# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_2_sq
_database_code_depnum_ccdc_archive 'CCDC 1969990'
loop_
_audit_author_name
_audit_author_address
'Zhaosheng Qian'
;Zhejiang Normal University
China
;
_audit_update_record             
;
2019-12-04 deposited with the CCDC.	2021-07-21 downloaded from the CCDC.
;
_audit_creation_date             2019-10-28
_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            DCBNPE
_chemical_name_systematic        
(E)-1,2-di(9H-carbazol-9-yl)-1,2-bis(4-nitrophenyl)ethene
_chemical_formula_moiety         'C38 H24 N4 O4, O'
_chemical_formula_sum            'C38 H24 N4 O5'
_chemical_formula_weight         616.61
_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'

_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                   28.467(4)
_cell_length_b                   12.8462(17)
_cell_length_c                   20.218(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.661(7)
_cell_angle_gamma                90
_cell_volume                     6917.9(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7300
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      68.13
_cell_measurement_theta_min      4.16
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.653
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.4901
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1267 before and 0.0925 after correction.
The Ratio of minimum to maximum transmission is 0.6508.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            cyan
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26235
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.509
_diffrn_reflns_theta_min         4.162
_diffrn_ambient_temperature      301.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4806
_reflns_number_total             6342
_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  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.589
_refine_diff_density_min         -0.179
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6342
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0652
_refine_ls_restrained_S_all      1.057
_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)+(0.1330P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1867
_refine_ls_wR_factor_ref         0.2019
_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:
 C34(H34), C38(H38), C32(H32), C28(H28), C35(H35), C19(H19), C25(H25), C4(H4),
 C16(H16), C29(H29), C17(H17), C7(H7), C31(H31), C13(H13), C24(H24), C18(H18),
 C5(H5), C37(H37), C6(H6), C22(H22), C23(H23), C12(H12), C10(H10), C11(H11)
;
_atom_sites_solution_hydrogens   geom
_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
N2 N 0.20508(6) 0.59875(13) 0.25942(8) 0.0588(4) Uani 1 1 d . . . . .
N1 N 0.11758(6) 0.49487(13) 0.09133(7) 0.0560(4) Uani 1 1 d . . . . .
C27 C 0.17457(7) 0.64317(15) 0.10849(9) 0.0569(4) Uani 1 1 d . . . . .
C1 C 0.15717(7) 0.55346(15) 0.13936(9) 0.0539(4) Uani 1 1 d . . . . .
C2 C 0.17529(7) 0.52733(15) 0.20880(9) 0.0555(4) Uani 1 1 d . . . . .
C14 C 0.07206(7) 0.46668(16) 0.09878(9) 0.0584(4) Uani 1 1 d . . . . .
C15 C 0.18882(8) 0.69466(16) 0.27694(9) 0.0601(4) Uani 1 1 d . . . . .
C26 C 0.25263(7) 0.57677(16) 0.30928(9) 0.0596(4) Uani 1 1 d . . . . .
C34 C 0.14652(8) 0.43650(16) 0.29632(10) 0.0630(5) Uani 1 1 d . . . . .
H34 H 0.1502 0.4988 0.3210 0.076 Uiso 1 1 calc R . . . .
C38 C 0.15870(8) 0.33511(16) 0.20423(10) 0.0636(5) Uani 1 1 d . . . . .
H38 H 0.1702 0.3294 0.1666 0.076 Uiso 1 1 calc R . . . .
C3 C 0.12157(7) 0.43962(15) 0.03370(9) 0.0558(4) Uani 1 1 d . . . . .
C8 C 0.07929(8) 0.37619(17) 0.00536(10) 0.0628(5) Uani 1 1 d . . . . .
C33 C 0.16080(7) 0.43112(15) 0.23712(9) 0.0558(4) Uani 1 1 d . . . . .
C32 C 0.13970(8) 0.69737(19) 0.05308(10) 0.0666(5) Uani 1 1 d . . . . .
H32 H 0.1061 0.6779 0.0376 0.080 Uiso 1 1 calc R . . . .
C9 C 0.04774(7) 0.39290(17) 0.04707(10) 0.0635(5) Uani 1 1 d . . . . .
C21 C 0.26642(8) 0.65743(17) 0.35911(9) 0.0650(5) Uani 1 1 d . . . . .
C28 C 0.22467(8) 0.67363(19) 0.13103(11) 0.0673(5) Uani 1 1 d . . . . .
