# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_a_sq
_database_code_depnum_ccdc_archive 'CCDC 1943115'
loop_
_audit_author_name
_audit_author_address
Zn
;Zhongyuan University of Technology
China
;
_audit_update_record             
;
2019-08-26 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;
_audit_creation_date             2019-08-25
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H26 N24 Zn3'
_chemical_formula_sum            'C34 H28 N24 O Zn3'
_chemical_formula_weight         984.91
_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/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                   15.061(3)
_cell_length_b                   18.967(4)
_cell_length_c                   17.270(4)
_cell_angle_alpha                90
_cell_angle_beta                 107.86(3)
_cell_angle_gamma                90
_cell_volume                     4695.6(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9404
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8366
_cell_measurement_theta_min      1.5725
_shelx_estimated_absorpt_T_max   0.744
_shelx_estimated_absorpt_T_min   0.649
_exptl_absorpt_coefficient_mu    1.575
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8654
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_unetI/netI     0.0735
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32230
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.573
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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                6457
_reflns_number_total             8730
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
The unit cell includes a large region of disordered solvent water molecule,
which could not be modeled as discrete atomic sites. We employed PLATON/SQUEEZE 
to calculate the diffraction contribution of the solvent water molecule and, 
thereby, to produce a set of solvent-free diffraction intensities. Combining  
single-crystal structure, elemental analyses, TGA and the electron count 
of the SQUEEZE results, about 1 water molecules per asymmetric unit
;

_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Rigaku Saturn 724 CCD'
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'SHELXL(Sheldrick, 2018)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.076
_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     554
_refine_ls_number_reflns         8730
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0588
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0545P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1347
_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.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C10(H10), C13(H13), C16(H16), C17(H17), C20(H20),
 C23(H23), C24(H24), C27(H27), C30(H30), C33(H33), C34(H34)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C15(H15A,H15B,H15C), C26(H26A,H26B,H26C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_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
Zn1 Zn 0.74003(3) 1.09395(3) 0.53806(3) 0.03495(16) Uani 1 1 d . . . . .
Zn2 Zn 1.09778(4) 1.20735(3) 0.75637(3) 0.04148(18) Uani 1 1 d . . . . .
Zn3 Zn 1.07171(4) 0.88842(3) 0.74156(3) 0.03882(17) Uani 1 1 d . . . . .
N1 N 1.3975(2) 0.7604(2) 0.6421(2) 0.0396(10) Uani 1 1 d . . . . .
N2 N 1.4642(3) 0.7531(2) 0.6042(3) 0.0514(11) Uani 1 1 d . . . . .
N3 N 1.4418(3) 0.7934(2) 0.5402(3) 0.0474(11) Uani 1 1 d . . . . .
N4 N 1.3616(2) 0.8281(2) 0.5346(2) 0.0389(9) Uani 1 1 d . . . . .
N5 N 1.1964(2) 0.8753(2) 0.5505(2) 0.0362(9) Uani 1 1 d . . . . .
N6 N 1.1348(2) 0.8711(2) 0.6532(2) 0.0381(9) Uani 1 1 d . . . . .
N7 N 1.3142(3) 0.7582(2) 0.7898(2) 0.0424(10) Uani 1 1 d . . . . .
N8 N 1.3110(3) 0.7479(2) 0.8669(3) 0.0582(13) Uani 1 1 d . . . . .
N9 N 1.2427(3) 0.7843(3) 0.8774(3) 0.0592(13) Uani 1 1 d . . . . .
N10 N 1.1980(3) 0.8188(2) 0.8072(2) 0.0454(10) Uani 1 1 d . . . . .
N11 N 0.9560(3) 0.8139(2) 0.6969(2) 0.0386(9) Uani 1 1 d . . . . .
N12 N 1.0137(3) 0.8794(2) 0.8384(2) 0.0443(10) Uani 1 1 d . . . . .
N13 N 1.1457(3) 0.9917(2) 0.7876(2) 0.0451(10) Uani 1 1 d . . . . .
N14 N 1.2276(3) 1.0203(3) 0.8344(3) 0.0590(13) Uani 1 1 d . . . . .
N15 N 1.2228(3) 1.0885(2) 0.8296(3) 0.0554(12) Uani 1 1 d . . . . .
N16 N 1.1371(3) 1.1066(2) 0.7783(2) 0.0386(10) Uani 1 1 d . . . . .
N17 N 0.9773(2) 0.96641(19) 0.6754(2) 0.0349(9) Uani 1 1 d . . . . .
N18 N 0.8584(2) 1.03663(18) 0.6081(2) 0.0352(9) Uani 1 1 d . . . . .
N19 N 0.9640(2) 1.20528(19) 0.6911(2) 0.0407(10) Uani 1 1 d . . . . .
N20 N 0.9092(3) 1.2642(2) 0.6768(3) 0.0554(12) Uani 1 1 d . . . . .
N21 N 0.8239(3) 1.2460(2) 0.6367(3) 0.0511(11) Uani 1 1 d . . . . .
N22 N 0.8209(2) 1.17497(19) 0.6243(2) 0.0378(9) Uani 1 1 d . . . . .
N23 N 0.6749(2) 1.0021(2) 0.4693(2) 0.0390(9) Uani 1 1 d . . . . .
N24 N 0.6583(2) 1.05253(19) 0.6073(2) 0.0374(9) Uani 1 1 d . . . . .
C1 C 1.3363(3) 0.8065(2) 0.5980(3) 0.0330(10) Uani 1 1 d . . . . .
C2 C 1.2532(3) 0.8339(2) 0.6118(3) 0.0328(10) Uani 1 1 d . . . . .
C3 C 1.1278(3) 0.8956(2) 0.5793(3) 0.0414(12) Uani 1 1 d . . . . .
H3 H 1.079053 0.924472 0.550256 0.050 Uiso 1 1 calc R . . . .
C4 C 1.2155(3) 0.8310(2) 0.6743(3) 0.0330(10) Uani 1 1 d . . . . .
C5 C 1.2444(3) 0.8016(2) 0.7555(3) 0.0373(11) Uani 1 1 d . . . . .
C6 C 0.9292(4) 0.7829(3) 0.6244(3) 0.0553(14) Uani 1 1 d . . . . .
H6 H 0.970021 0.783398 0.593455 0.066 Uiso 1 1 calc R . . . .
C7 C 0.8451(4) 0.7503(3) 0.5928(4) 0.0670(17) Uani 1 1 d . . . . .
H7 H 0.829564 0.729897 0.541453 0.080 Uiso 1 1 calc R . . . .
C8 C 0.7832(4) 0.7477(3) 0.6371(4) 0.0731(19) Uani 1 1 d . . . . .
C9 C 0.6890(5) 0.7107(5) 0.6051(5) 0.130(4) Uani 1 1 d . . . . .
H9A H 0.696870 0.661141 0.616179 0.195 Uiso 1 1 calc GR . . . .
H9B H 0.664105 0.718027 0.547438 0.195 Uiso 1 1 calc GR . . . .
