# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_sq
_database_code_depnum_ccdc_archive 'CCDC 2329633'
loop_
_audit_author_name
_audit_author_address
'Jun Wang'
;Sichuan University of Science and Engineering
China
;
_audit_update_record             
;
2024-01-30 deposited with the CCDC.	2024-07-18 downloaded from the CCDC.
;
_audit_creation_date             2022-05-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H28 N10 O8 Zn2, 2(H2 O)'
_chemical_formula_sum            'C48 H32 N10 O10 Zn2'
_chemical_formula_weight         1039.57
_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                   17.731(6)
_cell_length_b                   17.610(6)
_cell_length_c                   18.563(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.025(6)
_cell_angle_gamma                90
_cell_volume                     5788(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2569
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      22.140
_cell_measurement_theta_min      2.688
_shelx_estimated_absorpt_T_max   0.857
_shelx_estimated_absorpt_T_min   0.802
_exptl_absorpt_coefficient_mu    0.885
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_unetI/netI     0.0842
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16928
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.309
_diffrn_reflns_theta_min         1.631
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.964
_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                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.44
_diffrn_source_voltage           48.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4190
_reflns_number_total             6949
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.60A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_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         0.352
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         6949
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0489
_refine_ls_restrained_S_all      0.987
_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)+(0.0751P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1321
_refine_ls_wR_factor_ref         0.1509
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Riding coordinates:
 O5(H5A,H5B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C14(H14), C15(H15),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Zn01 Zn 0.65202(2) 0.48347(2) 0.50945(2) 0.02816(13) Uani 1 1 d . . . . .
O1 O 0.57540(13) 0.46142(15) 0.43411(12) 0.0402(6) Uani 1 1 d . . . . .
O2 O 0.67039(14) 0.42812(15) 0.36971(13) 0.0470(7) Uani 1 1 d . . . . .
O3 O 0.57013(15) 0.37225(14) 0.07534(12) 0.0447(7) Uani 1 1 d . . . . .
O4 O 0.59543(14) 0.49442(14) 0.09388(12) 0.0389(6) Uani 1 1 d . . . . .
N1 N 0.71295(16) 0.40015(16) 0.55729(14) 0.0325(7) Uani 1 1 d . . . . .
N2 N 0.74717(17) 0.31963(16) 0.64442(15) 0.0379(7) Uani 1 1 d . . . . .
N3 N 0.7641(2) 0.17566(18) 0.78621(17) 0.0574(10) Uani 1 1 d . . . . .
N4 N 0.75333(18) 0.34115(17) 0.90373(15) 0.0426(8) Uani 1 1 d . . . . .
N5 N 0.71862(16) 0.43480(16) 0.97367(14) 0.0357(7) Uani 1 1 d . . . . .
C1 C 0.6025(2) 0.43986(18) 0.37570(17) 0.0301(8) Uani 1 1 d . . . . .
C2 C 0.54805(18) 0.43177(17) 0.31237(15) 0.0256(7) Uani 1 1 d . . . . .
C3 C 0.57653(19) 0.43101(18) 0.24399(17) 0.0301(7) Uani 1 1 d . . . . .
H3 H 0.628595 0.430497 0.239986 0.036 Uiso 1 1 calc R U . . .
C4 C 0.52973(18) 0.43098(17) 0.18125(15) 0.0250(7) Uani 1 1 d . . . . .
C5 C 0.56698(19) 0.4305(2) 0.11049(17) 0.0327(8) Uani 1 1 d . . . . .
C6 C 0.7004(2) 0.3761(2) 0.62231(18) 0.0379(8) Uani 1 1 d . . . . .
H6 H 0.663010 0.395871 0.650232 0.045 Uiso 1 1 calc R U . . .
C7 C 0.77372(19) 0.3569(2) 0.53531(17) 0.0335(8) Uani 1 1 d . . . . .
C8 C 0.8105(2) 0.3593(2) 0.4703(2) 0.0456(10) Uani 1 1 d . . . . .
H8 H 0.796127 0.393150 0.433660 0.055 Uiso 1 1 calc R U . . .
C9 C 0.8684(2) 0.3094(3) 0.4637(2) 0.0578(12) Uani 1 1 d . . . . .
H9 H 0.893995 0.308804 0.421217 0.069 Uiso 1 1 calc R U . . .
C10 C 0.8907(2) 0.2586(3) 0.5197(2) 0.0566(12) Uani 1 1 d . . . . .
H10 H 0.931339 0.226217 0.513790 0.068 Uiso 1 1 calc R U . . .
C11 C 0.8540(2) 0.2562(2) 0.5817(2) 0.0462(10) Uani 1 1 d . . . . .
