma                90
_cell_volume                     1821.2(7)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4197
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.790
_shelx_estimated_absorpt_T_min   0.752
_exptl_absorpt_coefficient_mu    1.372
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.1083 before and 0.0795 after correction. The Ratio of minimum to maximum transmission is 0.7405. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.1205
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9870
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.239
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2702
_reflns_number_total             3194
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.901
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3194
_refine_ls_number_restraints     211
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0883
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1350P)²+10.4655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2502
_refine_ls_wR_factor_ref         0.2630
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N2'-C3'
 1.46 with sigma of 0.001
 C3'-N3'
 2.49 with sigma of 0.01
 N4-C13 = N4-C14
 1.5 with sigma of 0.01
 C12-C11
 1.52 with sigma of 0.01
 O5-C11
 1.21 with sigma of 0.01
 N4-C11
 1.3 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
O1' \\sim O2' \\sim O3' \\sim O4' \\sim N1' \\sim N2' \\sim N3' \\sim C1' \\sim
C2' \\sim C3' \\sim C4' \\sim C5' \\sim C6' \\sim C7' \\sim C8' \\sim C9' \\sim
C10': within 2A with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(C2') \\sim Ueq, Uanis(N3') \\sim Ueq, Uanis(C3') \\sim Ueq, Uanis(C4')
\\sim Ueq, Uanis(C5') \\sim Ueq, Uanis(C6') \\sim Ueq, Uanis(C7') \\sim Ueq,
Uanis(C8') \\sim Ueq, Uanis(C9') \\sim Ueq, Uanis(C10') \\sim Ueq: with sigma
of 0.002 and sigma for terminal atoms of 0.004
Uanis(C12) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(N4)
\\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.005
Uanis(C1) = Uanis(N1')
Uanis(N1) = Uanis(C2')
Uanis(N3') = Uanis(C2)
Uanis(N2) = Uanis(N2')
Uanis(N3) = Uanis(C1')
Uanis(Zn1') = Uanis(Zn1)
4. Others
 Sof(Zn1')=Sof(O1')=Sof(O2')=Sof(O3')=Sof(O4')=Sof(N2')=Sof(C1')=Sof(H1')=
 Sof(N1')=Sof(C2')=Sof(H2')=Sof(N3')=Sof(C3')=Sof(C4')=Sof(H4')=Sof(C5')=
 Sof(C6')=Sof(H6')=Sof(C7')=Sof(C8')=Sof(H8')=Sof(C9')=Sof(C10')=1-FVAR(1)
 Sof(Zn1)=Sof(O1)=Sof(O2)=Sof(O3)=Sof(O4)=Sof(N2)=Sof(N3)=Sof(C1)=Sof(H1)=
 Sof(N1)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(C8)=Sof(H8)=Sof(C7)=Sof(C6)=Sof(H6)=
 Sof(C5)=Sof(C4)=Sof(H4)=Sof(C9)=Sof(C10)=FVAR(1)
 Fixed Sof: O5(0.75) N4(0.75) C11(0.75) C12(0.75) H12A(0.75) H12B(0.75)
 H12C(0.75) C13(0.75) H13A(0.75) H13B(0.75) H13C(0.75) C14(0.75) H14A(0.75)
 H14B(0.75) H14C(0.75)
5.a Riding coordinates:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C8(H8), C6(H6), C4(H4), C1'(H1'), C2'(H2'), C4'(H4'),
 C6'(H6'), C8'(H8')
5.c Fitted pentagon refined as free rotating group:
 N2(N3,C1,N1,C2), N2'(C1',N1',C2',N3')
5.d Fitted hexagon refined as free rotating group:
 C3(C8,C7,C6,C5,C4), C3'(C4',C5',C6',C7',C8')
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O5 O 0.5004(8) 0.8824(8) 0.1234(7) 0.064(2) Uani 0.75 1 d D U P . .