H28 H 0.2483 0.6378 0.1678 0.081 Uiso 1 1 calc R . . . .
C35 C 0.12717(8) 0.35112(18) 0.31862(11) 0.0676(5) Uani 1 1 d . . . . .
H35 H 0.1171 0.3554 0.3576 0.081 Uiso 1 1 calc R . . . .
C20 C 0.22604(8) 0.73237(17) 0.33881(10) 0.0648(5) Uani 1 1 d . . . . .
C19 C 0.21742(11) 0.8266(2) 0.36744(12) 0.0817(7) Uani 1 1 d . . . . .
H19 H 0.2410 0.8525 0.4088 0.098 Uiso 1 1 calc R . . . .
N3 N 0.22032(11) 0.89483(19) 0.01156(13) 0.0911(7) Uani 1 1 d . . . . .
C25 C 0.28421(8) 0.49454(18) 0.31057(11) 0.0704(5) Uani 1 1 d . . . . .
H25 H 0.2746 0.4423 0.2766 0.084 Uiso 1 1 calc R . . . .
C4 C 0.16000(8) 0.44186(17) 0.00610(10) 0.0641(5) Uani 1 1 d . . . . .
H4 H 0.1880 0.4843 0.0255 0.077 Uiso 1 1 calc R . . . .
C16 C 0.14490(9) 0.74871(17) 0.24314(11) 0.0680(5) Uani 1 1 d . . . . .
H16 H 0.1208 0.7232 0.2022 0.082 Uiso 1 1 calc R . . . .
C30 C 0.20416(9) 0.80723(18) 0.04494(11) 0.0698(5) Uani 1 1 d . . . . .
C36 C 0.12293(8) 0.25892(17) 0.28205(11) 0.0660(5) Uani 1 1 d . . . . .
C29 C 0.23969(8) 0.7558(2) 0.09975(12) 0.0732(6) Uani 1 1 d . . . . .
H29 H 0.2732 0.7763 0.1153 0.088 Uiso 1 1 calc R . . . .
N4 N 0.09929(9) 0.16960(18) 0.30283(13) 0.0866(6) Uani 1 1 d . . . . .
C17 C 0.13820(10) 0.84204(19) 0.27249(14) 0.0800(6) Uani 1 1 d . . . . .
H17 H 0.1090 0.8802 0.2506 0.096 Uiso 1 1 calc R . . . .
C7 C 0.07547(10) 0.3133(2) -0.05278(12) 0.0804(6) Uani 1 1 d . . . . .
H7 H 0.0478 0.2702 -0.0725 0.097 Uiso 1 1 calc R . . . .
C31 C 0.15423(9) 0.7793(2) 0.02084(11) 0.0749(6) Uani 1 1 d . . . . .
H31 H 0.1309 0.8150 -0.0163 0.090 Uiso 1 1 calc R . . . .
C13 C 0.05066(8) 0.5033(2) 0.14645(11) 0.0712(6) Uani 1 1 d . . . . .
H13 H 0.0665 0.5535 0.1800 0.085 Uiso 1 1 calc R . . . .
C24 C 0.33062(9) 0.4928(2) 0.36429(13) 0.0807(6) Uani 1 1 d . . . . .
H24 H 0.3528 0.4387 0.3663 0.097 Uiso 1 1 calc R . . . .
C18 C 0.17395(12) 0.8803(2) 0.33388(15) 0.0882(7) Uani 1 1 d . . . . .
H18 H 0.1683 0.9433 0.3525 0.106 Uiso 1 1 calc R . . . .
C5 C 0.15490(10) 0.3788(2) -0.05108(11) 0.0768(6) Uani 1 1 d . . . . .
H5 H 0.1801 0.3783 -0.0704 0.092 Uiso 1 1 calc R . . . .
C37 C 0.14001(9) 0.24899(17) 0.22644(11) 0.0700(5) Uani 1 1 d . . . . .
H37 H 0.1389 0.1850 0.2044 0.084 Uiso 1 1 calc R . . . .
O2 O 0.19099(12) 0.9279(2) -0.04360(15) 0.1344(9) Uani 1 1 d . . . . .
O3 O 0.09648(13) 0.08876(18) 0.27150(16) 0.1332(10) Uani 1 1 d . . . . .
C6 C 0.11328(12) 0.3162(2) -0.08036(12) 0.0868(7) Uani 1 1 d . . . . .
H6 H 0.1107 0.2752 -0.1194 0.104 Uiso 1 1 calc R . . . .