H11 H 0.868128 0.222259 0.618315 0.055 Uiso 1 1 calc R U . . .
C12 C 0.7949(2) 0.3061(2) 0.58834(18) 0.0350(8) Uani 1 1 d . . . . .
C13 C 0.7507(2) 0.2863(2) 0.71319(18) 0.0394(9) Uani 1 1 d . . . . .
C14 C 0.7571(2) 0.2089(2) 0.7203(2) 0.0498(10) Uani 1 1 d . . . . .
H14 H 0.756692 0.178738 0.679147 0.060 Uiso 1 1 calc R U . . .
C15 C 0.7627(3) 0.2197(2) 0.8431(2) 0.0552(11) Uani 1 1 d . . . . .
H15 H 0.767568 0.197101 0.888370 0.066 Uiso 1 1 calc R U . . .
C16 C 0.7545(2) 0.2967(2) 0.83992(19) 0.0437(9) Uani 1 1 d . . . . .
C17 C 0.7491(2) 0.3320(2) 0.77412(18) 0.0421(9) Uani 1 1 d . . . . .
H17 H 0.744606 0.384526 0.770351 0.051 Uiso 1 1 calc R U . . .
C18 C 0.7040(2) 0.3986(2) 0.91375(18) 0.0414(9) Uani 1 1 d . . . . .
H18 H 0.664060 0.410601 0.881250 0.050 Uiso 1 1 calc R U . . .
C19 C 0.8045(2) 0.3412(2) 0.96193(19) 0.0425(9) Uani 1 1 d . . . . .
C20 C 0.8664(3) 0.2952(3) 0.9805(3) 0.0665(13) Uani 1 1 d . . . . .
H20 H 0.881084 0.255405 0.951418 0.080 Uiso 1 1 calc R U . . .
C21 C 0.9050(3) 0.3130(3) 1.0462(3) 0.0833(17) Uani 1 1 d . . . . .
H21 H 0.944705 0.282247 1.063038 0.100 Uiso 1 1 calc R U . . .
C22 C 0.8855(3) 0.3747(3) 1.0861(3) 0.0842(17) Uani 1 1 d . . . . .
H22 H 0.915663 0.387108 1.126891 0.101 Uiso 1 1 calc R U . . .
C23 C 0.8236(2) 0.4191(3) 1.0687(2) 0.0599(12) Uani 1 1 d . . . . .
H23 H 0.809970 0.459351 1.097811 0.072 Uiso 1 1 calc R U . . .
C24 C 0.7826(2) 0.4009(2) 1.00596(19) 0.0393(9) Uani 1 1 d . . . . .
O5 O 0.51020(18) 0.37461(17) -0.07044(15) 0.0673(9) Uani 1 1 d . . . . .
H5A H 0.521531 0.359271 -0.027045 0.101 Uiso 1 1 d R U . . .
H5B H 0.527821 0.418651 -0.071835 0.101 Uiso 1 1 d 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
Zn01 O1 1.937(2) . ?
Zn01 O4 1.945(2) 6_566 ?
Zn01 N1 2.002(3) . ?
Zn01 N5 1.997(3) 6_565 ?
O1 C1 1.267(4) . ?
O2 C1 1.232(4) . ?
O3 C5 1.219(4) . ?
O4 C5 1.278(4) . ?
N1 C6 1.310(4) . ?
N1 C7 1.398(4) . ?
N2 C6 1.345(4) . ?
N2 C12 1.397(4) . ?
N2 C13 1.403(4) . ?
N3 C14 1.356(5) . ?
N3 C15 1.312(5) . ?
N4 C16 1.421(4) . ?
N4 C18 1.356(4) . ?
N4 C19 1.374(4) . ?
N5 C18 1.297(4) . ?
N5 C24 1.390(4) . ?
C1 C2 1.488(4) . ?
C2 C3 1.391(4) . ?
C2 C4 1.391(4) 2_655 ?
C3 H3 0.9300 . ?
C3 C4 1.394(4) . ?
C4 C5 1.501(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.403(5) . ?
C7 C12 1.367(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.362(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.411(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.352(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.378(5) . ?
C13 C14 1.373(5) . ?
C13 C17 1.390(5) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.365(5) . ?
C16 C17 1.369(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.392(5) . ?
C19 C24 1.400(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.401(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.370(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.372(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.378(5) . ?
O5 H5A 0.8631 . ?
O5 H5B 0.8370 . ?

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 Zn01 O4 104.48(11) . 6_566 ?
O1 Zn01 N1 120.99(11) . . ?
O1 Zn01 N5 107.99(11) . 6_565 ?
O4 Zn01 N1 94.50(11) 6_566 . ?
O4 Zn01 N5 117.58(11) 6_566 6_565 ?
