# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 
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data_cu_0417_13_0m
_database_code_depnum_ccdc_archive 'CCDC 2351104'
loop_
_audit_author_name
_audit_author_address
'Shengrun Zheng'
;South China Normal University
China
;
_audit_update_record             
;
2024-04-25 deposited with the CCDC.	2024-06-12 downloaded from the CCDC.
;
_audit_creation_date             2024-03-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H8 N10 Zn, C3 H7 N O'
_chemical_formula_sum            'C18 H15 N11 O Zn'
_chemical_formula_weight         466.78
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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                   9.5220(2)
_cell_length_b                   19.4852(5)
_cell_length_c                   10.4691(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.7040(10)
_cell_angle_gamma                90
_cell_volume                     1887.12(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5404
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      74.66
_cell_measurement_theta_min      4.54
_shelx_estimated_absorpt_T_max   0.814
_shelx_estimated_absorpt_T_min   0.673
_exptl_absorpt_coefficient_mu    2.146
_exptl_absorpt_correction_T_max  0.0872
_exptl_absorpt_correction_T_min  0.0102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0906 before and 0.0532 after correction.
The Ratio of minimum to maximum transmission is 0.1170.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15665
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.916
_diffrn_reflns_theta_min         4.538
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           0.95
_diffrn_source_power             0.0475
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3415
_reflns_number_total             3865
_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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.394
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0723
_refine_ls_restrained_S_all      1.104
_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)+(0.1446P)²+0.2116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1866
_refine_ls_wR_factor_ref         0.1926
_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:
 C1(H1), C11(H11), C9(H9), C13(H13), C3(H3), C4(H4), C6(H6), C5(H5), C16(H16)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 -0.14989(4) 0.31426(2) 0.75029(4) 0.0455(2) Uani 1 1 d . . . . .
N3 N 0.7590(3) 0.27901(13) 0.5688(2) 0.0456(5) Uani 1 1 d . . . . .
N1 N 0.0608(3) 0.31949(13) 0.7633(3) 0.0480(6) Uani 1 1 d . . . . .
N5 N 0.7759(3) 0.23740(12) 0.3850(2) 0.0465(5) Uani 1 1 d . . . . .
N2 N 0.2571(3) 0.34926(13) 0.6960(2) 0.0467(5) Uani 1 1 d . . . . .
N6 N 0.6552(3) 0.27633(13) 0.3569(2) 0.0470(5) Uani 1 1 d . . . . .
N4 N 0.8384(3) 0.23840(13) 0.5099(2) 0.0481(5) Uani 1 1 d . . . . .
N9 N 0.2221(3) 0.58947(13) 0.2533(3) 0.0488(5) Uani 1 1 d . . . . .
N10 N 0.2262(3) 0.54594(13) 0.3535(3) 0.0484(5) Uani 1 1 d . . . . .
N7 N 0.3651(3) 0.50883(14) 0.2242(3) 0.0551(6) Uani 1 1 d . . . . .
N8 N 0.3035(3) 0.56757(14) 0.1759(3) 0.0545(6) Uani 1 1 d . . . . .
C10 C 0.5278(3) 0.34484(14) 0.4930(3) 0.0448(6) Uani 1 1 d . . . . .
C14 C 0.6470(3) 0.30103(15) 0.4730(3) 0.0452(6) Uani 1 1 d . . . . .
C2 C 0.1779(4) 0.32177(15) 0.8724(3) 0.0481(6) Uani 1 1 d . . . . .
C1 C 0.1129(3) 0.33721(16) 0.6612(3) 0.0489(6) Uani 1 1 d . . . . .
H1 H 0.055722 0.341019 0.573829 0.059 Uiso 1 1 calc R U . . .
C11 C 0.4778(3) 0.39802(15) 0.4056(3) 0.0458(6) Uani 1 1 d . . . . .
H11 H 0.523720 0.407214 0.336136 0.055 Uiso 1 1 calc R U . . .
C12 C 0.3604(3) 0.43804(15) 0.4191(3) 0.0460(6) Uani 1 1 d . . . . .
C9 C 0.4607(3) 0.33064(16) 0.5955(3) 0.0464(6) Uani 1 1 d . . . . .
H9 H 0.497241 0.295954 0.658358 0.056 Uiso 1 1 calc R U . . .