N4 N 0.5933(10) 0.7121(8) 0.1467(8) 0.059(3) Uani 0.75 1 d D U P . .
C11 C 0.5950(9) 0.8203(8) 0.1486(8) 0.044(3) Uani 0.75 1 d D U P . .
C12 C 0.7311(12) 0.8717(14) 0.1873(11) 0.073(4) Uani 0.75 1 d D U P . .
H12A H 0.7486 0.9084 0.1360 0.109 Uiso 0.75 1 d R . P . .
H12B H 0.7960 0.8145 0.2137 0.109 Uiso 0.75 1 d R . P . .
H12C H 0.7345 0.9259 0.2354 0.109 Uiso 0.75 1 d R . P . .
C13 C 0.4631(14) 0.6571(16) 0.1113(13) 0.093(5) Uani 0.75 1 d D U P . .
H13A H 0.3909 0.7090 0.0912 0.140 Uiso 0.75 1 d R . P . .
H13B H 0.4560 0.6114 0.1619 0.140 Uiso 0.75 1 d R . P . .
H13C H 0.4610 0.6099 0.0590 0.140 Uiso 0.75 1 d R . P . .
C14 C 0.7138(14) 0.6397(15) 0.1731(13) 0.086(5) Uani 0.75 1 d D U P . .
H14A H 0.7791 0.6762 0.1535 0.129 Uiso 0.75 1 d R . P . .
H14B H 0.6935 0.5675 0.1430 0.129 Uiso 0.75 1 d R . P . .
H14C H 0.7467 0.6302 0.2407 0.129 Uiso 0.75 1 d R . P . .
Zn1 Zn 0.11048(7) 0.08139(6) 0.02837(5) 0.0140(4) Uani 0.8458(18) 1 d . . P A 1
O1 O 0.8349(6) 0.0341(5) 0.0494(4) 0.0372(14) Uani 0.8458(18) 1 d . . P A 1
O2 O 1.0006(5) 0.1557(5) 0.0969(4) 0.0371(15) Uani 0.8458(18) 1 d . . P A 1
O3 O 0.9968(5) 0.3461(5) 0.4044(4) 0.0364(14) Uani 0.8458(18) 1 d . . P A 1
O4 O 0.8300(6) 0.4675(5) 0.3648(4) 0.0362(14) Uani 0.8458(18) 1 d . . P A 1
N2 N 0.4837(3) 0.2387(5) 0.1208(5) 0.0269(10) Uani 0.8458(18) 1 d . . P A 1
N3 N 0.4028(4) 0.3355(4) 0.1082(4) 0.0290(10) Uani 0.8458(18) 1 d G . P A 1
C1 C 0.2698(4) 0.2995(4) 0.0752(4) 0.0279(11) Uani 0.8458(18) 1 d G . P A 1
H1 H 0.1964 0.3457 0.0612 0.033 Uiso 0.8458(18) 1 calc R . P A 1
N1 N 0.2685(4) 0.1805(4) 0.0675(4) 0.0252(10) Uani 0.8458(18) 1 d G . P A 1
C2 C 0.4008(5) 0.1429(4) 0.0957(5) 0.0249(10) Uani 0.8458(18) 1 d G . P A 1
H2 H 0.4282 0.0687 0.0974 0.030 Uiso 0.8458(18) 1 calc R . P A 1
C3 C 0.6121(3) 0.2452(5) 0.1538(4) 0.0228(17) Uani 0.8458(18) 1 d . . P A 1
C8 C 0.6791(4) 0.3119(4) 0.2313(3) 0.0259(17) Uani 0.8458(18) 1 d G . P A 1
H8 H 0.6327 0.3550 0.2606 0.031 Uiso 0.8458(18) 1 calc R . P A 1
C7 C 0.8157(4) 0.3144(4) 0.2650(3) 0.0225(16) Uani 0.8458(18) 1 d G . P A 1
C6 C 0.8851(3) 0.2501(5) 0.2212(3) 0.0235(18) Uani 0.8458(18) 1 d G . P A 1