H9C H 0.646671 0.729764 0.631454 0.195 Uiso 1 1 calc GR . . . .
C10 C 0.8103(4) 0.7808(3) 0.7121(4) 0.0609(16) Uani 1 1 d . . . . .
H10 H 0.770270 0.781004 0.743768 0.073 Uiso 1 1 calc R . . . .
C11 C 0.8961(3) 0.8134(2) 0.7406(3) 0.0405(12) Uani 1 1 d . . . . .
C12 C 0.9293(3) 0.8491(3) 0.8204(3) 0.0412(12) Uani 1 1 d . . . . .
C13 C 0.8785(4) 0.8514(3) 0.8743(4) 0.0596(15) Uani 1 1 d . . . . .
H13 H 0.819407 0.831248 0.859849 0.072 Uiso 1 1 calc R . . . .
C14 C 0.9140(5) 0.8833(3) 0.9498(4) 0.0652(17) Uani 1 1 d . . . . .
C15 C 0.8582(6) 0.8900(4) 1.0074(4) 0.108(3) Uani 1 1 d . . . . .
H15A H 0.813368 0.927294 0.989599 0.163 Uiso 1 1 calc GR . . . .
H15B H 0.898950 0.900666 1.060850 0.163 Uiso 1 1 calc GR . . . .
H15C H 0.826229 0.846493 1.008891 0.163 Uiso 1 1 calc GR . . . .
C16 C 1.0032(5) 0.9103(3) 0.9696(4) 0.0666(17) Uani 1 1 d . . . . .
H16 H 1.031094 0.929727 1.020734 0.080 Uiso 1 1 calc R . . . .
C17 C 1.0509(4) 0.9082(3) 0.9124(3) 0.0568(15) Uani 1 1 d . . . . .
H17 H 1.110568 0.927388 0.925762 0.068 Uiso 1 1 calc R . . . .
C18 C 0.9075(3) 1.1524(2) 0.6584(3) 0.0331(11) Uani 1 1 d . . . . .
C19 C 0.9282(3) 1.0782(2) 0.6569(3) 0.0308(10) Uani 1 1 d . . . . .
C20 C 0.8920(3) 0.9709(2) 0.6227(3) 0.0370(11) Uani 1 1 d . . . . .
H20 H 0.858303 0.931549 0.597893 0.044 Uiso 1 1 calc R . . . .
C21 C 1.0008(3) 1.0350(2) 0.6970(3) 0.0324(10) Uani 1 1 d . . . . .
C22 C 1.0926(3) 1.0459(2) 0.7537(3) 0.0362(11) Uani 1 1 d . . . . .
C23 C 0.6558(4) 1.0787(3) 0.6780(3) 0.0525(14) Uani 1 1 d . . . . .
H23 H 0.682588 1.122594 0.694174 0.063 Uiso 1 1 calc R . . . .
C24 C 0.6152(4) 1.0435(3) 0.7282(4) 0.0662(17) Uani 1 1 d . . . . .
H24 H 0.615501 1.063221 0.777507 0.079 Uiso 1 1 calc R . . . .
C25 C 0.5740(4) 0.9783(3) 0.7046(4) 0.0638(16) Uani 1 1 d . . . . .
C26 C 0.5278(6) 0.9377(4) 0.7569(5) 0.107(3) Uani 1 1 d . . . . .
H26A H 0.492707 0.899270 0.726185 0.160 Uiso 1 1 calc GR . . . .
H26B H 0.486759 0.968442 0.774033 0.160 Uiso 1 1 calc GR . . . .
H26C H 0.574695 0.919641 0.803868 0.160 Uiso 1 1 calc GR . . . .
C27 C 0.5765(4) 0.9517(3) 0.6316(4) 0.0538(14) Uani 1 1 d . . . . .
H27 H 0.549818 0.907982 0.614116 0.065 Uiso 1 1 calc R . . . .
C28 C 0.6183(3) 0.9892(2) 0.5838(3) 0.0406(12) Uani 1 1 d . . . . .
C29 C 0.6241(3) 0.9625(2) 0.5049(3) 0.0398(12) Uani 1 1 d . . . . .
C30 C 0.5828(4) 0.9007(3) 0.4689(3) 0.0524(14) Uani 1 1 d . . . . .
H30 H 0.548297 0.873974 0.494577 0.063 Uiso 1 1 calc R . . . .
C31 C 0.5915(4) 0.8776(3) 0.3958(4) 0.0581(16) Uani 1 1 d . . . . .
C32 C 0.5447(4) 0.8107(3) 0.3575(4) 0.090(2) Uani 1 1 d . . . . .
H32A H 0.534149 0.812509 0.299774 0.134 Uiso 1 1 calc GR . . . .
H32B H 0.486069 0.805705 0.368099 0.134 Uiso 1 1 calc GR . . . .
H32C H 0.583921 0.771173 0.379962 0.134 Uiso 1 1 calc GR . . . .
C33 C 0.6427(4) 0.9191(3) 0.3609(4) 0.0678(17) Uani 1 1 d . . . . .
H33 H 0.650258 0.905941 0.311497 0.081 Uiso 1 1 calc R . . . .
C34 C 0.6826(4) 0.9797(3) 0.3978(3) 0.0582(15) Uani 1 1 d . . . . .
H34 H 0.716973 1.006806 0.372357 0.070 Uiso 1 1 calc R . . . .


_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
Zn1 N4 2.219(4) 3_776 ?
Zn1 N5 2.119(4) 3_776 ?
Zn1 N18 2.122(4) . ?
Zn1 N22 2.225(4) . ?
Zn1 N23 2.167(4) . ?
Zn1 N24 2.113(4) . ?
Zn2 N1 2.005(4) 2_756 ?
Zn2 N7 1.993(4) 2_756 ?
Zn2 N16 2.002(4) . ?
Zn2 N19 1.985(4) . ?
Zn3 N6 2.058(4) . ?
Zn3 N10 2.307(4) . ?
Zn3 N11 2.192(4) . ?
Zn3 N12 2.118(4) . ?
Zn3 N13 2.273(4) . ?
Zn3 N17 2.125(4) . ?
N1 N2 1.363(5) . ?
N1 C1 1.328(5) . ?
N2 N3 1.301(5) . ?
N3 N4 1.353(5) . ?
N4 C1 1.329(5) . ?
N5 C2 1.383(5) . ?
N5 C3 1.334(6) . ?
N6 C3 1.331(6) . ?
N6 C4 1.383(5) . ?
N7 N8 1.360(5) . ?
N7 C5 1.323(5) . ?
N8 N9 1.297(6) . ?
N9 N10 1.360(5) . ?
N10 C5 1.332(6) . ?
N11 C6 1.330(6) . ?
N11 C11 1.342(6) . ?
N12 C12 1.342(6) . ?
N12 C17 1.344(6) . ?
N13 N14 1.362(5) . ?
N13 C22 1.324(6) . ?
N14 N15 1.298(6) . ?
N15 N16 1.366(5) . ?
N16 C22 1.335(5) . ?
N17 C20 1.331(5) . ?