N5 Zn01 N1 111.16(12) 6_565 . ?
C1 O1 Zn01 113.2(2) . . ?
C5 O4 Zn01 126.7(2) . 6_565 ?
C6 N1 Zn01 122.1(2) . . ?
C6 N1 C7 105.3(3) . . ?
C7 N1 Zn01 132.6(2) . . ?
C6 N2 C12 106.7(3) . . ?
C6 N2 C13 125.7(3) . . ?
C12 N2 C13 127.4(3) . . ?
C15 N3 C14 117.8(3) . . ?
C18 N4 C16 124.2(3) . . ?
C18 N4 C19 107.2(3) . . ?
C19 N4 C16 128.1(3) . . ?
C18 N5 Zn01 123.0(2) . 6_566 ?
C18 N5 C24 106.3(3) . . ?
C24 N5 Zn01 130.5(2) . 6_566 ?
O1 C1 C2 116.4(3) . . ?
O2 C1 O1 123.0(3) . . ?
O2 C1 C2 120.6(3) . . ?
C3 C2 C1 118.0(3) . . ?
C4 C2 C1 122.6(3) 2_655 . ?
C4 C2 C3 119.2(3) 2_655 . ?
C2 C3 H3 118.9 . . ?
C2 C3 C4 122.3(3) . . ?
C4 C3 H3 118.9 . . ?
C2 C4 C3 118.6(3) 2_655 . ?
C2 C4 C5 124.0(3) 2_655 . ?
C3 C4 C5 117.5(3) . . ?
O3 C5 O4 125.6(3) . . ?
O3 C5 C4 120.5(3) . . ?
O4 C5 C4 113.8(3) . . ?
N1 C6 N2 112.8(3) . . ?
N1 C6 H6 123.6 . . ?
N2 C6 H6 123.6 . . ?
N1 C7 C8 129.4(3) . . ?
C12 C7 N1 109.5(3) . . ?
C12 C7 C8 121.1(3) . . ?
C7 C8 H8 121.8 . . ?
C9 C8 C7 116.4(4) . . ?
C9 C8 H8 121.8 . . ?
C8 C9 H9 119.2 . . ?
C8 C9 C10 121.7(4) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(4) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 121.3 . . ?
C10 C11 C12 117.3(4) . . ?
C12 C11 H11 121.3 . . ?
C7 C12 N2 105.7(3) . . ?
C7 C12 C11 122.2(3) . . ?
C11 C12 N2 132.0(3) . . ?
C14 C13 N2 120.1(3) . . ?
C14 C13 C17 120.1(3) . . ?
C17 C13 N2 119.7(3) . . ?
N3 C14 C13 121.2(3) . . ?
N3 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
N3 C15 H15 118.0 . . ?
N3 C15 C16 124.0(4) . . ?
C16 C15 H15 118.0 . . ?
C15 C16 N4 121.1(3) . . ?
C15 C16 C17 119.5(3) . . ?
C17 C16 N4 119.4(3) . . ?
C13 C17 H17 121.3 . . ?
C16 C17 C13 117.3(3) . . ?
C16 C17 H17 121.3 . . ?
N4 C18 H18 123.7 . . ?
N5 C18 N4 112.5(3) . . ?
N5 C18 H18 123.7 . . ?
N4 C19 C20 132.4(4) . . ?
N4 C19 C24 105.5(3) . . ?
C20 C19 C24 122.1(4) . . ?
C19 C20 H20 122.4 . . ?
C19 C20 C21 115.3(4) . . ?
C21 C20 H20 122.4 . . ?
C20 C21 H21 119.2 . . ?
C22 C21 C20 121.5(4) . . ?
C22 C21 H21 119.2 . . ?
C21 C22 H22 118.4 . . ?
C21 C22 C23 123.1(4) . . ?
C23 C22 H22 118.4 . . ?
C22 C23 H23 121.8 . . ?
C22 C23 C24 116.4(4) . . ?
C24 C23 H23 121.8 . . ?
N5 C24 C19 108.4(3) . . ?
C23 C24 N5 130.3(4) . . ?
C23 C24 C19 121.2(3) . . ?
H5A O5 H5B 104.5 . . ?

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
Zn01 O1 C1 O2 5.7(4) . . . . ?
Zn01 O1 C1 C2 -172.1(2) . . . . ?
Zn01 O4 C5 O3 -0.7(5) 6_565 . . . ?
Zn01 O4 C5 C4 177.2(2) 6_565 . . . ?
Zn01 N1 C6 N2 179.7(2) . . . . ?
Zn01 N1 C7 C8 -0.6(6) . . . . ?
Zn01 N1 C7 C12 -179.5(2) . . . . ?
Zn01 N5 C18 N4 -174.5(2) 6_566 . . . ?