H6 H 0.9764 0.2517 0.2438 0.028 Uiso 0.8458(18) 1 calc R . P A 1
C5 C 0.8180(4) 0.1833(4) 0.1437(3) 0.0204(15) Uani 0.8458(18) 1 d G . P A 1
C4 C 0.6815(4) 0.1808(4) 0.1100(3) 0.0247(16) Uani 0.8458(18) 1 d G . P A 1
H4 H 0.6366 0.1362 0.0581 0.030 Uiso 0.8458(18) 1 calc R . P A 1
C9 C 0.8908(7) 0.1201(7) 0.0923(5) 0.0240(16) Uani 0.8458(18) 1 d . . P A 1
C10 C 0.8874(7) 0.3810(7) 0.3528(5) 0.0248(16) Uani 0.8458(18) 1 d . . P A 1
Zn1' Zn 0.1107(4) 0.4181(3) 0.0250(3) 0.0140(4) Uani 0.1542(18) 1 d . . P A 2
O1' O 0.841(3) 0.040(3) 0.377(2) 0.028(2) Uani 0.1542(18) 1 d . U P A 2
O2' O 1.003(3) 0.157(3) 0.404(2) 0.028(2) Uani 0.1542(18) 1 d . U P A 2
O3' O 0.987(3) 0.348(3) 0.086(2) 0.028(2) Uani 0.1542(18) 1 d . U P A 2
O4' O 0.828(3) 0.464(3) 0.047(2) 0.028(2) Uani 0.1542(18) 1 d . U P A 2
N2' N 0.4725(13) 0.247(2) 0.127(3) 0.0269(10) Uani 0.1542(18) 1 d D U P A 2
C1' C 0.394(2) 0.3385(19) 0.079(2) 0.0290(10) Uani 0.1542(18) 1 d G U P A 2
H1' H 0.4215 0.4124 0.0787 0.035 Uiso 0.1542(18) 1 calc R . P A 2
N1' N 0.264(2) 0.298(3) 0.031(2) 0.0279(11) Uani 0.1542(18) 1 d G U P A 2
C2' C 0.2636(19) 0.181(3) 0.050(2) 0.0252(10) Uani 0.1542(18) 1 d G U P A 2
H2' H 0.1915 0.1330 0.0272 0.030 Uiso 0.1542(18) 1 calc R . P A 2
N3' N 0.392(2) 0.149(2) 0.109(3) 0.0249(10) Uani 0.1542(18) 1 d DG U P A 2
C3' C 0.6146(13) 0.235(3) 0.153(2) 0.0266(14) Uani 0.1542(18) 1 d D U P A 2
C4' C 0.688(2) 0.172(2) 0.2316(19) 0.0266(17) Uani 0.1542(18) 1 d G U P A 2
H4' H 0.6463 0.1246 0.2613 0.032 Uiso 0.1542(18) 1 calc R . P A 2
C5' C 0.824(2) 0.181(2) 0.2658(17) 0.0268(18) Uani 0.1542(18) 1 d G U P A 2
C6' C 0.8870(14) 0.251(3) 0.221(2) 0.0268(18) Uani 0.1542(18) 1 d G U P A 2
H6' H 0.9781 0.2571 0.2444 0.032 Uiso 0.1542(18) 1 calc R . P A 2
C7' C 0.813(2) 0.314(2) 0.1429(19) 0.0269(18) Uani 0.1542(18) 1 d G U P A 2
C8' C 0.677(2) 0.305(2) 0.1086(17) 0.0267(17) Uani 0.1542(18) 1 d G U P A 2
H8' H 0.6279 0.3472 0.0561 0.032 Uiso 0.1542(18) 1 calc R . P A 2
C9' C 0.898(4) 0.120(4) 0.355(3) 0.027(2) Uani 0.1542(18) 1 d . U P A 2
C10' C 0.887(4) 0.384(4) 0.092(3) 0.027(2) Uani 0.1542(18) 1 d . U P A 2


_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
O5 C11 1.214(8) . ?