C13 C 0.2900(3) 0.42226(15) 0.5177(3) 0.0472(6) Uani 1 1 d . . . . .
H13 H 0.208353 0.448267 0.526393 0.057 Uiso 1 1 calc R U . . .
C8 C 0.3393(3) 0.36858(15) 0.6029(3) 0.0466(6) Uani 1 1 d . . . . .
C7 C 0.3027(3) 0.34003(15) 0.8308(3) 0.0479(6) Uani 1 1 d . . . . .
C15 C 0.3158(3) 0.49711(15) 0.3317(3) 0.0472(6) Uani 1 1 d . . . . .
C3 C 0.1825(4) 0.31253(15) 1.0054(3) 0.0510(7) Uani 1 1 d . . . . .
H3 H 0.099004 0.299475 1.034341 0.061 Uiso 1 1 calc R U . . .
N11 N -0.1354(4) 0.44001(18) 0.2112(4) 0.0730(9) Uani 1 1 d . . . . .
O1 O -0.0390(4) 0.3656(2) 0.3756(4) 0.1002(12) Uani 1 1 d . . . . .
C4 C 0.3138(4) 0.32322(18) 1.0932(3) 0.0555(7) Uani 1 1 d . . . . .
H4 H 0.320460 0.317891 1.184649 0.067 Uiso 1 1 calc R U . . .
C6 C 0.4358(3) 0.35042(17) 0.9194(3) 0.0518(7) Uani 1 1 d . . . . .
H6 H 0.519899 0.362735 0.890866 0.062 Uiso 1 1 calc R U . . .
C5 C 0.4382(4) 0.34182(18) 1.0505(3) 0.0559(7) Uani 1 1 d . . . . .
H5 H 0.526513 0.348637 1.114104 0.067 Uiso 1 1 calc R U . . .
C16 C -0.1302(6) 0.4111(3) 0.3265(5) 0.0823(12) Uani 1 1 d . . . . .
H16 H -0.198301 0.425138 0.374468 0.099 Uiso 1 1 calc R U . . .
C17 C -0.0279(6) 0.4283(3) 0.1385(5) 0.0893(13) Uani 1 1 d . . . . .
H17A H 0.019946 0.471756 0.127828 0.134 Uiso 1 1 calc R U . . .
H17B H -0.073771 0.409576 0.051819 0.134 Uiso 1 1 calc R U . . .
H17C H 0.043884 0.395601 0.186173 0.134 Uiso 1 1 calc R U . . .
C18 C -0.2507(8) 0.4877(3) 0.1535(6) 0.0973(16) Uani 1 1 d . . . . .
H18A H -0.311455 0.467627 0.073469 0.146 Uiso 1 1 calc R U . . .
H18B H -0.208645 0.530786 0.131611 0.146 Uiso 1 1 calc R U . . .
H18C H -0.309736 0.496906 0.216651 0.146 Uiso 1 1 calc R U . . .


_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 N3 2.014(2) 1_455 ?
Zn1 N1 1.981(3) . ?
Zn1 N5 1.993(2) 4_466 ?
Zn1 N9 1.995(3) 3_566 ?
N3 N4 1.341(3) . ?
N3 C14 1.349(4) . ?
N1 C2 1.396(4) . ?
N1 C1 1.326(4) . ?
N5 N6 1.350(3) . ?
N5 N4 1.303(4) . ?
N2 C1 1.356(4) . ?
N2 C8 1.437(4) . ?
N2 C7 1.386(4) . ?
N6 C14 1.327(4) . ?
N9 N10 1.342(4) . ?
N9 N8 1.319(4) . ?
N10 C15 1.333(4) . ?
N7 N8 1.330(4) . ?
N7 C15 1.338(4) . ?
C10 C14 1.474(4) . ?
C10 C11 1.390(4) . ?
C10 C9 1.400(4) . ?
C2 C7 1.404(4) . ?
C2 C3 1.394(5) . ?
C1 H1 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.397(4) . ?
C12 C13 1.392(4) . ?
C12 C15 1.469(4) . ?
C9 H9 0.9500 . ?
C9 C8 1.390(4) . ?
C13 H13 0.9500 . ?
C13 C8 1.383(4) . ?
C7 C6 1.396(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.381(5) . ?
N11 C16 1.323(6) . ?
N11 C17 1.431(6) . ?
N11 C18 1.457(7) . ?