N17 C21 1.370(5) . ?
N18 C19 1.376(5) . ?
N18 C20 1.339(5) . ?
N19 N20 1.366(5) . ?
N19 C18 1.323(5) . ?
N20 N21 1.306(5) . ?
N21 N22 1.363(5) . ?
N22 C18 1.326(5) . ?
N23 C29 1.348(6) . ?
N23 C34 1.344(6) . ?
N24 C23 1.328(6) . ?
N24 C28 1.349(6) . ?
C1 C2 1.441(6) . ?
C2 C4 1.366(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.446(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.363(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.377(8) . ?
C8 C9 1.526(8) . ?
C8 C10 1.383(8) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10 0.9300 . ?
C10 C11 1.379(7) . ?
C11 C12 1.480(7) . ?
C12 C13 1.374(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.388(8) . ?
C14 C15 1.493(8) . ?
C14 C16 1.379(8) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16 0.9300 . ?
C16 C17 1.389(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.443(6) . ?
C19 C21 1.373(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.442(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.378(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.387(8) . ?
C25 C26 1.509(7) . ?
C25 C27 1.370(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27 0.9300 . ?
C27 C28 1.380(7) . ?
C28 C29 1.480(7) . ?
C29 C30 1.383(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.379(7) . ?
C31 C32 1.503(7) . ?
C31 C33 1.365(8) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33 0.9300 . ?
C33 C34 1.360(7) . ?
C34 H34 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
N4 Zn1 N22 93.43(14) 3_776 . ?
N5 Zn1 N4 78.13(14) 3_776 3_776 ?
N5 Zn1 N18 93.76(14) 3_776 . ?
N5 Zn1 N22 90.97(15) 3_776 . ?
N5 Zn1 N23 93.13(15) 3_776 . ?
N18 Zn1 N4 167.70(14) . 3_776 ?
N18 Zn1 N22 77.32(14) . . ?
N18 Zn1 N23 93.48(14) . . ?
N23 Zn1 N4 96.16(14) . 3_776 ?
N23 Zn1 N22 170.17(14) . . ?
N24 Zn1 N4 98.50(14) . 3_776 ?
N24 Zn1 N5 168.81(14) . 3_776 ?
N24 Zn1 N18 91.16(14) . . ?
N24 Zn1 N22 99.92(15) . . ?
N24 Zn1 N23 76.53(15) . . ?
N7 Zn2 N1 104.94(15) 2_756 2_756 ?
N7 Zn2 N16 110.02(16) 2_756 . ?
N16 Zn2 N1 112.65(16) . 2_756 ?
N19 Zn2 N1 105.34(16) . 2_756 ?
N19 Zn2 N7 117.79(16) . 2_756 ?
N19 Zn2 N16 106.17(15) . . ?
N6 Zn3 N10 76.93(14) . . ?
N6 Zn3 N11 97.71(15) . . ?
N6 Zn3 N12 165.79(15) . . ?
N6 Zn3 N13 96.28(15) . . ?
N6 Zn3 N17 95.62(14) . . ?
N11 Zn3 N10 104.53(15) . . ?
N11 Zn3 N13 158.45(14) . . ?
N12 Zn3 N10 92.49(15) . . ?
N12 Zn3 N11 75.54(16) . . ?
N12 Zn3 N13 93.97(16) . . ?
N12 Zn3 N17 96.34(15) . . ?
N13 Zn3 N10 94.54(15) . . ?
N17 Zn3 N10 167.67(15) . . ?
N17 Zn3 N11 86.05(14) . . ?
N17 Zn3 N13 76.33(14) . . ?
N2 N1 Zn2 122.3(3) . 2_746 ?
C1 N1 Zn2 131.6(3) . 2_746 ?
C1 N1 N2 106.0(4) . . ?
N3 N2 N1 108.1(4) . . ?
N2 N3 N4 109.8(4) . . ?
N3 N4 Zn1 144.1(3) . 3_776 ?
C1 N4 Zn1 110.4(3) . 3_776 ?
C1 N4 N3 105.5(4) . . ?
C2 N5 Zn1 113.5(3) . 3_776 ?
C3 N5 Zn1 139.7(3) . 3_776 ?
C3 N5 C2 104.2(4) . . ?
C3 N6 Zn3 137.4(3) . . ?
C3 N6 C4 104.5(4) . . ?
C4 N6 Zn3 117.4(3) . . ?
N8 N7 Zn2 123.3(3) . 2_746 ?
C5 N7 Zn2 131.0(3) . 2_746 ?
C5 N7 N8 105.4(4) . . ?
N9 N8 N7 109.1(4) . . ?
N8 N9 N10 109.2(4) . . ?
N9 N10 Zn3 145.2(3) . . ?
C5 N10 Zn3 109.5(3) . . ?
C5 N10 N9 105.2(4) . . ?
C6 N11 Zn3 126.6(4) . . ?
C6 N11 C11 117.6(4) . . ?
C11 N11 Zn3 114.0(3) . . ?
C12 N12 Zn3 116.3(3) . . ?
C12 N12 C17 118.9(5) . . ?
C17 N12 Zn3 124.5(4) . . ?
N14 N13 Zn3 143.9(3) . . ?
C22 N13 Zn3 110.5(3) . . ?
C22 N13 N14 105.5(4) . . ?
N15 N14 N13 109.7(4) . . ?
N14 N15 N16 108.3(4) . . ?
N15 N16 Zn2 121.9(3) . . ?
C22 N16 Zn2 132.3(3) . . ?
C22 N16 N15 105.8(4) . . ?
C20 N17 Zn3 139.4(3) . . ?
C20 N17 C21 103.9(4) . . ?
C21 N17 Zn3 116.1(3) . . ?
C19 N18 Zn1 113.9(3) . . ?
C20 N18 Zn1 141.9(3) . . ?
C20 N18 C19 104.2(3) . . ?
N20 N19 Zn2 122.5(3) . . ?
C18 N19 Zn2 131.7(3) . . ?
C18 N19 N20 105.7(4) . . ?
N21 N20 N19 108.7(4) . . ?
N20 N21 N22 108.9(4) . . ?
N21 N22 Zn1 140.6(3) . . ?
C18 N22 Zn1 109.7(3) . . ?
C18 N22 N21 105.6(3) . . ?
C29 N23 Zn1 115.0(3) . . ?
C34 N23 Zn1 127.3(3) . . ?
C34 N23 C29 117.7(4) . . ?
C23 N24 Zn1 124.5(3) . . ?
C23 N24 C28 118.3(4) . . ?
C28 N24 Zn1 116.4(3) . . ?
N1 C1 N4 110.6(4) . . ?
N1 C1 C2 128.9(4) . . ?
N4 C1 C2 120.5(4) . . ?
N5 C2 C1 116.2(4) . . ?
C4 C2 N5 108.6(4) . . ?
C4 C2 C1 135.1(4) . . ?
N5 C3 H3 122.8 . . ?
N6 C3 N5 114.4(4) . . ?
N6 C3 H3 122.8 . . ?
N6 C4 C5 116.6(4) . . ?