N4 C11 1.288(9) . ?
N4 C13 1.479(9) . ?
N4 C14 1.500(9) . ?
C11 C12 1.516(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9602 . ?
C13 H13B 0.9599 . ?
C13 H13C 0.9599 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9597 . ?
C14 H14C 0.9602 . ?
Zn1 Zn1 2.9683(15) 3 ?
Zn1 O1 2.022(6) 3_655 ?
Zn1 O2 2.029(5) 1_455 ?
Zn1 O3 2.036(5) 4_465 ?
Zn1 O4 2.028(6) 2_645 ?
Zn1 N1 1.995(4) . ?
O1 Zn1 2.022(6) 3_655 ?
O1 C9 1.249(10) . ?
O2 Zn1 2.029(5) 1_655 ?
O2 C9 1.244(10) . ?
O3 Zn1 2.036(5) 4_666 ?
O3 C10 1.243(10) . ?
O4 Zn1 2.028(6) 2_655 ?
O4 C10 1.248(10) . ?
N2 N3 1.4200 . ?
N2 C2 1.4200 . ?
N2 C3 1.308(5) . ?
N3 C1 1.4200 . ?
C1 H1 0.9300 . ?
C1 N1 1.4200 . ?
N1 C2 1.4200 . ?
C2 H2 0.9300 . ?
C3 C8 1.3900 . ?
C3 C4 1.3900 . ?
C8 H8 0.9300 . ?
C8 C7 1.3900 . ?
C7 C6 1.3900 . ?
C7 C10 1.505(8) . ?
C6 H6 0.9300 . ?
C6 C5 1.3900 . ?
C5 C4 1.3900 . ?
C5 C9 1.486(8) . ?
C4 H4 0.9300 . ?
Zn1' Zn1' 2.981(8) 3_565 ?
Zn1' O1' 2.00(3) 2_655 ?
Zn1' O2' 1.99(3) 4_465 ?
Zn1' O3' 2.05(3) 1_455 ?
Zn1' O4' 2.02(3) 3_665 ?
Zn1' N1' 2.18(3) . ?
O1' Zn1' 2.00(3) 2_645 ?
O1' C9' 1.24(5) . ?
O2' Zn1' 1.99(3) 4_666 ?
O2' C9' 1.21(5) . ?
O3' Zn1' 2.05(3) 1_655 ?
O3' C10' 1.20(5) . ?
O4' Zn1' 2.02(3) 3_665 ?
O4' C10' 1.21(5) . ?
N2' C1' 1.4200 . ?
N2' N3' 1.4200 . ?
N2' C3' 1.4601(11) . ?
C1' H1' 0.9300 . ?
C1' N1' 1.4200 . ?
N1' C2' 1.4200 . ?
C2' H2' 0.9300 . ?
C2' N3' 1.4200 . ?
C3' C4' 1.3900 . ?
C3' C8' 1.3900 . ?
C4' H4' 0.9300 . ?
C4' C5' 1.3900 . ?
C5' C6' 1.3900 . ?
C5' C9' 1.49(5) . ?
C6' H6' 0.9300 . ?
C6' C7' 1.3900 . ?
C7' C8' 1.3900 . ?
C7' C10' 1.53(5) . ?
C8' H8' 0.9300 . ?

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
C11 N4 C13 117.1(11) . . ?
C11 N4 C14 124.3(11) . . ?
C13 N4 C14 118.5(13) . . ?
O5 C11 N4 126.6(10) . . ?
O5 C11 C12 118.7(11) . . ?
N4 C11 C12 114.6(10) . . ?
C11 C12 H12A 108.2 . . ?