O1 C16 1.261(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.409(5) . ?
C6 H6 0.9500 . ?
C6 C5 1.377(5) . ?
C5 H5 0.9500 . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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
N1 Zn1 N3 106.57(11) . 1_455 ?
N1 Zn1 N5 120.04(11) . 4_466 ?
N1 Zn1 N9 106.97(10) . 3_566 ?
N5 Zn1 N3 110.46(10) 4_466 1_455 ?
N5 Zn1 N9 108.05(10) 4_466 3_566 ?
N9 Zn1 N3 103.49(10) 3_566 1_455 ?
N4 N3 Zn1 118.09(19) . 1_655 ?
N4 N3 C14 106.2(2) . . ?
C14 N3 Zn1 132.9(2) . 1_655 ?
C2 N1 Zn1 131.1(2) . . ?
C1 N1 Zn1 121.6(2) . . ?
C1 N1 C2 105.9(3) . . ?
N6 N5 Zn1 123.78(19) . 4_665 ?
N4 N5 Zn1 124.29(19) . 4_665 ?
N4 N5 N6 111.9(2) . . ?
C1 N2 C8 122.9(3) . . ?
C1 N2 C7 107.7(2) . . ?
C7 N2 C8 129.4(3) . . ?
C14 N6 N5 103.6(2) . . ?
N5 N4 N3 107.2(2) . . ?
N10 N9 Zn1 123.72(19) . 3_566 ?
N8 N9 Zn1 122.9(2) . 3_566 ?
N8 N9 N10 111.3(2) . . ?
C15 N10 N9 102.7(2) . . ?
N8 N7 C15 104.8(3) . . ?
N9 N8 N7 108.3(2) . . ?
C11 C10 C14 119.6(3) . . ?
C11 C10 C9 120.3(3) . . ?
C9 C10 C14 120.1(3) . . ?
N3 C14 C10 125.3(3) . . ?
N6 C14 N3 111.0(3) . . ?
N6 C14 C10 123.7(3) . . ?
N1 C2 C7 108.9(3) . . ?
C3 C2 N1 130.0(3) . . ?
C3 C2 C7 120.9(3) . . ?
N1 C1 N2 112.1(3) . . ?
N1 C1 H1 123.9 . . ?
N2 C1 H1 123.9 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.5(3) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C15 119.7(3) . . ?
C13 C12 C11 119.3(3) . . ?
C13 C12 C15 121.0(3) . . ?
C10 C9 H9 120.8 . . ?
C8 C9 C10 118.3(3) . . ?
C8 C9 H9 120.8 . . ?
C12 C13 H13 120.1 . . ?
C8 C13 C12 119.7(3) . . ?
C8 C13 H13 120.1 . . ?
C9 C8 N2 119.5(3) . . ?
C13 C8 N2 118.7(3) . . ?
C13 C8 C9 121.7(3) . . ?
N2 C7 C2 105.4(3) . . ?
N2 C7 C6 132.3(3) . . ?
C6 C7 C2 122.1(3) . . ?
N10 C15 N7 112.8(3) . . ?
N10 C15 C12 123.7(3) . . ?
N7 C15 C12 123.4(3) . . ?
C2 C3 H3 121.5 . . ?
C4 C3 C2 117.0(3) . . ?
C4 C3 H3 121.5 . . ?
C16 N11 C17 122.7(4) . . ?
C16 N11 C18 120.8(5) . . ?
C17 N11 C18 116.5(4) . . ?
C3 C4 H4 119.2 . . ?
C3 C4 C5 121.6(3) . . ?
C5 C4 H4 119.2 . . ?
C7 C6 H6 121.9 . . ?
C5 C6 C7 116.3(3) . . ?
C5 C6 H6 121.9 . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 122.0(3) . . ?
C6 C5 H5 119.0 . . ?
N11 C16 H16 118.5 . . ?
O1 C16 N11 123.0(5) . . ?
O1 C16 H16 118.5 . . ?
N11 C17 H17A 109.5 . . ?
N11 C17 H17B 109.5 . . ?
N11 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N11 C18 H18A 109.5 . . ?
N11 C18 H18B 109.5 . . ?
N11 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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 N3 N4 N5 -162.92(18) 1_655 . . . ?
Zn1 N3 C14 N6 159.1(2) 1_655 . . . ?
