#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:23:44 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237452 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/71/7237149.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7237149
loop_
_publ_author_name
'Liu, Xinyao'
'Liu, Bing'
'Li, Guanghua'
'Liu, Yunling'
_publ_section_title
;
 Two anthracene-based metal--organic frameworks for highly effective
 photodegradation and luminescent detection in water
;
_journal_issue                   35
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              17177
_journal_paper_doi               10.1039/C8TA03807D
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety         'C217 H237 Eu6 N19 O53'
_chemical_formula_sum            'C217 H237 Eu6 N19 O53'
_chemical_formula_weight         4871.51
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m -3 m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-04-24 deposited with the CCDC.
2018-08-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            220
_cell_length_a                   33.816(4)
_cell_length_b                   33.816(4)
_cell_length_c                   33.816(4)
_cell_measurement_reflns_used    1759
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.06
_cell_measurement_theta_min      1.04
_cell_volume                     38669(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0117
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            63145
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.04
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    17.596
_exptl_absorpt_correction_T_max  0.7518
_exptl_absorpt_correction_T_min  0.7357
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.684
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             37400
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.356
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       0.000000(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     53
_refine_ls_number_reflns         1759
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.177
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0909P)²+642.6952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1576
_refine_ls_wR_factor_ref         0.1623
_reflns_number_gt                1587
_reflns_number_total             1759
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ta03807d2.cif
_cod_data_source_block           aaa_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        38670(8)
_cod_original_sg_symbol_H-M      Fm-3m
_cod_database_code               7237149
_platon_squeeze_void_probe_radius 1.20
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.417322(16) 0.5000 0.5000 0.0206(3) Uani 1 8 d S
O1 O 0.46206(9) 0.53794(9) 0.53794(9) 0.0075(12) Uani 1 6 d S
O2 O 0.38872(15) 0.5000 0.56419(15) 0.0460(12) Uani 1 2 d S
O3 O 0.3318(16) 0.5000 0.5000 0.32(2) Uani 1 8 d S
C1 C 0.2778(6) 0.5000 0.7222(6) 0.1685(9) Uani 1 4 d SDU
C2 C 0.2598(7) 0.5378(5) 0.7271(7) 0.1685(9) Uani 0.50 1 d PDU
C3 C 0.3116(4) 0.5000 0.6884(4) 0.1011(17) Uani 1 4 d SU
C4 C 0.3001(5) 0.5000 0.6486(5) 0.119(5) Uani 1 2 d SU
H4 H 0.2737 0.5000 0.6411 0.142 Uiso 1 2 calc SR
C5 C 0.3308(4) 0.5000 0.6210(4) 0.092(3) Uani 1 2 d SU
H5 H 0.3242 0.5000 0.5943 0.110 Uiso 1 2 calc SR
C6 C 0.3694(2) 0.5000 0.6306(2) 0.060(3) Uani 1 4 d S
C7 C 0.4006(2) 0.5000 0.5994(2) 0.043(2) Uani 1 4 d S
C8 C 0.2801(4) 0.5748(6) 0.7199(4) 0.1685(9) Uani 1 2 d SDU
C9 C 0.2813(6) 0.6057(6) 0.7484(7) 0.1685(9) Uani 0.50 1 d PDU
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Eu1 O1 65.80(14) . 99_565
O1 Eu1 O1 65.80(14) . 98_556
O1 Eu1 O1 100.4(3) 99_565 98_556
O1 Eu1 O1 100.4(3) . 4_566
O1 Eu1 O1 65.80(14) 99_565 4_566
O1 Eu1 O1 65.80(14) 98_556 4_566
O1 Eu1 O2 139.18(8) . 114_566
O1 Eu1 O2 76.38(14) 99_565 114_566
O1 Eu1 O2 139.18(8) 98_556 114_566
O1 Eu1 O2 76.38(14) 4_566 114_566
O1 Eu1 O2 139.18(8) . 98_556
O1 Eu1 O2 139.18(8) 99_565 98_556
O1 Eu1 O2 76.38(14) 98_556 98_556
O1 Eu1 O2 76.38(14) 4_566 98_556
O2 Eu1 O2 80.46(10) 114_566 98_556
O1 Eu1 O2 76.38(14) . 17_556
O1 Eu1 O2 139.18(8) 99_565 17_556
O1 Eu1 O2 76.38(14) 98_556 17_556
O1 Eu1 O2 139.18(8) 4_566 17_556
O2 Eu1 O2 132.0(3) 114_566 17_556
O2 Eu1 O2 80.46(10) 98_556 17_556
O1 Eu1 O2 76.38(14) . .
O1 Eu1 O2 76.38(14) 99_565 .
O1 Eu1 O2 139.18(8) 98_556 .
O1 Eu1 O2 139.18(8) 4_566 .
O2 Eu1 O2 80.46(10) 114_566 .
O2 Eu1 O2 132.0(3) 98_556 .
O2 Eu1 O2 80.46(10) 17_556 .
O1 Eu1 O3 129.81(13) . .
O1 Eu1 O3 129.81(13) 99_565 .
O1 Eu1 O3 129.81(13) 98_556 .
O1 Eu1 O3 129.81(13) 4_566 .
O2 Eu1 O3 65.98(13) 114_566 .
O2 Eu1 O3 65.98(13) 98_556 .
O2 Eu1 O3 65.98(13) 17_556 .
O2 Eu1 O3 65.98(13) . .