C11 C12 H12B 110.5 . . ?
C11 C12 H12C 109.7 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N4 C13 H13A 113.7 . . ?
N4 C13 H13B 107.1 . . ?
N4 C13 H13C 107.6 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C14 H14A 109.2 . . ?
N4 C14 H14B 110.7 . . ?
N4 C14 H14C 108.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 Zn1 Zn1 76.09(18) 3_655 3 ?
O1 Zn1 O2 158.7(2) 3_655 1_455 ?
O1 Zn1 O3 88.0(3) 3_655 4_465 ?
O1 Zn1 O4 85.8(3) 3_655 2_645 ?
O2 Zn1 Zn1 82.64(17) 1_455 3 ?
O2 Zn1 O3 90.2(3) 1_455 4_465 ?
O3 Zn1 Zn1 80.83(17) 4_465 3 ?
O4 Zn1 Zn1 78.19(17) 2_645 3 ?
O4 Zn1 O2 88.3(3) 2_645 1_455 ?
O4 Zn1 O3 159.0(2) 2_645 4_465 ?
N1 Zn1 Zn1 175.46(17) . 3 ?
N1 Zn1 O1 100.3(2) . 3_655 ?
N1 Zn1 O2 100.9(2) . 1_455 ?
N1 Zn1 O3 101.9(2) . 4_465 ?
N1 Zn1 O4 99.0(2) . 2_645 ?
C9 O1 Zn1 132.0(5) . 3_655 ?
C9 O2 Zn1 123.0(5) . 1_655 ?
C10 O3 Zn1 125.0(5) . 4_666 ?
C10 O4 Zn1 128.9(5) . 2_655 ?
N3 N2 C2 108.0 . . ?
C3 N2 N3 122.1(4) . . ?
C3 N2 C2 129.9(4) . . ?
N2 N3 C1 108.0 . . ?
N3 C1 H1 126.0 . . ?
N1 C1 N3 108.0 . . ?
N1 C1 H1 126.0 . . ?
C1 N1 Zn1 126.6(3) . . ?
C2 N1 Zn1 125.4(3) . . ?
C2 N1 C1 108.0 . . ?
N2 C2 H2 126.0 . . ?
N1 C2 N2 108.0 . . ?
N1 C2 H2 126.0 . . ?
N2 C3 C8 122.0(4) . . ?
N2 C3 C4 118.0(4) . . ?
C8 C3 C4 120.0 . . ?
C3 C8 H8 120.0 . . ?
C7 C8 C3 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C7 C6 120.0 . . ?
C8 C7 C10 119.5(4) . . ?
C6 C7 C10 120.3(4) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 C9 120.5(4) . . ?
C4 C5 C9 119.4(4) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
O1 C9 C5 115.6(6) . . ?
O2 C9 O1 126.2(7) . . ?
O2 C9 C5 118.1(7) . . ?
O3 C10 O4 127.0(7) . . ?
O3 C10 C7 117.6(7) . . ?
O4 C10 C7 115.4(6) . . ?
O1' Zn1' Zn1' 72.1(9) 2_655 3_565 ?
O1' Zn1' O3' 90.5(12) 2_655 1_455 ?
O1' Zn1' O4' 80.6(12) 2_655 3_665 ?
O1' Zn1' N1' 116.4(11) 2_655 . ?
O2' Zn1' Zn1' 84.0(9) 4_465 3_565 ?
O2' Zn1' O1' 155.8(12) 4_465 2_655 ?
O2' Zn1' O3' 87.8(12) 4_465 1_455 ?
O2' Zn1' O4' 91.1(12) 4_465 3_665 ?
O2' Zn1' N1' 86.8(11) 4_465 . ?
O3' Zn1' Zn1' 77.5(8) 1_455 3_565 ?
O3' Zn1' N1' 108.9(12) 1_455 . ?