C2 C4 N6 108.2(4) . . ?
C2 C4 C5 135.0(4) . . ?
N7 C5 N10 111.1(4) . . ?
N7 C5 C4 129.5(4) . . ?
N10 C5 C4 119.4(4) . . ?
N11 C6 H6 118.2 . . ?
N11 C6 C7 123.6(6) . . ?
C7 C6 H6 118.2 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 119.9(6) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 C9 121.8(6) . . ?
C7 C8 C10 116.6(5) . . ?
C10 C8 C9 121.5(6) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10 119.6 . . ?
C11 C10 C8 120.8(6) . . ?
C11 C10 H10 119.6 . . ?
N11 C11 C10 121.4(5) . . ?
N11 C11 C12 115.3(4) . . ?
C10 C11 C12 123.3(5) . . ?
N12 C12 C11 116.0(4) . . ?
N12 C12 C13 121.0(5) . . ?
C13 C12 C11 123.1(5) . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 121.0(6) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 C15 122.0(6) . . ?
C16 C14 C13 117.4(6) . . ?
C16 C14 C15 120.5(6) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16 120.3 . . ?
C14 C16 C17 119.4(6) . . ?
C17 C16 H16 120.3 . . ?
N12 C17 C16 122.1(5) . . ?
N12 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
N19 C18 N22 111.2(4) . . ?
N19 C18 C19 129.2(4) . . ?
N22 C18 C19 119.6(4) . . ?
N18 C19 C18 116.2(4) . . ?
C21 C19 N18 107.9(4) . . ?
C21 C19 C18 135.7(4) . . ?
N17 C20 N18 114.7(4) . . ?
N17 C20 H20 122.6 . . ?
N18 C20 H20 122.6 . . ?
N17 C21 C19 109.3(4) . . ?
N17 C21 C22 115.8(4) . . ?
C19 C21 C22 135.0(4) . . ?
N13 C22 N16 110.7(4) . . ?
N13 C22 C21 120.8(4) . . ?
N16 C22 C21 128.5(4) . . ?
N24 C23 H23 118.7 . . ?
N24 C23 C24 122.7(5) . . ?
C24 C23 H23 118.7 . . ?
C23 C24 H24 120.2 . . ?
C23 C24 C25 119.6(5) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C26 121.8(6) . . ?
C27 C25 C24 117.5(5) . . ?
C27 C25 C26 120.7(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27 119.8 . . ?
C25 C27 C28 120.5(5) . . ?
C28 C27 H27 119.8 . . ?
N24 C28 C27 121.5(5) . . ?
N24 C28 C29 115.8(4) . . ?
C27 C28 C29 122.7(5) . . ?
N23 C29 C28 115.6(4) . . ?
N23 C29 C30 120.4(5) . . ?
C30 C29 C28 124.0(5) . . ?
C29 C30 H30 119.2 . . ?
C31 C30 C29 121.7(5) . . ?
C31 C30 H30 119.2 . . ?
C30 C31 C32 120.5(6) . . ?
C33 C31 C30 116.5(5) . . ?
C33 C31 C32 123.0(6) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33 119.7 . . ?
C34 C33 C31 120.6(6) . . ?
C34 C33 H33 119.7 . . ?
N23 C34 C33 123.1(5) . . ?
N23 C34 H34 118.4 . . ?
C33 C34 H34 118.4 . . ?

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
Zn1 N4 C1 N1 -179.3(3) 3_776 . . . ?
Zn1 N4 C1 C2 -0.5(5) 3_776 . . . ?
Zn1 N5 C2 C1 -12.3(5) 3_776 . . . ?
Zn1 N5 C2 C4 165.9(3) 3_776 . . . ?
Zn1 N5 C3 N6 -159.4(4) 3_776 . . . ?
Zn1 N18 C19 C18 5.1(5) . . . . ?
Zn1 N18 C19 C21 -178.6(3) . . . . ?
Zn1 N18 C20 N17 178.8(4) . . . . ?
Zn1 N22 C18 N19 162.0(3) . . . . ?
Zn1 N22 C18 C19 -18.7(5) . . . . ?
Zn1 N23 C29 C28 2.0(5) . . . . ?
Zn1 N23 C29 C30 -176.9(4) . . . . ?
Zn1 N23 C34 C33 176.6(4) . . . . ?
Zn1 N24 C23 C24 -168.1(4) . . . . ?
Zn1 N24 C28 C27 169.2(4) . . . . ?
Zn1 N24 C28 C29 -9.6(5) . . . . ?
Zn2 N1 N2 N3 179.5(3) 2_746 . . . ?
Zn2 N1 C1 N4 -179.7(3) 2_746 . . . ?
Zn2 N1 C1 C2 1.6(7) 2_746 . . . ?
Zn2 N7 N8 N9 -175.4(3) 2_746 . . . ?
Zn2 N7 C5 N10 174.4(3) 2_746 . . . ?
Zn2 N7 C5 C4 -6.5(8) 2_746 . . . ?
Zn2 N16 C22 N13 -176.6(3) . . . . ?
Zn2 N16 C22 C21 5.0(8) . . . . ?
Zn2 N19 N20 N21 -176.2(3) . . . . ?
Zn2 N19 C18 N22 175.5(3) . . . . ?
Zn2 N19 C18 C19 -3.7(8) . . . . ?
Zn3 N6 C3 N5 169.4(3) . . . . ?
Zn3 N6 C4 C2 -171.6(3) . . . . ?
Zn3 N6 C4 C5 3.7(5) . . . . ?
Zn3 N10 C5 N7 -176.3(3) . . . . ?
Zn3 N10 C5 C4 4.5(5) . . . . ?
Zn3 N11 C6 C7 -164.2(4) . . . . ?
Zn3 N11 C11 C10 166.8(4) . . . . ?
Zn3 N11 C11 C12 -13.9(5) . . . . ?
Zn3 N12 C12 C11 11.7(5) . . . . ?
Zn3 N12 C12 C13 -168.8(4) . . . . ?
Zn3 N12 C17 C16 169.7(4) . . . . ?
Zn3 N13 N14 N15 175.8(4) . . . . ?
Zn3 N13 C22 N16 -177.7(3) . . . . ?
Zn3 N13 C22 C21 0.9(5) . . . . ?
Zn3 N17 C20 N18 170.3(3) . . . . ?
Zn3 N17 C21 C19 -172.3(3) . . . . ?
Zn3 N17 C21 C22 8.4(5) . . . . ?
N1 N2 N3 N4 0.4(6) . . . . ?
N1 C1 C2 N5 -172.7(4) . . . . ?
N1 C1 C2 C4 9.6(9) . . . . ?
N2 N1 C1 N4 0.0(5) . . . . ?
N2 N1 C1 C2 -178.7(5) . . . . ?
N2 N3 N4 Zn1 178.9(4) . . . 3_776 ?
N2 N3 N4 C1 -0.4(5) . . . . ?
N3 N4 C1 N1 0.3(5) . . . . ?
N3 N4 C1 C2 179.1(4) . . . . ?
