# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_0613zxd4_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1979497'
loop_
_audit_author_name
_audit_author_address
'Xiang-Dong Zhu'
;Soochow University
China
;
_audit_update_record             
;
2020-01-23 deposited with the CCDC.	2020-05-20 downloaded from the CCDC.
;
_audit_creation_date             2019-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H18 N4'
_chemical_formula_sum            'C34 H18 N4'
_chemical_formula_weight         482.52
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2430(3)
_cell_length_b                   11.5338(3)
_cell_length_c                   14.2060(4)
_cell_angle_alpha                97.7810(10)
_cell_angle_beta                 99.0940(10)
_cell_angle_gamma                90.9700(10)
_cell_volume                     1480.52(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7820
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.691
_cell_measurement_theta_min      2.462
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.995
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0955 before and 0.0409 after correction. The Ratio of minimum to maximum transmission is 0.9136. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.082
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17215
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.694
_diffrn_reflns_theta_min         2.462
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_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                4285
_reflns_number_total             5564
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.184
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.034
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5564
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.045
_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)+(0.0463P)²+0.3155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1010
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C8(H8), C11(H11), C21(H21), C10(H10), C9(H9), C33(H33), C30(H30),
 C1(H1), C5(H5), C23(H23), C2(H2), C32(H32), C18(H18), C16(H16), C4(H4),
 C17(H17), C3(H3)
;
_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
N1 N 0.42577(12) 0.08435(10) 0.30976(9) 0.0251(3) Uani 1 1 d . . . . .
N4 N 0.47565(16) 0.34611(11) 0.70233(10) 0.0392(3) Uani 1 1 d . . . . .
N2 N 0.87077(15) 0.38516(12) -0.05165(10) 0.0388(3) Uani 1 1 d . . . . .
C20 C 0.63803(15) 0.34312(11) 0.39856(10) 0.0227(3) Uani 1 1 d . . . . .
N3 N 0.94226(17) 0.69608(13) 0.51667(10) 0.0463(4) Uani 1 1 d . . . . .
C12 C 0.67236(15) 0.15207(12) 0.29949(9) 0.0218(3) Uani 1 1 d . . . . .
C25 C 0.73360(15) 0.44100(12) 0.40755(10) 0.0234(3) Uani 1 1 d . . . . .
C28 C 0.78034(15) 0.44585(12) 0.31393(10) 0.0235(3) Uani 1 1 d . . . . .
C29 C 0.71223(15) 0.35153(12) 0.24908(10) 0.0228(3) Uani 1 1 d . . . . .
C7 C 0.57516(15) 0.06217(12) 0.30984(9) 0.0218(3) Uani 1 1 d . . . . .
C15 C 0.39357(15) 0.36060(12) 0.20457(10) 0.0256(3) Uani 1 1 d . . . . .
H15 H 0.455564 0.421512 0.192387 0.031 Uiso 1 1 calc R . . . .
C6 C 0.33004(14) -0.00829(11) 0.32632(10) 0.0233(3) Uani 1 1 d . . . . .
C8 C 0.62830(15) -0.04861(12) 0.32123(10) 0.0253(3) Uani 1 1 d . . . . .
H8 H 0.562926 -0.110101 0.328350 0.030 Uiso 1 1 calc R . . . .
C14 C 0.45533(15) 0.27092(12) 0.25211(10) 0.0229(3) Uani 1 1 d . . . . .
C11 C 0.81980(15) 0.12873(12) 0.30018(10) 0.0243(3) Uani 1 1 d . . . . .
H11 H 0.885970 0.189456 0.292658 0.029 Uiso 1 1 calc R . . . .
C13 C 0.61680(14) 0.27580(11) 0.29655(10) 0.0216(3) Uani 1 1 d . . . . .
C31 C 0.82514(15) 0.41625(12) 0.12493(10) 0.0258(3) Uani 1 1 d . . . . .
C21 C 0.57345(15) 0.31815(12) 0.47525(10) 0.0238(3) Uani 1 1 d . . . . .