O4' Zn1' Zn1' 78.3(9) 3_665 3_565 ?
O4' Zn1' O3' 155.7(12) 3_665 1_455 ?
O4' Zn1' N1' 95.2(12) 3_665 . ?
N1' Zn1' Zn1' 168.6(8) . 3_565 ?
C9' O1' Zn1' 136(3) . 2_645 ?
C9' O2' Zn1' 122(3) . 4_666 ?
C10' O3' Zn1' 130(3) . 1_655 ?
C10' O4' Zn1' 129(3) . 3_665 ?
C1' N2' C3' 127.5(15) . . ?
N3' N2' C1' 108.0 . . ?
N3' N2' C3' 119.4(8) . . ?
N2' C1' H1' 126.0 . . ?
N2' C1' N1' 108.0 . . ?
N1' C1' H1' 126.0 . . ?
C1' N1' Zn1' 113.8(14) . . ?
C2' N1' Zn1' 126.7(16) . . ?
C2' N1' C1' 108.0 . . ?
N1' C2' H2' 126.0 . . ?
N1' C2' N3' 108.0 . . ?
N3' C2' H2' 126.0 . . ?
C2' N3' N2' 108.0 . . ?
C4' C3' N2' 122(2) . . ?
C4' C3' C8' 120.0 . . ?
C8' C3' N2' 117.1(19) . . ?
C3' C4' H4' 120.0 . . ?
C3' C4' C5' 120.0 . . ?
C5' C4' H4' 120.0 . . ?
C4' C5' C9' 118(2) . . ?
C6' C5' C4' 120.0 . . ?
C6' C5' C9' 122(2) . . ?
C5' C6' H6' 120.0 . . ?
C5' C6' C7' 120.0 . . ?
C7' C6' H6' 120.0 . . ?
C6' C7' C8' 120.0 . . ?
C6' C7' C10' 118(2) . . ?
C8' C7' C10' 122(2) . . ?
C3' C8' H8' 120.0 . . ?
C7' C8' C3' 120.0 . . ?
C7' C8' H8' 120.0 . . ?
O1' C9' C5' 117(3) . . ?
O2' C9' O1' 125(4) . . ?
O2' C9' C5' 118(4) . . ?
O3' C10' O4' 124(4) . . ?
O3' C10' C7' 119(4) . . ?
O4' C10' C7' 116(4) . . ?

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
C13 N4 C11 O5 -0.7(19) . . . . ?
C13 N4 C11 C12 179.0(13) . . . . ?
C14 N4 C11 O5 175.9(14) . . . . ?
C14 N4 C11 C12 -4.4(18) . . . . ?
Zn1 O1 C9 O2 -0.2(13) 3_655 . . . ?
Zn1 O1 C9 C5 -179.0(5) 3_655 . . . ?
Zn1 O2 C9 O1 2.7(12) 1_655 . . . ?
Zn1 O2 C9 C5 -178.5(4) 1_655 . . . ?
Zn1 O3 C10 O4 3.0(12) 4_666 . . . ?
Zn1 O3 C10 C7 -178.2(4) 4_666 . . . ?
Zn1 O4 C10 O3 -1.0(13) 2_655 . . . ?
Zn1 O4 C10 C7 -179.8(4) 2_655 . . . ?
Zn1 N1 C2 N2 -178.1(5) . . . . ?
N2 N3 C1 N1 0.0 . . . . ?
N2 C3 C8 C7 178.7(6) . . . . ?
N2 C3 C4 C5 -178.7(6) . . . . ?
N3 N2 C2 N1 0.0 . . . . ?
N3 N2 C3 C8 44.5(7) . . . . ?
N3 N2 C3 C4 -136.8(4) . . . . ?
N3 C1 N1 Zn1 178.1(5) . . . . ?
N3 C1 N1 C2 0.0 . . . . ?
C1 N1 C2 N2 0.0 . . . . ?