N4 C1 C2 N5 8.7(6) . . . . ?
N4 C1 C2 C4 -169.0(5) . . . . ?
N5 C2 C4 N6 -0.5(5) . . . . ?
N5 C2 C4 C5 -174.5(5) . . . . ?
N6 C4 C5 N7 175.2(5) . . . . ?
N6 C4 C5 N10 -5.7(6) . . . . ?
N7 N8 N9 N10 0.9(6) . . . . ?
N8 N7 C5 N10 0.1(5) . . . . ?
N8 N7 C5 C4 179.2(5) . . . . ?
N8 N9 N10 Zn3 173.8(4) . . . . ?
N8 N9 N10 C5 -0.8(6) . . . . ?
N9 N10 C5 N7 0.4(5) . . . . ?
N9 N10 C5 C4 -178.8(4) . . . . ?
N11 C6 C7 C8 -0.8(9) . . . . ?
N11 C11 C12 N12 1.9(6) . . . . ?
N11 C11 C12 C13 -177.6(5) . . . . ?
N12 C12 C13 C14 -1.9(8) . . . . ?
N13 N14 N15 N16 -0.8(6) . . . . ?
N14 N13 C22 N16 -1.0(5) . . . . ?
N14 N13 C22 C21 177.5(4) . . . . ?
N14 N15 N16 Zn2 177.7(3) . . . . ?
N14 N15 N16 C22 0.2(6) . . . . ?
N15 N16 C22 N13 0.5(5) . . . . ?
N15 N16 C22 C21 -177.9(5) . . . . ?
N17 C21 C22 N13 -6.1(7) . . . . ?
N17 C21 C22 N16 172.1(4) . . . . ?
N18 C19 C21 N17 -1.1(5) . . . . ?
N18 C19 C21 C22 178.1(5) . . . . ?
N19 N20 N21 N22 0.4(6) . . . . ?
N19 C18 C19 N18 -170.8(5) . . . . ?
N19 C18 C19 C21 14.4(9) . . . . ?
N20 N19 C18 N22 0.3(5) . . . . ?
N20 N19 C18 C19 -178.8(5) . . . . ?
N20 N21 N22 Zn1 -153.1(4) . . . . ?
N20 N21 N22 C18 -0.2(5) . . . . ?
N21 N22 C18 N19 -0.1(5) . . . . ?
N21 N22 C18 C19 179.2(4) . . . . ?
N22 C18 C19 N18 10.1(6) . . . . ?
N22 C18 C19 C21 -164.8(5) . . . . ?
N23 C29 C30 C31 -0.3(8) . . . . ?
N24 C23 C24 C25 -0.8(9) . . . . ?
N24 C28 C29 N23 4.9(6) . . . . ?
N24 C28 C29 C30 -176.3(4) . . . . ?
C1 N1 N2 N3 -0.3(5) . . . . ?
C1 C2 C4 N6 177.3(5) . . . . ?
C1 C2 C4 C5 3.2(10) . . . . ?
C2 N5 C3 N6 -0.2(5) . . . . ?
C2 C4 C5 N7 -11.1(9) . . . . ?
C2 C4 C5 N10 168.0(5) . . . . ?
C3 N5 C2 C1 -177.8(4) . . . . ?
C3 N5 C2 C4 0.4(5) . . . . ?
C3 N6 C4 C2 0.3(5) . . . . ?
C3 N6 C4 C5 175.7(4) . . . . ?
C4 N6 C3 N5 -0.1(6) . . . . ?
C5 N7 N8 N9 -0.6(6) . . . . ?
C6 N11 C11 C10 1.1(7) . . . . ?
C6 N11 C11 C12 -179.5(4) . . . . ?
C6 C7 C8 C9 -178.9(6) . . . . ?
C6 C7 C8 C10 1.5(9) . . . . ?
C7 C8 C10 C11 -1.1(9) . . . . ?
C8 C10 C11 N11 -0.3(8) . . . . ?
C8 C10 C11 C12 -179.6(5) . . . . ?
C9 C8 C10 C11 179.4(6) . . . . ?
C10 C11 C12 N12 -178.8(5) . . . . ?
C10 C11 C12 C13 1.7(8) . . . . ?
C11 N11 C6 C7 -0.6(8) . . . . ?
C11 C12 C13 C14 177.6(5) . . . . ?
C12 N12 C17 C16 -2.8(8) . . . . ?
C12 C13 C14 C15 176.5(5) . . . . ?
C12 C13 C14 C16 -2.2(9) . . . . ?
C13 C14 C16 C17 3.7(9) . . . . ?
C14 C16 C17 N12 -1.3(9) . . . . ?
C15 C14 C16 C17 -175.0(6) . . . . ?
C17 N12 C12 C11 -175.1(4) . . . . ?
C17 N12 C12 C13 4.4(7) . . . . ?
C18 N19 N20 N21 -0.4(6) . . . . ?
C18 C19 C21 N17 174.1(5) . . . . ?
C18 C19 C21 C22 -6.7(9) . . . . ?
C19 N18 C20 N17 -0.9(5) . . . . ?
C19 C21 C22 N13 174.7(5) . . . . ?
C19 C21 C22 N16 -7.0(9) . . . . ?
C20 N17 C21 C19 0.5(5) . . . . ?
C20 N17 C21 C22 -178.9(4) . . . . ?
C20 N18 C19 C18 -175.1(4) . . . . ?
C20 N18 C19 C21 1.1(5) . . . . ?
C21 N17 C20 N18 0.2(5) . . . . ?
C22 N13 N14 N15 1.1(6) . . . . ?
C23 N24 C28 C27 -0.7(7) . . . . ?
C23 N24 C28 C29 -179.5(4) . . . . ?
C23 C24 C25 C26 -179.5(6) . . . . ?
C23 C24 C25 C27 0.5(9) . . . . ?
C24 C25 C27 C28 -0.4(9) . . . . ?
C25 C27 C28 N24 0.5(8) . . . . ?
C25 C27 C28 C29 179.2(5) . . . . ?
C26 C25 C27 C28 179.6(5) . . . . ?
C27 C28 C29 N23 -173.9(4) . . . . ?
C27 C28 C29 C30 4.9(8) . . . . ?
C28 N24 C23 C24 0.8(8) . . . . ?
C28 C29 C30 C31 -179.0(5) . . . . ?
C29 N23 C34 C33 -0.6(8) . . . . ?
C29 C30 C31 C32 -179.1(5) . . . . ?
C29 C30 C31 C33 -0.2(8) . . . . ?
C30 C31 C33 C34 0.3(9) . . . . ?
C31 C33 C34 N23 0.1(10) . . . . ?
C32 C31 C33 C34 179.2(6) . . . . ?
C34 N23 C29 C28 179.5(4) . . . . ?
C34 N23 C29 C30 0.7(7) . . . . ?



_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1944008'
loop_
_audit_author_name
_audit_author_address
Zn
;Zhongyuan University of Technology
China
;
_audit_update_record             
;
2019-08-26 deposited with the CCDC.	2019-09-27 downloaded from the CCDC.