Zn1 N3 C14 C10 -22.7(4) 1_655 . . . ?
Zn1 N1 C2 C7 -167.4(2) . . . . ?
Zn1 N1 C2 C3 9.0(5) . . . . ?
Zn1 N1 C1 N2 169.3(2) . . . . ?
Zn1 N5 N6 C14 -179.6(2) 4_665 . . . ?
Zn1 N5 N4 N3 179.13(18) 4_665 . . . ?
Zn1 N9 N10 C15 -163.5(2) 3_566 . . . ?
Zn1 N9 N8 N7 163.5(2) 3_566 . . . ?
N1 C2 C7 N2 0.7(3) . . . . ?
N1 C2 C7 C6 176.1(3) . . . . ?
N1 C2 C3 C4 -175.0(3) . . . . ?
N5 N6 C14 N3 0.8(3) . . . . ?
N5 N6 C14 C10 -177.4(3) . . . . ?
N2 C7 C6 C5 174.0(3) . . . . ?
N6 N5 N4 N3 -0.1(3) . . . . ?
N4 N3 C14 N6 -0.8(3) . . . . ?
N4 N3 C14 C10 177.3(3) . . . . ?
N4 N5 N6 C14 -0.4(3) . . . . ?
N9 N10 C15 N7 -0.1(4) . . . . ?
N9 N10 C15 C12 177.5(3) . . . . ?
N10 N9 N8 N7 -0.6(4) . . . . ?
N8 N9 N10 C15 0.5(3) . . . . ?
N8 N7 C15 N10 -0.2(4) . . . . ?
N8 N7 C15 C12 -177.9(3) . . . . ?
C10 C11 C12 C13 -2.8(4) . . . . ?
C10 C11 C12 C15 175.6(3) . . . . ?
C10 C9 C8 N2 171.8(3) . . . . ?
C10 C9 C8 C13 -4.3(4) . . . . ?
C14 N3 N4 N5 0.6(3) . . . . ?
C14 C10 C11 C12 176.9(3) . . . . ?
C14 C10 C9 C8 -173.4(3) . . . . ?
C2 N1 C1 N2 1.5(3) . . . . ?
C2 C7 C6 C5 0.0(5) . . . . ?
C2 C3 C4 C5 -0.7(5) . . . . ?
C1 N1 C2 C7 -1.4(3) . . . . ?
C1 N1 C2 C3 175.0(3) . . . . ?
C1 N2 C8 C9 -125.9(3) . . . . ?
C1 N2 C8 C13 50.3(4) . . . . ?
C1 N2 C7 C2 0.2(3) . . . . ?
C1 N2 C7 C6 -174.5(3) . . . . ?
C11 C10 C14 N3 138.1(3) . . . . ?
C11 C10 C14 N6 -43.9(4) . . . . ?
C11 C10 C9 C8 3.3(4) . . . . ?
C11 C12 C13 C8 1.8(4) . . . . ?
C11 C12 C15 N10 -165.8(3) . . . . ?
C11 C12 C15 N7 11.7(5) . . . . ?
C12 C13 C8 N2 -174.4(3) . . . . ?
C12 C13 C8 C9 1.8(5) . . . . ?
C9 C10 C14 N3 -45.2(4) . . . . ?
C9 C10 C14 N6 132.8(3) . . . . ?
C9 C10 C11 C12 0.2(4) . . . . ?
C13 C12 C15 N10 12.6(5) . . . . ?
C13 C12 C15 N7 -170.0(3) . . . . ?
C8 N2 C1 N1 179.4(3) . . . . ?
C8 N2 C7 C2 179.7(3) . . . . ?
C8 N2 C7 C6 4.9(5) . . . . ?
C7 N2 C1 N1 -1.1(3) . . . . ?
C7 N2 C8 C9 54.7(4) . . . . ?
C7 N2 C8 C13 -129.0(3) . . . . ?
C7 C2 C3 C4 1.0(5) . . . . ?
C7 C6 C5 C4 0.3(5) . . . . ?
C15 N7 N8 N9 0.5(4) . . . . ?
C15 C12 C13 C8 -176.6(3) . . . . ?
C3 C2 C7 N2 -176.1(3) . . . . ?
C3 C2 C7 C6 -0.7(5) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
C17 N11 C16 O1 -7.4(7) . . . . ?
C18 N11 C16 O1 174.5(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
