# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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. 
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data_mo_uc220322_150k_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2209865'
loop_
_audit_author_name
_audit_author_address
'Ignas Pakamore'
;University of Glasgow
United Kingdom
;
_audit_update_record             
;
2022-09-27 deposited with the CCDC.	2022-12-05 downloaded from the CCDC.
;
_audit_creation_date             2022-03-29
_audit_creation_method           
;
Olex2 1.2
(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         'C13 H12 N9 Zn2'
_chemical_formula_sum            'C13 H12 N9 Zn2'
_chemical_formula_weight         425.06
_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'
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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   15.1336(5)
_cell_length_b                   15.4532(5)
_cell_length_c                   18.4151(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4306.6(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.692
_shelx_estimated_absorpt_T_max   0.534
_shelx_estimated_absorpt_T_min   0.337
_exptl_absorpt_coefficient_mu    2.239
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1153 before and 0.0621 after correction. The Ratio of minimum to maximum transmission is 0.6566. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Squere
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.32
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.957
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36647
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.317
_diffrn_reflns_theta_min         2.692
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4155
_reflns_number_total             5181
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5181
_refine_ls_number_restraints     142
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0374
_refine_ls_restrained_S_all      1.014
_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)+(0.0363P)²+5.7793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0990
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C11-C12
 1.4 with sigma of 0.02
 C13A-C11
 1.434 with sigma of 0.02
 N9A-C13A
 1.407 with sigma of 0.02
 N10A-C12
 1.4 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C2 \\sim C3 \\sim N3 \\sim C1 \\sim N4: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.04
N4 \\sim C1 \\sim N3 \\sim C3A \\sim C2A: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.04
N10 \\sim C13 \\sim N9 \\sim C14 \\sim C12 \\sim C11 \\sim N7 \\sim N8 \\sim
C10: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04
C14A \\sim N9A \\sim C13A \\sim C11 \\sim C12 \\sim N10A: within 1.7A with
sigma of 0.02 and sigma for terminal atoms of 0.04
4. Others
 Fixed Sof: H12(0.5) H11(0.5) C3A(0.5) H3A(0.5) C2A(0.5) H2A(0.5) N9(0.375)
 N10(0.375) C14(0.375) H14(0.375) C13(0.375) H13(0.375) C2(0.5) H2(0.5) C3(0.5)
 H3(0.5) N10A(0.125) C14A(0.125) H14A(0.125) N9A(0.125) C13A(0.125) H13A(0.125)
5.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C10(H10), C9(H9), C12(H12), C1(H1), C11(H11), C8(H8), C6(H6), C5(H5),
 C7(H7), C3A(H3A), C2A(H2A), C14(H14), C13(H13), C2(H2), C3(H3), C14A(H14A),
 C13A(H13A)
;
_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 0.29194(2) 0.36522(2) 0.40160(2) 0.03198(10) Uani 1 1 d . . . . .
Zn2 Zn 0.48003(2) 0.34009(2) 0.68350(2) 0.03222(10) Uani 1 1 d . . . . .
N5 N 0.57059(15) 0.43238(14) 0.69188(11) 0.0337(5) Uani 1 1 d . . . . .
N2 N 0.42398(15) 0.18457(15) 0.27820(11) 0.0360(5) Uani 1 1 d . . . . .
N1 N 0.35501(14) 0.26208(14) 0.36275(11) 0.0327(4) Uani 1 1 d . . . . .
N7 N 0.16480(14) 0.34075(14) 0.38491(12) 0.0340(5) Uani 1 1 d . U . . .
N6 N 0.66302(15) 0.53615(14) 0.65645(12) 0.0357(5) Uani 1 1 d . . . . .
N8 N 0.04533(14) 0.26373(14) 0.35310(11) 0.0336(5) Uani 1 1 d . U . . .
N3 N 0.31872(15) 0.38333(15) 0.50528(12) 0.0378(5) Uani 1 1 d . U . . .
N4 N 0.39057(15) 0.37299(16) 0.61054(12) 0.0380(5) Uani 1 1 d . U . . .
C4 C 0.59904(18) 0.48263(18) 0.63814(14) 0.0362(6) Uani 1 1 d . . . . .
H4 H 0.5757 0.4802 0.5915 0.043 Uiso 1 1 calc R . . . .