H21 H 0.508319 0.251873 0.468594 0.029 Uiso 1 1 calc R . . . .
C34 C 0.85025(16) 0.39965(13) 0.02638(11) 0.0296(3) Uani 1 1 d . . . . .
C19 C 0.36408(15) 0.17886(12) 0.26666(10) 0.0250(3) Uani 1 1 d . . . . .
C10 C 0.87185(16) 0.01904(13) 0.31159(11) 0.0284(3) Uani 1 1 d . . . . .
H10 H 0.972809 0.004461 0.312136 0.034 Uiso 1 1 calc R . . . .
C27 C 0.53559(17) 0.36745(12) 0.64190(11) 0.0283(3) Uani 1 1 d . . . . .
C22 C 0.60578(15) 0.39209(12) 0.56248(10) 0.0253(3) Uani 1 1 d . . . . .
C9 C 0.77500(16) -0.06929(12) 0.32221(11) 0.0282(3) Uani 1 1 d . . . . .
H9 H 0.809924 -0.144894 0.330260 0.034 Uiso 1 1 calc R . . . .
C33 C 0.87249(16) 0.52589(12) 0.28390(11) 0.0284(3) Uani 1 1 d . . . . .
H33 H 0.919393 0.589825 0.328009 0.034 Uiso 1 1 calc R . . . .
C30 C 0.73282(15) 0.33536(12) 0.15439(10) 0.0248(3) Uani 1 1 d . . . . .
H30 H 0.685917 0.271356 0.110361 0.030 Uiso 1 1 calc R . . . .
C24 C 0.76597(15) 0.51400(12) 0.49559(10) 0.0256(3) Uani 1 1 d . . . . .
C1 C 0.29911(15) -0.01065(13) 0.41795(10) 0.0271(3) Uani 1 1 d . . . . .
H1 H 0.338690 0.049124 0.468704 0.032 Uiso 1 1 calc R . . . .
C5 C 0.27133(16) -0.09404(13) 0.25179(11) 0.0291(3) Uani 1 1 d . . . . .
H5 H 0.291420 -0.091342 0.188561 0.035 Uiso 1 1 calc R . . . .
C23 C 0.70187(15) 0.48959(12) 0.57364(10) 0.0266(3) Uani 1 1 d . . . . .
H23 H 0.723340 0.538781 0.633778 0.032 Uiso 1 1 calc R . . . .
C2 C 0.20997(16) -0.10061(13) 0.43578(11) 0.0304(3) Uani 1 1 d . . . . .
H2 H 0.188552 -0.102632 0.498787 0.036 Uiso 1 1 calc R . . . .
C32 C 0.89419(16) 0.51059(12) 0.18940(11) 0.0289(3) Uani 1 1 d . . . . .
H32 H 0.956350 0.564393 0.167949 0.035 Uiso 1 1 calc R . . . .
C26 C 0.86364(17) 0.61564(13) 0.50758(11) 0.0316(3) Uani 1 1 d . . . . .
C18 C 0.21290(16) 0.18331(13) 0.23858(11) 0.0320(4) Uani 1 1 d . . . . .
H18 H 0.149862 0.122964 0.250557 0.038 Uiso 1 1 calc R . . . .
C16 C 0.24407(16) 0.36291(13) 0.17474(11) 0.0306(3) Uani 1 1 d . . . . .
H16 H 0.203444 0.424171 0.141778 0.037 Uiso 1 1 calc R . . . .
C4 C 0.18278(16) -0.18415(13) 0.26998(12) 0.0321(3) Uani 1 1 d . . . . .
H4 H 0.142880 -0.243878 0.219275 0.038 Uiso 1 1 calc R . . . .
C17 C 0.15430(16) 0.27424(14) 0.19375(12) 0.0336(4) Uani 1 1 d . . . . .
H17 H 0.051067 0.276368 0.175553 0.040 Uiso 1 1 calc R . . . .
C3 C 0.15274(16) -0.18685(13) 0.36194(12) 0.0308(3) Uani 1 1 d . . . . .