O1 Eu1 Eu1 33.19(5) . 101_666
O1 Eu1 Eu1 86.06(11) 99_565 101_666
O1 Eu1 Eu1 33.19(5) 98_556 101_666
O1 Eu1 Eu1 86.06(11) 4_566 101_666
O2 Eu1 Eu1 159.02(13) 114_566 101_666
O2 Eu1 Eu1 106.73(9) 98_556 101_666
O2 Eu1 Eu1 69.02(13) 17_556 101_666
O2 Eu1 Eu1 106.73(9) . 101_666
O3 Eu1 Eu1 135.000(2) . 101_666
O1 Eu1 Eu1 33.19(5) . 105_666
O1 Eu1 Eu1 33.19(5) 99_565 105_666
O1 Eu1 Eu1 86.06(11) 98_556 105_666
O1 Eu1 Eu1 86.06(11) 4_566 105_666
O2 Eu1 Eu1 106.73(9) 114_566 105_666
O2 Eu1 Eu1 159.02(13) 98_556 105_666
O2 Eu1 Eu1 106.73(9) 17_556 105_666
O2 Eu1 Eu1 69.02(13) . 105_666
O3 Eu1 Eu1 135.0 . 105_666
Eu1 Eu1 Eu1 60.0 101_666 105_666
O1 Eu1 Eu1 86.06(11) . 5
O1 Eu1 Eu1 33.19(5) 99_565 5
O1 Eu1 Eu1 86.06(11) 98_556 5
O1 Eu1 Eu1 33.19(5) 4_566 5
O2 Eu1 Eu1 69.02(13) 114_566 5
O2 Eu1 Eu1 106.73(9) 98_556 5
O2 Eu1 Eu1 159.02(13) 17_556 5
O2 Eu1 Eu1 106.73(9) . 5
O3 Eu1 Eu1 135.000(2) . 5
Eu1 Eu1 Eu1 90.0 101_666 5
Eu1 Eu1 Eu1 60.0 105_666 5
Eu1 O1 Eu1 113.61(10) . 105_666
Eu1 O1 Eu1 113.61(10) . 101_666
Eu1 O1 Eu1 113.61(10) 105_666 101_666
C7 O2 Eu1 137.4(5) . .
C2 C1 C2 135(3) 99_565 118_656
C2 C1 C2 25(2) 99_565 24_666
C2 C1 C2 127(3) 118_656 24_666
C2 C1 C2 127(3) 99_565 .
C2 C1 C2 25(2) 118_656 .
C2 C1 C2 135(3) 24_666 .
C2 C1 C3 112.6(16) 99_565 .
C2 C1 C3 112.6(16) 118_656 .
C2 C1 C3 112.6(16) 24_666 .
C2 C1 C3 112.6(16) . .
C2 C2 C1 77.4(12) 118_656 .
C2 C2 C8 77.6(12) 118_656 .
C1 C2 C8 123(2) . .
C2 C2 C2 90.000(10) 118_656 168_455
C1 C2 C2 112.6(16) . 168_455
C8 C2 C2 117.1(11) . 168_455
C2 C2 C2 68.2(19) 118_656 51_556
C1 C2 C2 106.0(19) . 51_556
C8 C2 C2 110.1(14) . 51_556
C2 C2 C2 21.8(19) 168_455 51_556
C4 C3 C4 122(2) . 118_656
C4 C3 C1 118.9(10) . .
C4 C3 C1 118.9(10) 118_656 .
C5 C4 C3 115.9(16) . .
C5 C4 H4 122.0 . .
C3 C4 H4 122.0 . .
C6 C5 C4 124.0(13) . .
C6 C5 H5 118.0 . .
C4 C5 H5 118.0 . .
C5 C6 C5 118.0(14) . 118_656
C5 C6 C7 121.0(7) . .
C5 C6 C7 121.0(7) 118_656 .
O2 C7 O2 127.2(9) . 118_656
O2 C7 C6 116.4(4) . .
O2 C7 C6 116.4(4) 118_656 .
C9 C8 C9 60(2) . 118_656
C9 C8 C2 108.4(17) . 118_656
C9 C8 C2 122.1(17) 118_656 118_656
C9 C8 C2 122.1(17) . .
C9 C8 C2 108.4(17) 118_656 .
C2 C8 C2 25(2) 118_656 .
C9 C9 C8 60.0(11) 118_656 .
C9 C9 C9 90.000(11) 118_656 168_455
C8 C9 C9 117.5(12) . 168_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.3625(15) .
Eu1 O1 2.3625(14) 99_565
Eu1 O1 2.3625(15) 98_556
Eu1 O1 2.3625(15) 4_566
Eu1 O2 2.377(5) 114_566
Eu1 O2 2.377(5) 98_556
Eu1 O2 2.377(5) 17_556
Eu1 O2 2.377(5) .
Eu1 O3 2.89(5) .
Eu1 Eu1 3.9539(9) 101_666
Eu1 Eu1 3.9539(9) 105_666
Eu1 Eu1 3.9539(9) 5
O1 Eu1 2.3625(14) 105_666
O1 Eu1 2.3625(14) 101_666
O2 C7 1.257(7) .
C1 C2 1.425(15) 99_565
C1 C2 1.425(15) 118_656
C1 C2 1.425(15) 24_666
C1 C2 1.425(15) .
C1 C3 1.62(3) .
C2 C2 0.62(6) 118_656
C2 C8 1.449(16) .
C2 C2 1.56(4) 168_455
C2 C2 1.68(4) 51_556
C3 C4 1.399(16) .
C3 C4 1.399(16) 118_656
C4 C5 1.399(18) .
C4 H4 0.9300 .
C5 C6 1.345(13) .
C5 H5 0.9300 .
C6 C5 1.345(13) 118_656
C6 C7 1.490(14) .
C7 O2 1.257(7) 118_656
C8 C9 1.424(15) .
C8 C9 1.424(15) 118_656
C8 C2 1.449(16) 118_656
C9 C9 1.42(5) 118_656
C9 C9 1.57(4) 168_455
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 -0.003 -0.007 -0.004 28316 8076 ' '
