# 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_sq
_database_code_depnum_ccdc_archive 'CCDC 2270628'
loop_
_audit_author_name
_audit_author_address
'shaodan qin'
;Changchun University of Science and Technology
China
;
_audit_update_record             
;
2023-06-18 deposited with the CCDC.	2024-05-31 downloaded from the CCDC.
;
_audit_creation_date             2023-06-18
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C68 H44 Co3 N4 O14'
_chemical_formula_sum            'C68 H Co3 N4 O14'
_chemical_formula_weight         1274.52
_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'
Co Co 0.3494 0.9721 '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'
H H 0.0000 0.0000 '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                   12.174(3)
_cell_length_b                   12.458(3)
_cell_length_c                   13.317(3)
_cell_angle_alpha                80.136(3)
_cell_angle_beta                 81.546(4)
_cell_angle_gamma                83.025(4)
_cell_volume                     1958.6(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1479
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.43
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.081
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             630
_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  0.0542
_diffrn_reflns_av_unetI/netI     0.1164
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11626
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.797
_diffrn_reflns_theta_min         1.667
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4077
_reflns_number_total             7475
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.603
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7475
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0557
_refine_ls_restrained_S_all      0.908
_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)+(0.0694P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1276
_refine_ls_wR_factor_ref         0.1536
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C017(H01A,H01B)
2.b Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00N(H00N),
 C00O(H00O), C00Q(H00Q), C00T(H00T), C00W(H00W), C00X(H00X), C00Y(H00Y),
 C00Z(H00Z), C011(H011), C012(H012), C013(H013), C014(H014), C016(H016),
 C018(H018), C019(H019)
;
_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
Co01 Co 0.000000 1.000000 1.000000 0.0383(2) Uani 1 2 d S T P . .
Co02 Co -0.14703(5) 1.00886(5) 0.77543(4) 0.03669(19) Uani 1 1 d . . . . .
O003 O 0.0130(2) 1.0393(2) 0.7257(2) 0.0451(8) Uani 1 1 d . . . . .
O004 O 0.8645(2) 0.9470(2) -0.0698(2) 0.0429(8) Uani 1 1 d . . . . .
O005 O 0.0978(2) 0.9821(3) 0.8672(2) 0.0479(8) Uani 1 1 d . . . . .
O006 O -0.0572(2) 1.1655(2) 0.9504(2) 0.0503(8) Uani 1 1 d . . . . .
O007 O 0.6978(3) 0.9530(3) -0.1173(2) 0.0576(9) Uani 1 1 d . . . . .
O008 O 0.7732(3) 0.1261(3) 0.6791(3) 0.0635(10) Uani 1 1 d . . . . .
N009 N -0.1403(3) 0.8825(3) 0.6917(3) 0.0454(10) Uani 1 1 d . . . . .
O00A O 0.7989(3) 0.1939(3) 0.8127(3) 0.0761(12) Uani 1 1 d . . . . .
N00B N -0.0823(3) 0.7841(3) 0.5681(3) 0.0526(11) Uani 1 1 d . . . . .
C00C C 0.5937(3) 0.7710(3) 0.3750(3) 0.0357(10) Uani 1 1 d . . . . .
C00D C 0.0972(4) 1.0004(3) 0.7716(3) 0.0373(10) Uani 1 1 d . . . . .
C00E C 0.6337(3) 0.6690(3) 0.4241(3) 0.0362(10) Uani 1 1 d . . . . .
H00E H 0.683571 0.623181 0.386787 0.043 Uiso 1 1 calc R . . . .
C00F C 0.6004(3) 0.6344(3) 0.5279(3) 0.0347(10) Uani 1 1 d . . . . .
C00G C 0.6424(3) 0.5249(3) 0.5804(3) 0.0352(10) Uani 1 1 d . . . . .
C00H C 0.2029(3) 0.9658(3) 0.7073(3) 0.0360(10) Uani 1 1 d . . . . .
C00I C 0.2099(4) 0.9755(3) 0.6002(3) 0.0409(11) Uani 1 1 d . . . . .
H00I H 0.151589 1.013375 0.566678 0.049 Uiso 1 1 calc R . . . .
C00J C 0.7857(4) 0.8202(3) 0.1240(3) 0.0398(11) Uani 1 1 d . . . . .
H00J H 0.860137 0.802977 0.099390 0.048 Uiso 1 1 calc R . . . .