C10 C 0.13306(16) 0.26774(16) 0.35685(13) 0.0331(5) Uani 1 1 d . U . . .
H10 H 0.1694 0.2230 0.3411 0.040 Uiso 1 1 calc R . . . .
C9 C 0.39489(18) 0.26108(18) 0.29872(14) 0.0366(6) Uani 1 1 d . . . . .
H9 H 0.4018 0.3105 0.2705 0.044 Uiso 1 1 calc R . . . .
C12 C 0.01764(19) 0.34057(19) 0.38325(17) 0.0416(6) Uani 1 1 d D U . . .
H12 H -0.0408 0.3578 0.3892 0.050 Uiso 0.5 1 calc R . P A 1
C1 C 0.38647(16) 0.35026(18) 0.54176(13) 0.0353(6) Uani 1 1 d . U . . .
H1 H 0.4278 0.3138 0.5203 0.042 Uiso 1 1 calc R . . . .
C11 C 0.0907(2) 0.38742(19) 0.40306(17) 0.0446(7) Uani 1 1 d D U . . .
H11 H 0.0901 0.4416 0.4251 0.053 Uiso 0.5 1 calc R . P B 1
C8 C 0.3972(3) 0.1298(2) 0.33150(19) 0.0649(11) Uani 1 1 d . . . . .
H8 H 0.4057 0.0702 0.3323 0.078 Uiso 1 1 calc R . . . .
C6 C 0.6193(3) 0.4571(2) 0.75035(17) 0.0559(9) Uani 1 1 d . . . . .
H6 H 0.6147 0.4344 0.7970 0.067 Uiso 1 1 calc R . . . .
C5 C 0.6756(2) 0.5201(2) 0.72929(18) 0.0596(10) Uani 1 1 d . . . . .
H5 H 0.7161 0.5481 0.7591 0.072 Uiso 1 1 calc R . . . .
C7 C 0.3558(3) 0.1771(2) 0.38340(18) 0.0649(11) Uani 1 1 d . . . . .
H7 H 0.3319 0.1553 0.4262 0.078 Uiso 1 1 calc R . . . .
C3A C 0.2832(11) 0.4437(7) 0.5503(8) 0.053(3) Uani 0.5 1 d . U P C 2
H3A H 0.2371 0.4814 0.5398 0.064 Uiso 0.5 1 calc R . P C 2
C2A C 0.3285(8) 0.4379(7) 0.6137(6) 0.053(3) Uani 0.5 1 d . U P C 2
H2A H 0.3188 0.4730 0.6539 0.064 Uiso 0.5 1 calc R . P C 2
N9 N 0.0966(5) 0.4606(5) 0.4446(4) 0.0387(16) Uani 0.375 1 d . U P D -1
N10 N -0.0626(6) 0.4526(7) 0.4414(6) 0.048(2) Uani 0.375 1 d . U P D -1
C14 C -0.0614(5) 0.3782(7) 0.4053(5) 0.0416(19) Uani 0.375 1 d . U P D -1
H14 H -0.1145 0.3508 0.3945 0.050 Uiso 0.375 1 calc R . P D -1
C13 C 0.0150(7) 0.4894(6) 0.4598(5) 0.0429(18) Uani 0.375 1 d . U P D -1
H13 H 0.0116 0.5408 0.4860 0.051 Uiso 0.375 1 calc R . P D -1
C2 C 0.3082(9) 0.4059(9) 0.6252(8) 0.072(4) Uani 0.5 1 d . U P C 1
H2 H 0.2857 0.4202 0.6707 0.086 Uiso 0.5 1 calc R . P C 1
C3 C 0.2663(11) 0.4132(9) 0.5610(9) 0.072(4) Uani 0.5 1 d . U P C 1
H3 H 0.2097 0.4355 0.5551 0.086 Uiso 0.5 1 calc R . P C 1
N10A N -0.0761(12) 0.3410(18) 0.3891(16) 0.060(6) Uani 0.125 1 d D U P D -2
C14A C -0.088(3) 0.421(3) 0.418(2) 0.066(7) Uani 0.125 1 d . U P D -2
H14A H -0.1457 0.4415 0.4143 0.079 Uiso 0.125 1 calc R . P D -2
N9A N -0.034(2) 0.477(2) 0.451(2) 0.066(8) Uani 0.125 1 d D U P D -2
C13A C 0.056(2) 0.4580(18) 0.4457(19) 0.053(6) Uani 0.125 1 d D U P D -2
H13A H 0.0964 0.4926 0.4708 0.063 Uiso 0.125 1 calc R . P D -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
Zn1 N1 1.991(2) . ?
