#------------------------------------------------------------------------------
#$Date: 2021-12-06 12:39:14 +0200 (Mon, 06 Dec 2021) $
#$Revision: 271132 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/55/1565561.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_1565561
loop_
_publ_author_name
'Zhu, Liwei'
'Liu, Ning'
'Jiang, Xiaohui'
'Yu, Liangmin'
'Li, Xia'
_publ_section_title
;
 Four novel 3D RE-MOFs based on maleic hydrazide: Syntheses, structural
 diversity, efficient electromagnetic wave absorption and antibacterial
 activity properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119291
_journal_paper_doi               10.1016/j.ica.2019.119291
_journal_volume                  501
_journal_year                    2020
_chemical_formula_moiety         'C24 H18 N12 O12 Yb2'
_chemical_formula_sum            'C24 H18 N12 O12 Yb2'
_chemical_formula_weight         1012.58
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_cell_angle_alpha                100.086(2)
_cell_angle_beta                 104.773(2)
_cell_angle_gamma                107.153(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4337(8)
_cell_length_b                   11.3682(9)
_cell_length_c                   16.2663(13)
_cell_measurement_reflns_used    5922
_cell_measurement_temperature    220
_cell_measurement_theta_max      26.96
_cell_measurement_theta_min      2.16
_cell_volume                     1715.9(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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)'
_diffrn_ambient_temperature      220.0
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.984
_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_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_number            6289
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_min         1.345
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.491
_exptl_absorpt_correction_T_max  0.020611
_exptl_absorpt_correction_T_min  0.003871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 25924 reflections, Rint = 0.0766
 (14270 with I > 3sig(I), Rint = 0.0694)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_platon_squeeze_details          TITL
_refine_diff_density_max         2.795
_refine_diff_density_min         -2.488
_refine_diff_density_rms         0.387
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0816
_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)+(0.1913P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2518
_refine_ls_wR_factor_ref         0.2672
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5035
_reflns_number_total             6289
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            complex3.cif
_cod_data_source_block           mo_20181113-a_0m_4_sq_s
_cod_database_code               1565561
_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.
;
_shelx_estimated_absorpt_t_max   0.438
_shelx_estimated_absorpt_t_min   0.272
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N00A(H00A), N00H(H00H), N00K(H00K), N00L(H00L), C00M(H00M), N00N(H00N),
 N00U(H00U), C00Y(H00Y), C012(H012), C013(H013), C014(H014), C015(H015),
 C017(H017), C018(H018), C019(H019), C01B(H01B), C01C(H01C), C01E(H01E)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Yb01 Yb 0.25869(6) 0.54087(5) 0.25894(3) 0.0337(3) Uani 1 1 d . . . . .
Yb02 Yb 1.01340(6) 0.78354(5) 0.75976(3) 0.0344(3) Uani 1 1 d . . . . .
O003 O 1.0966(9) 0.5933(10) 0.3197(5) 0.038(2) Uani 1 1 d . . . . .
O004 O 0.4056(10) 0.6577(8) 0.4020(5) 0.038(2) Uani 1 1 d . . . . .
O005 O 1.2546(10) 0.5192(9) 1.1111(5) 0.038(2) Uani 1 1 d . . . . .
O006 O 0.2908(13) 0.7340(10) 0.2444(7) 0.053(3) Uani 1 1 d . . . . .
O007 O 0.7963(10) 0.6246(8) 0.6750(5) 0.0359(19) Uani 1 1 d . . . . .
O008 O 1.1498(11) 0.9697(10) 0.8542(6) 0.047(2) Uani 1 1 d . . . . .
O009 O 0.7725(10) 0.2438(9) 0.1781(6) 0.045(2) Uani 1 1 d . . . . .
N00A N 0.0835(13) 0.9241(11) 0.2280(7) 0.043(3) Uani 1 1 d . . . . .
H00A H 0.0188 0.9328 0.1862 0.051 Uiso 1 1 calc R . . . .
O00B O 0.0704(11) 1.0893(9) 0.3218(6) 0.046(2) Uani 1 1 d . . . . .
O00C O 0.9598(10) 0.6163(9) 0.8263(5) 0.038(2) Uani 1 1 d . . . . .
N00D N 0.6971(11) 0.5897(10) 0.5283(6) 0.033(2) Uani 1 1 d . . . . .
O00E O 1.1513(11) 1.1736(9) 1.1759(6) 0.043(2) Uani 1 1 d . . . . .
N00F N 1.0725(13) 0.6749(12) 0.9727(7) 0.043(3) Uani 1 1 d . . . . .
O00G O 0.4493(11) 0.5009(11) 0.2599(6) 0.053(3) Uani 1 1 d . . . . .
N00H N 0.5949(12) 0.6008(11) 0.4601(6) 0.037(3) Uani 1 1 d . . . . .
H00H H 0.5914 0.5679 0.4067 0.044 Uiso 1 1 calc R . . . .