C00K C 0.5250(3) 0.7033(3) 0.5820(3) 0.0383(10) Uani 1 1 d . . . . .
H00K H 0.502978 0.681180 0.651672 0.046 Uiso 1 1 calc R . . . .
C00L C 0.3031(3) 0.9290(3) 0.5438(3) 0.0382(11) Uani 1 1 d . . . . .
H00L H 0.307146 0.936974 0.472654 0.046 Uiso 1 1 calc R . . . .
C00M C 0.7157(4) 0.8840(3) 0.0595(3) 0.0411(11) Uani 1 1 d . . . . .
C00N C 0.7455(3) 0.7817(3) 0.2256(3) 0.0422(11) Uani 1 1 d . . . . .
H00N H 0.793519 0.738627 0.268064 0.051 Uiso 1 1 calc R . . . .
C00O C 0.5184(3) 0.8376(3) 0.4297(3) 0.0382(11) Uani 1 1 d . . . . .
H00O H 0.491500 0.905559 0.396684 0.046 Uiso 1 1 calc R . . . .
C00P C 0.6341(4) 0.8069(3) 0.2647(3) 0.0391(11) Uani 1 1 d . . . . .
C00Q C 0.3865(4) 0.8681(4) 0.6979(3) 0.0456(12) Uani 1 1 d . . . . .
H00Q H 0.447052 0.834520 0.730581 0.055 Uiso 1 1 calc R . . . .
C00R C 0.3899(4) 0.8711(3) 0.5922(3) 0.0403(11) Uani 1 1 d . . . . .
C00S C 0.4811(3) 0.8059(3) 0.5341(3) 0.0379(10) Uani 1 1 d . . . . .
C00T C 0.6977(4) 0.3317(4) 0.5772(3) 0.0446(11) Uani 1 1 d . . . . .
H00T H 0.707836 0.272692 0.541324 0.054 Uiso 1 1 calc R . . . .
C00U C 0.7598(4) 0.9302(4) -0.0471(3) 0.0407(11) Uani 1 1 d . . . . .
C00V C 0.7217(4) 0.3170(4) 0.6765(4) 0.0428(11) Uani 1 1 d . . . . .
C00W C 0.6033(4) 0.9068(4) 0.0969(3) 0.0500(13) Uani 1 1 d . . . . .
H00W H 0.554936 0.947613 0.053607 0.060 Uiso 1 1 calc R . . . .
C00X C 0.6581(4) 0.4352(3) 0.5301(3) 0.0429(11) Uani 1 1 d . . . . .
H00X H 0.641862 0.443868 0.462959 0.052 Uiso 1 1 calc R . . . .
C00Y C -0.0546(4) 0.8492(4) 0.6283(4) 0.0490(12) Uani 1 1 d . . . . .
H00Y H 0.017163 0.868802 0.625596 0.059 Uiso 1 1 calc R . . . .
C00Z C 0.2934(4) 0.9150(4) 0.7548(3) 0.0481(12) Uani 1 1 d . . . . .
H00Z H 0.292031 0.912097 0.825208 0.058 Uiso 1 1 calc R . . . .
C010 C 0.7674(4) 0.2070(4) 0.7256(4) 0.0509(13) Uani 1 1 d . . . . .
C011 C -0.2294(4) 0.8373(4) 0.6668(4) 0.0596(14) Uani 1 1 d . . . . .
H011 H -0.302913 0.847443 0.697418 0.072 Uiso 1 1 calc R . . . .
C012 C 0.5641(4) 0.8691(4) 0.1972(3) 0.0482(12) Uani 1 1 d . . . . .
H012 H 0.489201 0.885370 0.220965 0.058 Uiso 1 1 calc R . . . .
C013 C 0.7066(4) 0.4062(4) 0.7282(4) 0.0571(14) Uani 1 1 d . . . . .
H013 H 0.723249 0.397303 0.795310 0.069 Uiso 1 1 calc R . . . .
C014 C 0.6671(4) 0.5085(4) 0.6810(4) 0.0558(13) Uani 1 1 d . . . . .
H014 H 0.656880 0.567270 0.717185 0.067 Uiso 1 1 calc R . . . .
C015 C -0.0060(4) 0.6134(4) 0.4949(4) 0.0580(14) Uani 1 1 d . . . . .
C016 C -0.1937(5) 0.7765(4) 0.5916(4) 0.0674(16) Uani 1 1 d . . . . .
H016 H -0.236774 0.737113 0.561808 0.081 Uiso 1 1 calc R . . . .