;
_audit_creation_date             2019-08-25
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C10 H8 N20 O3 Zn3, O'
_chemical_formula_sum            'C10 H10 N20 O4 Zn3'
_chemical_formula_weight         670.49
_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   20.348(4)
_cell_length_b                   12.590(3)
_cell_length_c                   19.354(4)
_cell_angle_alpha                90
_cell_angle_beta                 117.33(3)
_cell_angle_gamma                90
_cell_volume                     4404.6(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5893
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8724
_cell_measurement_theta_min      2.0072
_shelx_estimated_absorpt_T_max   0.619
_shelx_estimated_absorpt_T_min   0.557
_exptl_absorpt_coefficient_mu    3.310
_exptl_absorpt_correction_T_max  0.6195
_exptl_absorpt_correction_T_min  0.5574
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16809
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_min         1.971
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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                3590
_reflns_number_total             4106
_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       ?
_computing_data_collection       'Rigaku Saturn 724 CCD'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'SHELXL(Sheldrick, 2018)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.390
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         4106
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.138
_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)+(0.0341P)²+8.7979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0964
_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) groups
2. Restrained distances
 O1-H1A
 0.85 with sigma of 0.02
 O2-H2A
 0.85 with sigma of 0.02
 O2-H2B
 0.85 with sigma of 0.02
 O3-H3A
 0.85 with sigma of 0.02
 O3-H3B
 0.85 with sigma of 0.02
 H3A-H3B
 1.42 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O4) = Uanis(O0AA)
4. Others
 Sof(O4)=1-FVAR(1)
 Sof(O0AA)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C6(H6)
;
_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
Zn1 Zn 0.14020(3) -0.03621(4) 0.28704(3) 0.03706(17) Uani 1 1 d . . . . .
Zn2 Zn 0.14291(3) 0.54308(4) -0.16476(3) 0.03614(16) Uani 1 1 d . . . . .
Zn3 Zn 0.03228(3) 0.25231(4) 0.00647(3) 0.03184(15) Uani 1 1 d . . . . .
O1 O 0.2524(3) -0.0505(4) 0.3422(4) 0.0832(15) Uani 1 1 d D . . . .
O2 O -0.0783(3) 0.2587(3) -0.0427(3) 0.0660(12) Uani 1 1 d D . . . .
O3 O 0.2507(3) 0.5880(6) -0.1106(4) 0.1034(19) Uani 1 1 d D . . . .
O0AA O 0.2693(6) 0.3743(12) -0.0062(7) 0.205(6) Uani 0.712(11) 1 d . . P A 1
O4 O 0.2785(18) 0.285(3) -0.0534(19) 0.205(6) Uani 0.288(11) 1 d . . P A 2
N1 N 0.0925(2) 0.3653(3) 0.2410(2) 0.0372(9) Uani 1 1 d . . . . .
N2 N 0.0643(2) 0.2993(3) 0.1227(2) 0.0345(9) Uani 1 1 d . . . . .
N3 N 0.1352(3) 0.2644(3) 0.3839(2) 0.0521(12) Uani 1 1 d . . . . .
N4 N 0.1568(3) 0.1945(4) 0.4431(3) 0.0644(15) Uani 1 1 d . . . . .
N5 N 0.1562(3) 0.0988(3) 0.4177(2) 0.0605(14) Uani 1 1 d . . . . .
N6 N 0.1326(3) 0.1024(3) 0.3395(2) 0.0443(11) Uani 1 1 d . . . . .
N7 N 0.1033(2) 0.0172(3) 0.1773(2) 0.0315(9) Uani 1 1 d . . . . .
N8 N 0.1011(2) -0.0483(3) 0.1198(2) 0.0366(9) Uani 1 1 d . . . . .
N9 N 0.0821(2) 0.0055(3) 0.0567(2) 0.0411(10) Uani 1 1 d . . . . .
N10 N 0.0719(2) 0.1081(3) 0.0701(2) 0.0360(9) Uani 1 1 d . . . . .
N11 N 0.0558(2) 0.2070(3) -0.0871(2) 0.0355(9) Uani 1 1 d . . . . .
N12 N 0.0920(2) 0.1400(3) -0.1716(2) 0.0380(10) Uani 1 1 d . . . . .
N13 N 0.1647(3) 0.2369(3) -0.2492(3) 0.0482(11) Uani 1 1 d . . . . .
N14 N 0.1968(3) 0.3064(4) -0.2775(3) 0.0560(13) Uani 1 1 d . . . . .
N15 N 0.1896(3) 0.4025(4) -0.2571(2) 0.0504(12) Uani 1 1 d . . . . .
N16 N 0.1518(2) 0.3991(3) -0.2147(2) 0.0386(10) Uani 1 1 d . . . . .
N17 N 0.1067(2) 0.4867(3) -0.0918(2) 0.0307(9) Uani 1 1 d . . . . .
N18 N 0.1060(2) 0.5503(3) -0.0352(2) 0.0371(10) Uani 1 1 d . . . . .
N19 N 0.0845(2) 0.4954(3) 0.0073(2) 0.0387(10) Uani 1 1 d . . . . .
N20 N 0.0711(2) 0.3945(3) -0.0197(2) 0.0343(9) Uani 1 1 d . . . . .
C1 C 0.0720(3) 0.3860(3) 0.1659(3) 0.0374(11) Uani 1 1 d . . . . .
H1 H 0.063945 0.454430 0.145542 0.045 Uiso 1 1 calc R . . . .
C2 C 0.0982(3) 0.2560(3) 0.2467(3) 0.0337(11) Uani 1 1 d . . . . .
C3 C 0.0815(3) 0.2159(3) 0.1751(3) 0.0317(10) Uani 1 1 d . . . . .
C4 C 0.1212(3) 0.2063(3) 0.3222(3) 0.0405(12) Uani 1 1 d . . . . .
C5 C 0.0850(3) 0.1132(3) 0.1438(3) 0.0312(10) Uani 1 1 d . . . . .
C6 C 0.0644(3) 0.1203(3) -0.1217(3) 0.0385(12) Uani 1 1 d . . . . .
H6 H 0.052451 0.052451 -0.112116 0.046 Uiso 1 1 calc R . . . .
C7 C 0.1029(3) 0.2491(3) -0.1684(3) 0.0325(10) Uani 1 1 d . . . . .
C8 C 0.0802(3) 0.2890(3) -0.1169(3) 0.0319(10) Uani 1 1 d . . . . .
C9 C 0.1378(3) 0.2964(3) -0.2108(3) 0.0359(11) Uani 1 1 d . . . . .
C10 C 0.0857(2) 0.3909(3) -0.0799(2) 0.0295(10) Uani 1 1 d . . . . .
H2A H -0.098(3) 0.216(3) -0.083(2) 0.044 Uiso 1 1 d DR . . . .
H2B H -0.087(3) 0.3268(17) -0.045(3) 0.044 Uiso 1 1 d DR . . . .
H3A H 0.263(6) 0.629(8) -0.071(5) 0.24(7) Uiso 1 1 d D . . . .