O1 O 0.26163(11) 0.9289(2) 0.03910(14) 0.1272(9) Uani 1 1 d . . . . .
C22 C 0.31330(9) 0.6527(2) 0.41343(11) 0.0795(6) Uani 1 1 d . . . . .
H22 H 0.3231 0.7044 0.4478 0.095 Uiso 1 1 calc R . . . .
O4 O 0.08253(10) 0.1811(2) 0.35038(13) 0.1157(7) Uani 1 1 d . . . . .
C23 C 0.34464(10) 0.5706(3) 0.41525(13) 0.0883(7) Uani 1 1 d . . . . .
H23 H 0.3758 0.5671 0.4513 0.106 Uiso 1 1 calc R . . . .
C12 C 0.00467(9) 0.4617(3) 0.14171(14) 0.0890(8) Uani 1 1 d . . . . .
H12 H -0.0107 0.4845 0.1728 0.107 Uiso 1 1 calc R . . . .
C10 C 0.00183(9) 0.3517(2) 0.04395(14) 0.0846(7) Uani 1 1 d . . . . .
H10 H -0.0143 0.3017 0.0104 0.102 Uiso 1 1 calc R . . . .
C11 C -0.01908(10) 0.3864(3) 0.09138(15) 0.0957(8) Uani 1 1 d . . . . .
H11 H -0.0497 0.3592 0.0900 0.115 Uiso 1 1 calc R . . . .
O5 O 0.4716(3) 0.4131(9) 0.4098(4) 0.357(6) Uani 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
N2 C2 1.413(2) . ?
N2 C15 1.405(3) . ?
N2 C26 1.402(3) . ?
N1 C1 1.417(2) . ?
N1 C14 1.404(2) . ?
N1 C3 1.403(2) . ?
C27 C1 1.477(3) . ?
C27 C32 1.393(3) . ?
C27 C28 1.391(3) . ?
C1 C2 1.356(3) . ?
C2 C33 1.481(3) . ?
C14 C9 1.400(3) . ?
C14 C13 1.391(3) . ?
C15 C20 1.410(3) . ?
C15 C16 1.382(3) . ?
C26 C21 1.401(3) . ?
C26 C25 1.381(3) . ?
C34 C33 1.395(3) . ?
C34 C35 1.373(3) . ?
C38 C33 1.392(3) . ?
C38 C37 1.370(3) . ?
C3 C8 1.398(3) . ?
C3 C4 1.393(3) . ?
C8 C9 1.448(3) . ?
C8 C7 1.399(3) . ?
C32 C31 1.377(3) . ?
C9 C10 1.390(3) . ?
C21 C20 1.444(3) . ?
C21 C22 1.399(3) . ?
C28 C29 1.374(3) . ?
C35 C36 1.379(3) . ?
C20 C19 1.400(3) . ?
C19 C18 1.369(4) . ?
N3 C30 1.467(3) . ?
N3 O2 1.210(4) . ?
N3 O1 1.193(3) . ?
C25 C24 1.383(3) . ?
C4 C5 1.377(3) . ?
C16 C17 1.381(3) . ?
C30 C29 1.377(4) . ?
C30 C31 1.378(3) . ?
C36 N4 1.465(3) . ?
C36 C37 1.379(3) . ?
N4 O3 1.204(3) . ?
N4 O4 1.224(3) . ?
C17 C18 1.388(4) . ?
C7 C6 1.376(4) . ?
C13 C12 1.386(3) . ?
C24 C23 1.389(4) . ?
C5 C6 1.380(4) . ?
C22 C23 1.373(4) . ?
C12 C11 1.394(4) . ?
C10 C11 1.369(4) . ?

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
C15 N2 C2 125.82(16) . . ?
C26 N2 C2 124.79(16) . . ?
C26 N2 C15 108.41(15) . . ?
C14 N1 C1 127.20(14) . . ?
C3 N1 C1 124.07(14) . . ?
C3 N1 C14 107.88(15) . . ?
C32 C27 C1 118.67(17) . . ?
C28 C27 C1 122.60(17) . . ?
C28 C27 C32 118.70(18) . . ?
N1 C1 C27 115.42(14) . . ?
C2 C1 N1 119.88(16) . . ?
C2 C1 C27 124.67(16) . . ?
N2 C2 C33 116.10(14) . . ?
C1 C2 N2 120.07(17) . . ?
C1 C2 C33 123.43(16) . . ?
C9 C14 N1 109.05(16) . . ?