C017 C -0.0085(5) 0.7381(4) 0.4837(4) 0.0749(17) Uani 1 1 d . . . . .
H01A H 0.066633 0.757166 0.482455 0.090 Uiso 1 1 calc R . . . .
H01B H -0.034028 0.770975 0.418681 0.090 Uiso 1 1 calc R . . . .
C018 C 0.0011(5) 0.5666(5) 0.4087(4) 0.0811(19) Uani 1 1 d . . . . .
H018 H 0.000398 0.611052 0.345041 0.097 Uiso 1 1 calc R . . . .
C019 C -0.0093(6) 0.5457(5) 0.5861(5) 0.096(2) Uani 1 1 d . . . . .
H019 H -0.017232 0.575455 0.646504 0.115 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
Co01 O004 2.224(3) 2_676 ?
Co01 O004 2.224(3) 1_456 ?
Co01 O005 2.011(3) 2_577 ?
Co01 O005 2.012(3) . ?
Co01 O006 2.120(3) . ?
Co01 O006 2.120(3) 2_577 ?
Co02 O003 2.023(3) . ?
Co02 O004 2.092(3) 1_456 ?
Co02 O007 2.297(3) 1_456 ?
Co02 O008 2.026(3) 1_465 ?
Co02 N009 2.067(4) . ?
O003 C00D 1.273(5) . ?
O004 C00U 1.301(5) . ?
O005 C00D 1.255(5) . ?
O007 C00U 1.260(5) . ?
O008 C010 1.260(6) . ?
N009 C00Y 1.315(5) . ?
N009 C011 1.386(6) . ?
O00A C010 1.252(6) . ?
N00B C00Y 1.334(6) . ?
N00B C016 1.356(6) . ?
N00B C017 1.483(6) . ?
C00C C00E 1.392(5) . ?
C00C C00O 1.374(5) . ?
C00C C00P 1.488(5) . ?
C00D C00H 1.497(6) . ?
C00E C00F 1.391(5) . ?
C00F C00G 1.490(5) . ?
C00F C00K 1.388(5) . ?
C00G C00X 1.378(6) . ?
C00G C014 1.392(6) . ?
C00H C00I 1.402(5) . ?
C00H C00Z 1.383(6) . ?
C00I C00L 1.388(5) . ?
C00J C00M 1.382(6) . ?
C00J C00N 1.393(5) . ?
C00K C00S 1.408(5) . ?
C00L C00R 1.382(6) . ?
C00M C00U 1.485(6) . ?
C00M C00W 1.398(6) . ?
C00N C00P 1.398(6) . ?
C00O C00S 1.401(5) . ?
C00P C012 1.400(6) . ?
C00Q C00R 1.397(6) . ?
C00Q C00Z 1.393(6) . ?
C00R C00S 1.495(6) . ?
C00T C00V 1.372(6) . ?
C00T C00X 1.396(6) . ?
C00V C010 1.494(6) . ?
C00V C013 1.385(6) . ?
C00W C012 1.373(6) . ?
C011 C016 1.348(7) . ?
C013 C014 1.384(6) . ?
C015 C017 1.532(7) . ?
C015 C018 1.362(7) . ?
C015 C019 1.353(7) . ?
C018 C019 1.381(7) 2_566 ?

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
O004 Co01 O004 180.0 1_456 2_676 ?
O005 Co01 O004 93.58(11) . 2_676 ?
O005 Co01 O004 93.58(11) 2_577 1_456 ?
O005 Co01 O004 86.42(11) 2_577 2_676 ?
O005 Co01 O004 86.42(11) . 1_456 ?
O005 Co01 O005 180.0 2_577 . ?
O005 Co01 O006 94.55(12) . . ?
O005 Co01 O006 85.45(12) 2_577 . ?
O005 Co01 O006 94.55(12) 2_577 2_577 ?
O005 Co01 O006 85.45(12) . 2_577 ?
O006 Co01 O004 89.44(11) 2_577 2_676 ?
O006 Co01 O004 90.56(11) 2_577 1_456 ?
O006 Co01 O004 90.56(11) . 2_676 ?
O006 Co01 O004 89.44(11) . 1_456 ?
O006 Co01 O006 180.0 2_577 . ?
O003 Co02 O004 100.35(12) . 1_456 ?
O003 Co02 O007 160.35(12) . 1_456 ?
O003 Co02 O008 99.99(13) . 1_465 ?