C00I C 0.6963(14) 0.3050(12) 0.1932(9) 0.036(3) Uani 1 1 d . . . . .
O00J O 1.0691(12) 0.7364(10) 0.6423(6) 0.050(3) Uani 1 1 d . . . . .
N00K N 1.1534(11) 0.6471(11) 1.0429(6) 0.032(2) Uani 1 1 d . . . . .
H00K H 1.1784 0.6998 1.0947 0.039 Uiso 1 1 calc R . . . .
N00L N 1.1061(12) 1.1604(11) 1.0284(7) 0.041(3) Uani 1 1 d . . . . .
H00L H 1.0604 1.2124 1.0342 0.049 Uiso 1 1 calc R . . . .
C00M C 1.1016(15) 0.5007(14) 0.8832(8) 0.041(3) Uani 1 1 d . . . . .
H00M H 1.0874 0.4533 0.8260 0.050 Uiso 1 1 calc R . . . .
N00N N 1.1431(11) 0.5902(10) 0.4651(7) 0.035(2) Uani 1 1 d . . . . .
H00N H 1.1902 0.5399 0.4570 0.042 Uiso 1 1 calc R . . . .
C00O C 0.2362(16) 0.8192(13) 0.2695(9) 0.040(3) Uani 1 1 d . . . . .
N00P N 0.1390(15) 0.8309(12) 0.2049(7) 0.045(3) Uani 1 1 d . . . . .
C00Q C 1.0477(15) 0.5982(13) 0.8964(8) 0.037(3) Uani 1 1 d . . . . .
C00R C 0.5005(13) 0.6570(12) 0.4677(7) 0.034(3) Uani 1 1 d . . . . .
C00S C 0.7044(13) 0.6443(12) 0.6065(8) 0.032(3) Uani 1 1 d . . . . .
N00T N 1.1050(13) 1.1124(12) 0.9448(7) 0.040(3) Uani 1 1 d . . . . .
N00U N 0.7203(13) 0.3776(13) 0.2746(7) 0.045(3) Uani 1 1 d . . . . .
H00U H 0.7962 0.3846 0.3158 0.054 Uiso 1 1 calc R . . . .
C00V C 1.0783(14) 0.6253(13) 0.3909(7) 0.034(3) Uani 1 1 d . . . . .
N00W N 0.6364(14) 0.4419(13) 0.2989(7) 0.048(3) Uani 1 1 d . . . . .
C00X C 0.5287(14) 0.4383(15) 0.2361(8) 0.038(3) Uani 1 1 d . . . . .
C00Y C 0.5158(16) 0.7202(13) 0.5569(9) 0.044(3) Uani 1 1 d . . . . .
H00Y H 0.4570 0.7657 0.5677 0.052 Uiso 1 1 calc R . . . .
C00Z C 0.1211(15) 1.0018(11) 0.3092(7) 0.035(3) Uani 1 1 d . . . . .
C010 C 1.1725(13) 1.1344(12) 1.1046(8) 0.031(3) Uani 1 1 d . . . . .
C011 C 1.1981(14) 0.5465(15) 1.0396(8) 0.041(3) Uani 1 1 d . . . . .
C012 C 0.9941(15) 0.7423(13) 0.4912(8) 0.039(3) Uani 1 1 d . . . . .
H012 H 0.9407 0.7933 0.5025 0.046 Uiso 1 1 calc R . . . .
C013 C 0.4954(15) 0.3703(13) 0.1452(9) 0.040(3) Uani 1 1 d . . . . .
H013 H 0.4171 0.3712 0.1015 0.049 Uiso 1 1 calc R . . . .
C014 C 1.1763(16) 0.4767(15) 0.9569(9) 0.046(3) Uani 1 1 d . . . . .
H014 H 1.2131 0.4108 0.9501 0.056 Uiso 1 1 calc R . . . .
C015 C 0.6158(14) 0.7123(12) 0.6236(7) 0.032(3) Uani 1 1 d . . . . .
H015 H 0.6275 0.7521 0.6821 0.039 Uiso 1 1 calc R . . . .
N016 N 1.1391(12) 0.6264(11) 0.5453(7) 0.038(2) Uani 1 1 d . . . . .
C017 C 0.5752(15) 0.3067(13) 0.1233(9) 0.042(3) Uani 1 1 d . . . . .
H017 H 0.5549 0.2634 0.0640 0.050 Uiso 1 1 calc R . . . .
C018 C 1.0013(13) 0.7078(13) 0.4100(8) 0.034(3) Uani 1 1 d . . . . .
H018 H 0.9559 0.7376 0.3649 0.041 Uiso 1 1 calc R . . . .
C019 C 1.2505(15) 1.0046(13) 1.0108(8) 0.038(3) Uani 1 1 d . . . . .
H019 H 1.3062 0.9544 1.0035 0.046 Uiso 1 1 calc R . . . .