C2 N2 N3 C1 0.0 . . . . ?
C2 N2 C3 C8 -132.7(4) . . . . ?
C2 N2 C3 C4 46.0(7) . . . . ?
C3 N2 N3 C1 -177.7(7) . . . . ?
C3 N2 C2 N1 177.5(8) . . . . ?
C3 C8 C7 C6 0.0 . . . . ?
C3 C8 C7 C10 -176.0(6) . . . . ?
C8 C3 C4 C5 0.0 . . . . ?
C8 C7 C6 C5 0.0 . . . . ?
C8 C7 C10 O3 148.7(6) . . . . ?
C8 C7 C10 O4 -32.4(8) . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C7 C6 C5 C9 175.9(6) . . . . ?
C6 C7 C10 O3 -27.3(9) . . . . ?
C6 C7 C10 O4 151.6(6) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C6 C5 C9 O1 154.5(6) . . . . ?
C6 C5 C9 O2 -24.4(9) . . . . ?
C4 C3 C8 C7 0.0 . . . . ?
C4 C5 C9 O1 -29.5(9) . . . . ?
C4 C5 C9 O2 151.6(6) . . . . ?
C9 C5 C4 C3 -175.9(6) . . . . ?
C10 C7 C6 C5 176.0(6) . . . . ?
Zn1' O1' C9' O2' -15(8) 2_645 . . . ?
Zn1' O1' C9' C5' 171(3) 2_645 . . . ?
Zn1' O2' C9' O1' 7(6) 4_666 . . . ?
Zn1' O2' C9' C5' -180(2) 4_666 . . . ?
Zn1' O3' C10' O4' 12(7) 1_655 . . . ?
Zn1' O3' C10' C7' -180(2) 1_655 . . . ?
Zn1' O4' C10' O3' -15(7) 3_665 . . . ?
Zn1' O4' C10' C7' 177(2) 3_665 . . . ?
Zn1' N1' C2' N3' -141(2) . . . . ?
N2' C1' N1' Zn1' 146(2) . . . . ?
N2' C1' N1' C2' 0.0 . . . . ?
N2' C3' C4' C5' -167(2) . . . . ?
N2' C3' C8' C7' 167(2) . . . . ?
C1' N2' N3' C2' 0.0 . . . . ?
C1' N2' C3' C4' 151(2) . . . . ?
C1' N2' C3' C8' -16(3) . . . . ?
C1' N1' C2' N3' 0.0 . . . . ?
N1' C2' N3' N2' 0.0 . . . . ?
N3' N2' C1' N1' 0.0 . . . . ?
N3' N2' C3' C4' -57(3) . . . . ?
N3' N2' C3' C8' 135(2) . . . . ?
C3' N2' C1' N1' 154(3) . . . . ?
C3' N2' N3' C2' -157(3) . . . . ?
C3' C4' C5' C6' 0.0 . . . . ?
C3' C4' C5' C9' 175(3) . . . . ?
C4' C3' C8' C7' 0.0 . . . . ?
C4' C5' C6' C7' 0.0 . . . . ?
C4' C5' C9' O1' 22(5) . . . . ?
C4' C5' C9' O2' -152(3) . . . . ?
C5' C6' C7' C8' 0.0 . . . . ?
C5' C6' C7' C10' -175(3) . . . . ?
C6' C5' C9' O1' -164(3) . . . . ?
C6' C5' C9' O2' 22(5) . . . . ?
C6' C7' C8' C3' 0.0 . . . . ?
C6' C7' C10' O3' 35(5) . . . . ?
C6' C7' C10' O4' -156(3) . . . . ?
C8' C3' C4' C5' 0.0 . . . . ?
C8' C7' C10' O3' -140(3) . . . . ?
C8' C7' C10' O4' 29(5) . . . . ?
C9' C5' C6' C7' -174(3) . . . . ?
C10' C7' C8' C3' 175(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