H3 H 0.092212 -0.248625 0.374252 0.037 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
N1 C7 1.4084(17) . ?
N1 C6 1.4428(16) . ?
N1 C19 1.4070(17) . ?
N4 C27 1.1434(18) . ?
N2 C34 1.1446(19) . ?
C20 C25 1.4010(19) . ?
C20 C13 1.530(2) . ?
C20 C21 1.3823(18) . ?
N3 C26 1.1491(19) . ?
C12 C7 1.3984(18) . ?
C12 C11 1.3924(19) . ?
C12 C13 1.5284(18) . ?
C25 C28 1.4695(19) . ?
C25 C24 1.397(2) . ?
C28 C29 1.397(2) . ?
C28 C33 1.3980(18) . ?
C29 C13 1.5222(17) . ?
C29 C30 1.3765(19) . ?
C7 C8 1.3972(19) . ?
C15 H15 0.9500 . ?
C15 C14 1.3926(19) . ?
C15 C16 1.382(2) . ?
C6 C1 1.3799(19) . ?
C6 C5 1.382(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.379(2) . ?
C14 C13 1.5228(19) . ?
C14 C19 1.4020(18) . ?
C11 H11 0.9500 . ?
C11 C10 1.3819(19) . ?
C31 C34 1.443(2) . ?
C31 C30 1.4019(18) . ?
C31 C32 1.397(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.393(2) . ?
C19 C18 1.395(2) . ?
C10 H10 0.9500 . ?
C10 C9 1.384(2) . ?
C27 C22 1.4445(19) . ?
C22 C23 1.397(2) . ?
C9 H9 0.9500 . ?
C33 H33 0.9500 . ?
C33 C32 1.377(2) . ?
C30 H30 0.9500 . ?
C24 C23 1.3951(19) . ?
C24 C26 1.442(2) . ?
C1 H1 0.9500 . ?
C1 C2 1.3884(19) . ?
C5 H5 0.9500 . ?
C5 C4 1.388(2) . ?
C23 H23 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.376(2) . ?
C32 H32 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.375(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(2) . ?
C4 H4 0.9500 . ?
C4 C3 1.382(2) . ?
C17 H17 0.9500 . ?
C3 H3 0.9500 . ?

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
C7 N1 C6 118.50(11) . . ?
C19 N1 C7 119.72(10) . . ?
C19 N1 C6 119.06(11) . . ?
C25 C20 C13 111.29(11) . . ?
C21 C20 C25 121.06(13) . . ?
C21 C20 C13 127.64(12) . . ?
C7 C12 C13 119.12(12) . . ?
C11 C12 C7 119.12(12) . . ?
C11 C12 C13 121.54(11) . . ?
C20 C25 C28 108.26(12) . . ?
C24 C25 C20 119.71(12) . . ?
C24 C25 C28 132.02(12) . . ?
C29 C28 C25 108.25(11) . . ?
C29 C28 C33 120.41(13) . . ?
C33 C28 C25 131.33(13) . . ?
C28 C29 C13 111.75(12) . . ?
C30 C29 C28 121.21(12) . . ?
C30 C29 C13 127.03(12) . . ?
C12 C7 N1 119.89(12) . . ?
C8 C7 N1 120.80(11) . . ?
C8 C7 C12 119.30(12) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C16 C15 C14 121.42(12) . . ?
C1 C6 N1 118.97(13) . . ?
C1 C6 C5 120.46(13) . . ?
C5 C6 N1 120.56(12) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.44(12) . . ?
C9 C8 H8 119.8 . . ?
C15 C14 C13 121.65(12) . . ?
C15 C14 C19 119.09(13) . . ?
C19 C14 C13 119.03(12) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 C12 121.35(12) . . ?
C10 C11 H11 119.3 . . ?
C12 C13 C20 109.79(10) . . ?
C29 C13 C20 100.44(10) . . ?
C29 C13 C12 112.61(11) . . ?
C29 C13 C14 113.35(11) . . ?
C14 C13 C20 109.89(11) . . ?
C14 C13 C12 110.33(11) . . ?