C13 C14 N1 129.31(19) . . ?
C13 C14 C9 121.62(18) . . ?
N2 C15 C20 108.29(18) . . ?
C16 C15 N2 129.58(18) . . ?
C16 C15 C20 122.12(19) . . ?
C21 C26 N2 108.82(18) . . ?
C25 C26 N2 128.64(18) . . ?
C25 C26 C21 122.44(19) . . ?
C35 C34 C33 120.95(19) . . ?
C37 C38 C33 121.00(18) . . ?
C8 C3 N1 108.96(16) . . ?
C4 C3 N1 128.87(18) . . ?
C4 C3 C8 122.16(18) . . ?
C3 C8 C9 107.22(16) . . ?
C3 C8 C7 118.8(2) . . ?
C7 C8 C9 134.0(2) . . ?
C34 C33 C2 119.72(17) . . ?
C38 C33 C2 121.71(16) . . ?
C38 C33 C34 118.50(18) . . ?
C31 C32 C27 121.00(19) . . ?
C14 C9 C8 106.88(16) . . ?
C10 C9 C14 120.0(2) . . ?
C10 C9 C8 133.1(2) . . ?
C26 C21 C20 107.20(17) . . ?
C22 C21 C26 118.7(2) . . ?
C22 C21 C20 134.1(2) . . ?
C29 C28 C27 121.0(2) . . ?
C34 C35 C36 118.64(18) . . ?
C15 C20 C21 107.27(18) . . ?
C19 C20 C15 118.5(2) . . ?
C19 C20 C21 134.2(2) . . ?
C18 C19 C20 119.3(2) . . ?
O2 N3 C30 117.8(3) . . ?
O1 N3 C30 119.0(2) . . ?
O1 N3 O2 123.2(2) . . ?
C26 C25 C24 117.5(2) . . ?
C5 C4 C3 117.3(2) . . ?
C17 C16 C15 117.5(2) . . ?
C29 C30 N3 118.5(2) . . ?
C29 C30 C31 122.21(19) . . ?
C31 C30 N3 119.3(2) . . ?
C35 C36 N4 118.76(19) . . ?
C35 C36 C37 121.83(19) . . ?
C37 C36 N4 119.4(2) . . ?
C28 C29 C30 118.7(2) . . ?
O3 N4 C36 118.5(2) . . ?
O3 N4 O4 123.0(2) . . ?
O4 N4 C36 118.5(2) . . ?
C16 C17 C18 121.5(3) . . ?
C6 C7 C8 119.0(2) . . ?
C32 C31 C30 118.5(2) . . ?
C12 C13 C14 117.1(2) . . ?
C25 C24 C23 121.1(3) . . ?
C19 C18 C17 120.9(2) . . ?
C4 C5 C6 121.5(2) . . ?
C38 C37 C36 118.8(2) . . ?
C7 C6 C5 121.2(2) . . ?
C23 C22 C21 119.0(2) . . ?
C22 C23 C24 121.2(2) . . ?
C13 C12 C11 121.4(2) . . ?
C11 C10 C9 118.6(2) . . ?
C10 C11 C12 121.2(2) . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
2 0 0 3.318
1 1 0 3.820
0 2 0 6.893
2 2 1 8.348
-2 0 2 4.682
4 0 2 9.405
-3 1 2 6.493
3 1 3 10.558
-4 2 3 10.429
2 2 3 11.195
-4 0 4 9.396
2 0 4 11.026
-6 2 4 13.072
-4 0 6 13.337
-12 2 6 21.547

_platon_squeeze_details          
;
TITL 2 in C2/c #15
CELL   28.4670   12.8462   20.2180     90.00    110.66     90.00
SPGR C2/c
# Solvent Accessible Volume =      1012
# Electrons Found in S.A.V. =        45
# Note: Atoms in Void as Cxxx and Qxxx all others
Q101 1.000 0.049 0.110 !       1.01 eA-3
Q102 0.539 0.374 0.078 !       0.72 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 0.000 -0.044 0.250 239 11 ' '
2 0.000 0.044 0.750 239 11 ' '
3 0.500 0.456 0.250 239 11 ' '
4 0.500 0.211 0.750 16 0 ' '
5 0.000 0.292 0.250 15 0 ' '
6 0.500 0.545 0.750 239 11 ' '
7 0.000 0.708 0.750 16 0 ' '
8 0.500 0.792 0.250 15 0 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dioxane'
_exptl_crystal_preparation       Luminescent