H3B H 0.287(5) 0.554(13) -0.109(9) 0.45(13) Uiso 1 1 d D . . . .
H1A H 0.279(7) -0.027(10) 0.389(3) 0.28(9) Uiso 1 1 d D . . . .
H1B H 0.281(4) -0.008(6) 0.318(5) 0.12(3) Uiso 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
Zn1 O1 2.037(5) . ?
Zn1 N6 2.060(4) . ?
Zn1 N7 2.015(3) . ?
Zn1 N12 2.007(4) 6_556 ?
Zn2 O3 2.030(5) . ?
Zn2 N1 1.997(4) 6_565 ?
Zn2 N16 2.101(4) . ?
Zn2 N17 1.999(3) . ?
Zn3 O2 2.002(5) . ?
Zn3 N2 2.119(4) . ?
Zn3 N10 2.134(4) . ?
Zn3 N11 2.153(4) . ?
Zn3 N20 2.110(3) . ?
O1 H1A 0.86(2) . ?
O1 H1B 1.04(8) . ?
O2 H2A 0.875(19) . ?
O2 H2B 0.870(19) . ?
O3 H3A 0.86(2) . ?
O3 H3B 0.85(2) . ?
N1 C1 1.343(5) . ?
N1 C2 1.381(5) . ?
N2 C1 1.339(6) . ?
N2 C3 1.387(5) . ?
N3 N4 1.350(6) . ?
N3 C4 1.315(6) . ?
N4 N5 1.300(6) . ?
N5 N6 1.364(5) . ?
N6 C4 1.344(6) . ?
N7 N8 1.370(5) . ?
N7 C5 1.341(5) . ?
N8 N9 1.291(5) . ?
N9 N10 1.353(5) . ?
N10 C5 1.327(5) . ?
N11 C6 1.333(5) . ?
N11 C8 1.380(5) . ?
N12 C6 1.345(5) . ?
N12 C7 1.388(5) . ?
N13 N14 1.349(6) . ?
N13 C9 1.337(5) . ?
N14 N15 1.302(6) . ?
N15 N16 1.358(5) . ?
N16 C9 1.334(6) . ?
N17 N18 1.363(5) . ?
N17 C10 1.335(5) . ?
N18 N19 1.295(5) . ?
N19 N20 1.353(5) . ?
N20 C10 1.329(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.364(6) . ?
C2 C4 1.454(6) . ?
C3 C5 1.443(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.372(6) . ?
C7 C9 1.438(6) . ?
C8 C10 1.449(6) . ?

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
O1 Zn1 N6 97.8(2) . . ?
N7 Zn1 O1 111.6(2) . . ?
N7 Zn1 N6 99.21(14) . . ?
N12 Zn1 O1 111.63(19) 6_556 . ?
N12 Zn1 N6 101.20(15) 6_556 . ?
N12 Zn1 N7 128.59(16) 6_556 . ?
O3 Zn2 N16 100.2(2) . . ?
N1 Zn2 O3 106.9(2) 6_565 . ?
N1 Zn2 N16 101.24(15) 6_565 . ?
N1 Zn2 N17 130.39(16) 6_565 . ?
N17 Zn2 O3 113.3(2) . . ?
N17 Zn2 N16 99.00(14) . . ?
O2 Zn3 N2 102.95(17) . . ?
O2 Zn3 N10 110.67(17) . . ?
O2 Zn3 N11 104.29(17) . . ?
O2 Zn3 N20 108.32(17) . . ?
N2 Zn3 N10 76.93(14) . . ?
N2 Zn3 N11 152.69(16) . . ?
N10 Zn3 N11 95.14(14) . . ?
N20 Zn3 N2 92.95(13) . . ?
N20 Zn3 N10 140.98(16) . . ?
N20 Zn3 N11 76.71(13) . . ?
Zn1 O1 H1A 123(10) . . ?
Zn1 O1 H1B 116(4) . . ?
H1A O1 H1B 94(9) . . ?
Zn3 O2 H2A 111(3) . . ?
Zn3 O2 H2B 102(3) . . ?
H2A O2 H2B 124(5) . . ?
Zn2 O3 H3A 115(8) . . ?
Zn2 O3 H3B 127(10) . . ?
H3A O3 H3B 113(4) . . ?
C1 N1 Zn2 130.6(3) . 6_566 ?
C1 N1 C2 104.6(4) . . ?
C2 N1 Zn2 120.9(3) . 6_566 ?
C1 N2 Zn3 141.3(3) . . ?
C1 N2 C3 104.1(4) . . ?
C3 N2 Zn3 114.6(3) . . ?
C4 N3 N4 105.0(4) . . ?
N5 N4 N3 109.9(4) . . ?
N4 N5 N6 109.0(4) . . ?
N5 N6 Zn1 116.8(3) . . ?
C4 N6 Zn1 138.2(3) . . ?
C4 N6 N5 104.0(4) . . ?
N8 N7 Zn1 120.8(3) . . ?
C5 N7 Zn1 134.2(3) . . ?
C5 N7 N8 104.6(3) . . ?
N9 N8 N7 109.7(3) . . ?
N8 N9 N10 108.9(3) . . ?
N9 N10 Zn3 138.8(3) . . ?
C5 N10 Zn3 114.6(3) . . ?
C5 N10 N9 106.3(4) . . ?
C6 N11 Zn3 140.4(3) . . ?
C6 N11 C8 104.3(3) . . ?
C8 N11 Zn3 114.5(3) . . ?
C6 N12 Zn1 127.5(3) . 6 ?
C6 N12 C7 105.1(4) . . ?
C7 N12 Zn1 124.4(3) . 6 ?
C9 N13 N14 105.1(4) . . ?
N15 N14 N13 109.6(4) . . ?
N14 N15 N16 109.1(4) . . ?
N15 N16 Zn2 116.3(3) . . ?
C9 N16 Zn2 138.1(3) . . ?
C9 N16 N15 105.1(4) . . ?
N18 N17 Zn2 120.2(3) . . ?
C10 N17 Zn2 134.0(3) . . ?
C10 N17 N18 105.6(3) . . ?
N19 N18 N17 109.2(3) . . ?
N18 N19 N20 108.8(3) . . ?
N19 N20 Zn3 137.3(3) . . ?
C10 N20 Zn3 116.2(3) . . ?
C10 N20 N19 106.5(3) . . ?
N1 C1 H1 123.0 . . ?
N2 C1 N1 114.0(4) . . ?
N2 C1 H1 123.0 . . ?
N1 C2 C4 119.0(4) . . ?
C3 C2 N1 108.4(4) . . ?
C3 C2 C4 132.6(4) . . ?
N2 C3 C5 114.6(4) . . ?
C2 C3 N2 108.9(4) . . ?
C2 C3 C5 136.1(4) . . ?
N3 C4 N6 112.0(4) . . ?
N3 C4 C2 120.5(4) . . ?
N6 C4 C2 127.4(4) . . ?
N7 C5 C3 131.4(4) . . ?
N10 C5 N7 110.5(4) . . ?