Zn1 N7 1.985(2) . ?
Zn1 N6 1.982(2) 5_666 ?
Zn1 N3 1.972(2) . ?
Zn2 N5 1.984(2) . ?
Zn2 N2 1.976(2) 7_566 ?
Zn2 N8 2.001(2) 4_556 ?
Zn2 N4 1.974(2) . ?
N5 C4 1.330(3) . ?
N5 C6 1.360(4) . ?
N2 Zn2 1.976(2) 7_565 ?
N2 C9 1.317(3) . ?
N2 C8 1.358(4) . ?
N1 C9 1.325(3) . ?
N1 C7 1.367(4) . ?
N7 C10 1.331(3) . ?
N7 C11 1.375(4) . ?
N6 Zn1 1.982(2) 5_666 ?
N6 C4 1.317(3) . ?
N6 C5 1.377(4) . ?
N8 Zn2 2.001(2) 4_456 ?
N8 C10 1.331(3) . ?
N8 C12 1.376(3) . ?
N3 C1 1.328(3) . ?
N3 C3A 1.359(14) . ?
N3 C3 1.377(16) . ?
N4 C1 1.316(3) . ?
N4 C2A 1.375(11) . ?
N4 C2 1.374(14) . ?
C4 H4 0.9300 . ?
C10 H10 0.9300 . ?
C9 H9 0.9300 . ?
C12 H12 0.9300 . ?
C12 C11 1.370(4) . ?
C12 C14 1.391(10) . ?
C12 N10A 1.423(17) . ?
C1 H1 0.9300 . ?
C11 H11 0.9300 . ?
C11 N9 1.368(8) . ?
C11 C13A 1.440(18) . ?
C8 H8 0.9300 . ?
C8 C7 1.357(5) . ?
C6 H6 0.9300 . ?
C6 C5 1.350(5) . ?
C5 H5 0.9300 . ?
C7 H7 0.9300 . ?
C3A H3A 0.9300 . ?
C3A C2A 1.357(18) . ?
C2A H2A 0.9300 . ?
N9 C13 1.342(11) . ?
N10 C14 1.328(14) . ?
N10 C13 1.347(13) . ?
C14 H14 0.9300 . ?
C13 H13 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.35(2) . ?
C3 H3 0.9300 . ?
N10A C14A 1.36(4) . ?
C14A H14A 0.9300 . ?
C14A N9A 1.34(5) . ?
N9A C13A 1.399(19) . ?
C13A H13A 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
N7 Zn1 N1 104.87(9) . . ?
N6 Zn1 N1 104.89(9) 5_666 . ?
N6 Zn1 N7 113.35(9) 5_666 . ?
N3 Zn1 N1 111.29(9) . . ?
N3 Zn1 N7 112.10(9) . . ?
N3 Zn1 N6 110.02(10) . 5_666 ?
N5 Zn2 N8 105.16(9) . 4_556 ?
N2 Zn2 N5 111.49(9) 7_566 . ?
N2 Zn2 N8 110.76(9) 7_566 4_556 ?
N4 Zn2 N5 109.98(10) . . ?
N4 Zn2 N2 110.85(9) . 7_566 ?
N4 Zn2 N8 108.42(9) . 4_556 ?
C4 N5 Zn2 125.85(17) . . ?
C4 N5 C6 104.4(2) . . ?
C6 N5 Zn2 129.67(19) . . ?
C9 N2 Zn2 124.73(18) . 7_565 ?
C9 N2 C8 104.6(2) . . ?
C8 N2 Zn2 130.2(2) . 7_565 ?
C9 N1 Zn1 123.21(18) . . ?
C9 N1 C7 103.4(2) . . ?
C7 N1 Zn1 132.32(18) . . ?
C10 N7 Zn1 124.87(18) . . ?
C10 N7 C11 104.1(2) . . ?
C11 N7 Zn1 130.80(19) . . ?
C4 N6 Zn1 126.69(18) . 5_666 ?
C4 N6 C5 103.8(2) . . ?
C5 N6 Zn1 128.02(19) . 5_666 ?
C10 N8 Zn2 123.20(18) . 4_456 ?