O003 Co02 N009 93.97(14) . . ?
O004 Co02 O007 60.02(11) 1_456 1_456 ?
O008 Co02 O004 143.94(14) 1_465 1_456 ?
O008 Co02 O007 97.45(13) 1_465 1_456 ?
O008 Co02 N009 97.39(15) 1_465 . ?
N009 Co02 O004 110.52(13) . 1_456 ?
N009 Co02 O007 92.69(14) . 1_456 ?
C00D O003 Co02 125.9(3) . . ?
Co02 O004 Co01 117.20(13) 1_654 1_654 ?
C00U O004 Co01 139.7(3) . 1_654 ?
C00U O004 Co02 94.8(2) . 1_654 ?
C00D O005 Co01 141.8(3) . . ?
C00U O007 Co02 86.6(3) . 1_654 ?
C010 O008 Co02 100.7(3) . 1_645 ?
C00Y N009 Co02 126.1(3) . . ?
C00Y N009 C011 104.2(4) . . ?
C011 N009 Co02 127.4(3) . . ?
C00Y N00B C016 107.1(4) . . ?
C00Y N00B C017 126.7(4) . . ?
C016 N00B C017 125.9(4) . . ?
C00E C00C C00P 119.7(4) . . ?
C00O C00C C00E 119.3(4) . . ?
C00O C00C C00P 121.0(4) . . ?
O003 C00D C00H 117.7(4) . . ?
O005 C00D O003 125.6(4) . . ?
O005 C00D C00H 116.5(4) . . ?
C00C C00E C00F 121.2(4) . . ?
C00E C00F C00G 121.3(4) . . ?
C00K C00F C00E 118.6(4) . . ?
C00K C00F C00G 120.1(4) . . ?
C00X C00G C00F 120.6(4) . . ?
C00X C00G C014 117.4(4) . . ?
C014 C00G C00F 122.1(4) . . ?
C00I C00H C00D 121.6(4) . . ?
C00Z C00H C00D 119.5(4) . . ?
C00Z C00H C00I 118.7(4) . . ?
C00L C00I C00H 120.5(4) . . ?
C00M C00J C00N 120.6(4) . . ?
C00F C00K C00S 121.6(4) . . ?
C00R C00L C00I 120.7(4) . . ?
C00J C00M C00U 120.6(4) . . ?
C00J C00M C00W 119.0(4) . . ?
C00W C00M C00U 120.4(4) . . ?
C00J C00N C00P 120.9(4) . . ?
C00C C00O C00S 121.7(4) . . ?
C00N C00P C00C 120.5(4) . . ?
C00N C00P C012 117.6(4) . . ?
C012 C00P C00C 121.9(4) . . ?
C00Z C00Q C00R 120.6(4) . . ?
C00L C00R C00Q 118.7(4) . . ?
C00L C00R C00S 120.6(4) . . ?
C00Q C00R C00S 120.6(4) . . ?
C00K C00S C00R 119.5(4) . . ?
C00O C00S C00K 117.6(4) . . ?
C00O C00S C00R 122.6(4) . . ?
C00V C00T C00X 120.0(4) . . ?
O004 C00U C00M 120.0(4) . . ?
O007 C00U O004 118.6(4) . . ?
O007 C00U C00M 121.4(4) . . ?
C00T C00V C010 119.9(4) . . ?
C00T C00V C013 119.0(4) . . ?
C013 C00V C010 121.0(4) . . ?
C012 C00W C00M 120.3(4) . . ?
C00G C00X C00T 121.9(4) . . ?
N009 C00Y N00B 112.4(4) . . ?
C00H C00Z C00Q 120.5(4) . . ?
O008 C010 C00V 119.4(4) . . ?
O00A C010 O008 119.6(5) . . ?
O00A C010 C00V 121.0(5) . . ?
C016 C011 N009 109.8(5) . . ?
C00W C012 C00P 121.6(4) . . ?
C014 C013 C00V 120.6(4) . . ?
C013 C014 C00G 121.2(5) . . ?
C018 C015 C017 118.9(5) . . ?
C019 C015 C017 123.8(5) . . ?
C019 C015 C018 117.3(5) . . ?
C011 C016 N00B 106.4(5) . . ?
N00B C017 C015 112.8(4) . . ?
C015 C018 C019 121.2(5) . 2_566 ?
C015 C019 C018 121.4(5) . 2_566 ?

_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 -0.042 0.500 0.000 692 135 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