C30 C31 C34 118.81(13) . . ?
C32 C31 C34 119.96(12) . . ?
C32 C31 C30 121.22(13) . . ?
C20 C21 H21 120.7 . . ?
C20 C21 C22 118.68(13) . . ?
C22 C21 H21 120.7 . . ?
N2 C34 C31 179.17(16) . . ?
C14 C19 N1 119.76(12) . . ?
C18 C19 N1 121.14(12) . . ?
C18 C19 C14 119.09(12) . . ?
C11 C10 H10 120.4 . . ?
C11 C10 C9 119.14(13) . . ?
C9 C10 H10 120.4 . . ?
N4 C27 C22 177.44(18) . . ?
C21 C22 C27 118.62(13) . . ?
C21 C22 C23 121.40(13) . . ?
C23 C22 C27 119.97(13) . . ?
C8 C9 C10 120.64(13) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C28 C33 H33 120.5 . . ?
C32 C33 C28 118.95(13) . . ?
C32 C33 H33 120.5 . . ?
C29 C30 C31 117.95(13) . . ?
C29 C30 H30 121.0 . . ?
C31 C30 H30 121.0 . . ?
C25 C24 C26 121.32(13) . . ?
C23 C24 C25 119.80(13) . . ?
C23 C24 C26 118.88(13) . . ?
C6 C1 H1 120.1 . . ?
C6 C1 C2 119.82(14) . . ?
C2 C1 H1 120.1 . . ?
C6 C5 H5 120.2 . . ?
C6 C5 C4 119.54(14) . . ?
C4 C5 H5 120.2 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.34(14) . . ?
C24 C23 H23 120.3 . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.83(14) . . ?
C3 C2 H2 120.1 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.25(13) . . ?
C33 C32 H32 119.9 . . ?
N3 C26 C24 179.40(18) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 C19 120.60(13) . . ?
C17 C18 H18 119.7 . . ?
C15 C16 H16 120.6 . . ?
C15 C16 C17 118.86(13) . . ?
C17 C16 H16 120.6 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 119.92(14) . . ?
C3 C4 H4 120.0 . . ?
C18 C17 C16 120.81(14) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C2 C3 C4 120.41(13) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
1 0 0 2.233
2 0 0 4.470
-1 1 0 2.803
0 1 0 1.783
-2 2 0 5.613
-1 3 0 5.725
2 -3 1 7.000
2 -2 1 5.859
0 -1 1 2.145
0 0 1 1.466
-1 1 1 3.112
0 0 3 4.402
-1 1 3 5.126
0 1 3 4.977
-1 0 4 5.938

_platon_squeeze_details          
;
TITL 0613zxd4_0m_a.res in P-1
CELL    9.2430   11.5338   14.2060     97.78     99.09     90.97
SPGR P-1
# Solvent Accessible Volume =       360
# Electrons Found in S.A.V. =        96
# Note: Atoms in Void as Cxxx and Qxxx all others
C101 0.550 0.627 0.050 !       7.23 eA-3
C102 0.482 0.823 0.021 !       6.34 eA-3
C103 0.308 0.018 0.036 !       5.59 eA-3
C104 0.520 0.877 0.042 !       5.00 eA-3
C105 0.809 0.778 0.090 !       4.80 eA-3
C106 0.512 0.773 0.076 !       4.79 eA-3
C107 0.620 0.748 0.093 !       2.25 eA-3
C108 0.825 0.975 0.014 !       1.94 eA-3
C109 0.802 0.996 0.042 !       1.69 eA-3
C110 0.890 0.899 0.064 !       1.63 eA-3
C111 0.935 0.025 0.006 !       1.54 eA-3
C112 0.887 0.049 0.010 !       1.47 eA-3
C113 0.716 0.822 0.064 !       0.80 eA-3
C114 0.501 0.707 0.019 !       0.60 eA-3
C115 0.422 1.002 0.005 !       0.59 eA-3
Q116 0.409 0.352 0.017 !       0.51 eA-3
;
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 -0.042 -0.006 0.000 358 96 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