C10 N8 C12 104.0(2) . . ?
C12 N8 Zn2 132.63(18) . 4_456 ?
C1 N3 Zn1 126.43(18) . . ?
C1 N3 C3A 105.1(7) . . ?
C1 N3 C3 101.4(7) . . ?
C3A N3 Zn1 127.4(6) . . ?
C3 N3 Zn1 130.6(7) . . ?
C1 N4 Zn2 128.22(19) . . ?
C1 N4 C2A 101.7(5) . . ?
C1 N4 C2 104.2(7) . . ?
C2A N4 Zn2 128.9(5) . . ?
C2 N4 Zn2 125.7(7) . . ?
N5 C4 H4 122.8 . . ?
N6 C4 N5 114.5(2) . . ?
N6 C4 H4 122.8 . . ?
N7 C10 N8 114.8(2) . . ?
N7 C10 H10 122.6 . . ?
N8 C10 H10 122.6 . . ?
N2 C9 N1 114.7(2) . . ?
N2 C9 H9 122.6 . . ?
N1 C9 H9 122.6 . . ?
N8 C12 H12 125.7 . . ?
N8 C12 C14 137.8(5) . . ?
N8 C12 N10A 109.8(11) . . ?
C11 C12 N8 108.5(2) . . ?
C11 C12 H12 125.7 . . ?
C11 C12 C14 113.3(5) . . ?
C11 C12 N10A 141.4(11) . . ?
C14 C12 H12 13.6 . . ?
N3 C1 H1 122.6 . . ?
N4 C1 N3 114.9(2) . . ?
N4 C1 H1 122.6 . . ?
N7 C11 H11 125.8 . . ?
N7 C11 C13A 145.4(16) . . ?
C12 C11 N7 108.4(2) . . ?
C12 C11 H11 125.8 . . ?
C12 C11 C13A 104.8(15) . . ?
N9 C11 N7 121.0(4) . . ?
N9 C11 C12 129.7(4) . . ?
N9 C11 H11 9.3 . . ?
N2 C8 H8 126.0 . . ?
C7 C8 N2 108.1(3) . . ?
C7 C8 H8 126.0 . . ?
N5 C6 H6 125.8 . . ?
C5 C6 N5 108.5(3) . . ?
C5 C6 H6 125.7 . . ?
N6 C5 H5 125.6 . . ?
C6 C5 N6 108.8(3) . . ?
C6 C5 H5 125.6 . . ?
N1 C7 H7 125.5 . . ?
C8 C7 N1 109.0(3) . . ?
C8 C7 H7 125.5 . . ?
N3 C3A H3A 126.9 . . ?
C2A C3A N3 106.3(10) . . ?
C2A C3A H3A 126.9 . . ?
N4 C2A H2A 124.5 . . ?
C3A C2A N4 110.9(9) . . ?
C3A C2A H2A 124.5 . . ?
C13 N9 C11 109.2(6) . . ?
C14 N10 C13 118.6(9) . . ?
C12 C14 H14 119.4 . . ?
N10 C14 C12 121.3(8) . . ?
N10 C14 H14 119.4 . . ?
N9 C13 N10 127.6(9) . . ?
N9 C13 H13 116.2 . . ?
N10 C13 H13 116.2 . . ?
N4 C2 H2 126.7 . . ?
C3 C2 N4 106.6(11) . . ?
C3 C2 H2 126.7 . . ?
N3 C3 H3 124.6 . . ?
C2 C3 N3 110.8(12) . . ?
C2 C3 H3 124.6 . . ?
C14A N10A C12 100(2) . . ?
N10A C14A H14A 113.4 . . ?
N9A C14A N10A 133(4) . . ?
N9A C14A H14A 113.4 . . ?
C14A N9A C13A 115(4) . . ?
C11 C13A H13A 118.2 . . ?
N9A C13A C11 124(3) . . ?
N9A C13A H13A 118.2 . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.127 0.183 0.614 142 31 ' '
2 0.127 0.317 0.114 142 31 ' '
3 0.373 0.683 0.614 143 31 ' '
4 0.373 0.817 0.114 143 31 ' '
5 0.627 0.183 0.886 142 30 ' '
6 0.627 0.317 0.386 142 30 ' '
7 0.873 0.683 0.886 144 31 ' '
8 0.873 0.817 0.386 143 31 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