N10 C5 C3 118.0(4) . . ?
N11 C6 N12 113.8(4) . . ?
N11 C6 H6 123.1 . . ?
N12 C6 H6 123.1 . . ?
N12 C7 C9 119.7(4) . . ?
C8 C7 N12 107.1(4) . . ?
C8 C7 C9 133.0(4) . . ?
N11 C8 C10 114.6(4) . . ?
C7 C8 N11 109.6(4) . . ?
C7 C8 C10 135.1(4) . . ?
N13 C9 C7 121.4(4) . . ?
N16 C9 N13 111.0(4) . . ?
N16 C9 C7 127.5(4) . . ?
N17 C10 C8 132.3(4) . . ?
N20 C10 N17 109.8(4) . . ?
N20 C10 C8 117.8(4) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O2 H2A N8 0.875(19) 2.22(3) 2.971(5) 143(4) 5 yes

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
Zn1 N6 C4 N3 -168.4(4) . . . . ?
Zn1 N6 C4 C2 10.0(9) . . . . ?
Zn1 N7 N8 N9 -174.1(3) . . . . ?
Zn1 N7 C5 N10 172.6(3) . . . . ?
Zn1 N7 C5 C3 -3.7(8) . . . . ?
Zn1 N12 C6 N11 161.4(3) 6 . . . ?
Zn1 N12 C7 C8 -162.1(3) 6 . . . ?
Zn1 N12 C7 C9 13.5(6) 6 . . . ?
Zn2 N1 C1 N2 157.1(3) 6_566 . . . ?
Zn2 N1 C2 C3 -159.6(3) 6_566 . . . ?
Zn2 N1 C2 C4 18.7(6) 6_566 . . . ?
Zn2 N16 C9 N13 -171.4(4) . . . . ?
Zn2 N16 C9 C7 5.1(9) . . . . ?
Zn2 N17 N18 N19 -176.4(3) . . . . ?
Zn2 N17 C10 N20 175.6(3) . . . . ?
Zn2 N17 C10 C8 -0.8(8) . . . . ?
Zn3 N2 C1 N1 176.8(4) . . . . ?
Zn3 N2 C3 C2 -177.5(3) . . . . ?
Zn3 N2 C3 C5 8.5(5) . . . . ?
Zn3 N10 C5 N7 174.6(3) . . . . ?
Zn3 N10 C5 C3 -8.6(5) . . . . ?
Zn3 N11 C6 N12 -168.9(4) . . . . ?
Zn3 N11 C8 C7 172.0(3) . . . . ?
Zn3 N11 C8 C10 0.0(5) . . . . ?
Zn3 N20 C10 N17 177.5(3) . . . . ?
Zn3 N20 C10 C8 -5.5(6) . . . . ?
N1 C2 C3 N2 -0.6(6) . . . . ?
N1 C2 C3 C5 171.6(5) . . . . ?
N1 C2 C4 N3 1.1(8) . . . . ?
N1 C2 C4 N6 -177.2(5) . . . . ?
N2 C3 C5 N7 176.2(5) . . . . ?
N2 C3 C5 N10 0.1(6) . . . . ?
N3 N4 N5 N6 -0.9(7) . . . . ?
N4 N3 C4 N6 0.3(7) . . . . ?
N4 N3 C4 C2 -178.2(5) . . . . ?
N4 N5 N6 Zn1 171.8(4) . . . . ?
N4 N5 N6 C4 1.1(6) . . . . ?
N5 N6 C4 N3 -0.8(6) . . . . ?
N5 N6 C4 C2 177.6(5) . . . . ?
N7 N8 N9 N10 0.6(5) . . . . ?
N8 N7 C5 N10 0.2(5) . . . . ?
N8 N7 C5 C3 -176.0(5) . . . . ?
N8 N9 N10 Zn3 -172.7(4) . . . . ?
N8 N9 N10 C5 -0.5(5) . . . . ?
N9 N10 C5 N7 0.1(5) . . . . ?
N9 N10 C5 C3 177.0(4) . . . . ?
N11 C8 C10 N17 179.8(5) . . . . ?
N11 C8 C10 N20 3.6(6) . . . . ?
N12 C7 C8 N11 0.4(6) . . . . ?
N12 C7 C8 C10 170.0(5) . . . . ?
N12 C7 C9 N13 -4.5(7) . . . . ?
N12 C7 C9 N16 179.4(5) . . . . ?
N13 N14 N15 N16 -0.2(6) . . . . ?
N14 N13 C9 N16 0.3(6) . . . . ?
N14 N13 C9 C7 -176.4(5) . . . . ?
N14 N15 N16 Zn2 173.6(3) . . . . ?
N14 N15 N16 C9 0.4(6) . . . . ?
N15 N16 C9 N13 -0.5(6) . . . . ?
N15 N16 C9 C7 176.0(5) . . . . ?
N17 N18 N19 N20 0.4(5) . . . . ?
N18 N17 C10 N20 1.2(5) . . . . ?
N18 N17 C10 C8 -175.3(5) . . . . ?
N18 N19 N20 Zn3 -177.6(3) . . . . ?
N18 N19 N20 C10 0.3(5) . . . . ?
N19 N20 C10 N17 -0.9(5) . . . . ?
N19 N20 C10 C8 176.1(4) . . . . ?
C1 N1 C2 C3 0.5(5) . . . . ?
C1 N1 C2 C4 178.7(4) . . . . ?
C1 N2 C3 C2 0.4(5) . . . . ?
C1 N2 C3 C5 -173.6(4) . . . . ?
C2 N1 C1 N2 -0.2(6) . . . . ?
C2 C3 C5 N7 4.3(10) . . . . ?
C2 C3 C5 N10 -171.7(5) . . . . ?
C3 N2 C1 N1 -0.1(6) . . . . ?
C3 C2 C4 N3 178.9(5) . . . . ?
C3 C2 C4 N6 0.6(10) . . . . ?
C4 N3 N4 N5 0.4(7) . . . . ?
C4 C2 C3 N2 -178.5(5) . . . . ?
C4 C2 C3 C5 -6.3(10) . . . . ?
C5 N7 N8 N9 -0.5(5) . . . . ?
C6 N11 C8 C7 -0.1(5) . . . . ?
C6 N11 C8 C10 -172.0(4) . . . . ?
C6 N12 C7 C8 -0.6(5) . . . . ?
C6 N12 C7 C9 175.0(4) . . . . ?
C7 N12 C6 N11 0.6(6) . . . . ?
C7 C8 C10 N17 10.6(10) . . . . ?
C7 C8 C10 N20 -165.6(5) . . . . ?
C8 N11 C6 N12 -0.3(6) . . . . ?
C8 C7 C9 N13 169.8(5) . . . . ?
C8 C7 C9 N16 -6.3(9) . . . . ?
C9 N13 N14 N15 -0.1(6) . . . . ?
C9 C7 C8 N11 -174.4(5) . . . . ?
C9 C7 C8 C10 -4.8(10) . . . . ?
C10 N17 N18 N19 -1.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