Zn01 N5 C24 C19 174.1(3) 6_566 . . . ?
Zn01 N5 C24 C23 -7.7(6) 6_566 . . . ?
O1 C1 C2 C3 160.9(3) . . . . ?
O1 C1 C2 C4 -13.9(5) . . . 2_655 ?
O2 C1 C2 C3 -17.0(5) . . . . ?
O2 C1 C2 C4 168.2(3) . . . 2_655 ?
N1 C7 C8 C9 -179.6(4) . . . . ?
N1 C7 C12 N2 -1.2(4) . . . . ?
N1 C7 C12 C11 -179.5(3) . . . . ?
N2 C13 C14 N3 176.9(4) . . . . ?
N2 C13 C17 C16 -178.5(4) . . . . ?
N3 C15 C16 N4 179.9(4) . . . . ?
N3 C15 C16 C17 -1.6(7) . . . . ?
N4 C16 C17 C13 179.9(4) . . . . ?
N4 C19 C20 C21 -179.2(5) . . . . ?
N4 C19 C24 N5 0.6(4) . . . . ?
N4 C19 C24 C23 -177.8(4) . . . . ?
C1 C2 C3 C4 -173.7(3) . . . . ?
C2 C3 C4 C2 0.0(4) . . . 2_655 ?
C2 C3 C4 C5 179.7(3) . . . . ?
C2 C4 C5 O3 -77.4(4) 2_655 . . . ?
C2 C4 C5 O4 104.7(4) 2_655 . . . ?
C3 C4 C5 O3 102.9(4) . . . . ?
C3 C4 C5 O4 -75.0(4) . . . . ?
C4 C2 C3 C4 1.3(4) 2_655 . . . ?
C6 N1 C7 C8 -179.8(4) . . . . ?
C6 N1 C7 C12 1.3(4) . . . . ?
C6 N2 C12 C7 0.6(4) . . . . ?
C6 N2 C12 C11 178.7(4) . . . . ?
C6 N2 C13 C14 137.3(4) . . . . ?
C6 N2 C13 C17 -43.9(6) . . . . ?
C7 N1 C6 N2 -1.0(4) . . . . ?
C7 C8 C9 C10 -0.7(6) . . . . ?
C8 C7 C12 N2 179.8(3) . . . . ?
C8 C7 C12 C11 1.5(6) . . . . ?
C8 C9 C10 C11 1.6(7) . . . . ?
C9 C10 C11 C12 -1.0(6) . . . . ?
C10 C11 C12 N2 -178.4(4) . . . . ?
C10 C11 C12 C7 -0.5(6) . . . . ?
C12 N2 C6 N1 0.3(4) . . . . ?
C12 N2 C13 C14 -48.8(6) . . . . ?
C12 N2 C13 C17 130.0(4) . . . . ?
C12 C7 C8 C9 -0.8(5) . . . . ?
C13 N2 C6 N1 175.2(3) . . . . ?
C13 N2 C12 C7 -174.2(3) . . . . ?
C13 N2 C12 C11 3.9(6) . . . . ?
C14 N3 C15 C16 0.1(7) . . . . ?
C14 C13 C17 C16 0.2(6) . . . . ?
C15 N3 C14 C13 1.6(7) . . . . ?
C15 C16 C17 C13 1.4(6) . . . . ?
C16 N4 C18 N5 -174.1(3) . . . . ?
C16 N4 C19 C20 -7.6(7) . . . . ?
C16 N4 C19 C24 173.1(4) . . . . ?
C17 C13 C14 N3 -1.8(6) . . . . ?
C18 N4 C16 C15 -136.3(4) . . . . ?
C18 N4 C16 C17 45.2(6) . . . . ?
C18 N4 C19 C20 179.3(5) . . . . ?
C18 N4 C19 C24 0.0(4) . . . . ?
C18 N5 C24 C19 -1.0(4) . . . . ?
C18 N5 C24 C23 177.2(4) . . . . ?
C19 N4 C16 C15 51.7(6) . . . . ?
C19 N4 C16 C17 -126.8(4) . . . . ?
C19 N4 C18 N5 -0.7(5) . . . . ?
C19 C20 C21 C22 -4.2(8) . . . . ?
C20 C19 C24 N5 -178.8(4) . . . . ?
C20 C19 C24 C23 2.8(6) . . . . ?
C20 C21 C22 C23 6.1(10) . . . . ?
C21 C22 C23 C24 -3.1(8) . . . . ?
C22 C23 C24 N5 -179.3(4) . . . . ?
C22 C23 C24 C19 -1.3(7) . . . . ?
C24 N5 C18 N4 1.1(4) . . . . ?
C24 C19 C20 C21 0.0(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