C01A C 1.0682(16) 0.7011(13) 0.5609(8) 0.040(3) Uani 1 1 d . . . . .
C01B C 0.2805(16) 0.8909(14) 0.3577(9) 0.045(3) Uani 1 1 d . . . . .
H01B H 0.3462 0.8758 0.4022 0.054 Uiso 1 1 calc R . . . .
C01C C 1.2477(15) 1.0536(14) 1.0923(9) 0.042(3) Uani 1 1 d . . . . .
H01C H 1.2972 1.0327 1.1411 0.051 Uiso 1 1 calc R . . . .
C01D C 1.1698(14) 1.0295(13) 0.9378(9) 0.039(3) Uani 1 1 d . . . . .
C01E C 0.2259(15) 0.9825(13) 0.3769(9) 0.041(3) Uani 1 1 d . . . . .
H01E H 0.2569 1.0341 0.4351 0.049 Uiso 1 1 calc R . . . .
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'
Yb Yb -0.3850 5.5486 '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
O003 Yb01 Yb02 75.7(3) 1_455 2_666
O003 Yb01 O005 126.8(3) 1_455 1_454
O004 Yb01 Yb02 115.2(2) . 2_666
O004 Yb01 O003 79.0(3) . 1_455
O004 Yb01 O005 140.3(4) . 1_454
O004 Yb01 O00C 145.0(3) . 2_666
O005 Yb01 Yb02 101.5(2) 1_454 2_666
O006 Yb01 Yb02 146.0(3) . 2_666
O006 Yb01 O003 78.7(4) . 1_455
O006 Yb01 O004 80.8(3) . .
O006 Yb01 O005 76.8(3) . 1_454
O006 Yb01 O007 155.8(3) . 2_666
O006 Yb01 O00C 116.4(4) . 2_666
O007 Yb01 Yb02 34.4(2) 2_666 2_666
O007 Yb01 O003 80.5(3) 2_666 1_455
O007 Yb01 O004 83.3(3) 2_666 .
O007 Yb01 O005 126.3(3) 2_666 1_454
O007 Yb01 O00C 69.3(3) 2_666 2_666
O00C Yb01 Yb02 34.92(19) 2_666 2_666
O00C Yb01 O003 75.5(3) 2_666 1_455
O00C Yb01 O005 74.6(3) 2_666 1_454
O00G Yb01 Yb02 104.2(3) . 2_666
O00G Yb01 O003 156.1(3) . 1_455
O00G Yb01 O004 79.7(3) . .
O00G Yb01 O005 76.9(3) . 1_454
O00G Yb01 O006 108.3(4) . .
O00G Yb01 O007 86.6(4) . 2_666
O00G Yb01 O00C 118.4(4) . 2_666
O007 Yb02 Yb01 34.4(2) . 2_666
O007 Yb02 O009 127.2(3) . 2_766
O007 Yb02 O00B 84.2(3) . 2_676
O007 Yb02 O00C 69.0(3) . .
O007 Yb02 O00E 74.9(3) . 2_777
O008 Yb02 Yb01 142.2(3) . 2_666
O008 Yb02 O007 154.3(3) . .
O008 Yb02 O009 75.6(3) . 2_766
O008 Yb02 O00B 82.8(4) . 2_676
O008 Yb02 O00C 113.7(3) . .
O008 Yb02 O00E 80.7(3) . 2_777
O009 Yb02 Yb01 101.5(3) 2_766 2_666
O009 Yb02 O00C 73.5(3) 2_766 .
O009 Yb02 O00E 130.8(3) 2_766 2_777
O00B Yb02 Yb01 116.5(3) 2_676 2_666
O00B Yb02 O009 139.0(4) 2_676 2_766
O00B Yb02 O00C 147.5(4) 2_676 .
O00B Yb02 O00E 77.6(3) 2_676 2_777
O00C Yb02 Yb01 34.7(2) . 2_666
O00C Yb02 O00E 77.8(3) . 2_777
O00E Yb02 Yb01 73.1(2) 2_777 2_666
O00J Yb02 Yb01 100.5(3) . 2_666
O00J Yb02 O007 83.1(4) . .
O00J Yb02 O008 115.7(4) . .
O00J Yb02 O009 80.1(3) . 2_766
O00J Yb02 O00B 78.6(3) . 2_676
O00J Yb02 O00C 114.5(4) . .
O00J Yb02 O00E 148.9(4) . 2_777
C00V O003 Yb01 142.1(8) . 1_655
C00R O004 Yb01 143.4(8) . .
C011 O005 Yb01 142.0(8) . 1_656
C00O O006 Yb01 132.0(9) . .
Yb01 O007 Yb02 111.2(3) 2_666 .
C00S O007 Yb01 125.9(8) . 2_666
C00S O007 Yb02 121.4(8) . .
C01D O008 Yb02 136.6(9) . .
C00I O009 Yb02 143.0(9) . 2_766
C00Z N00A N00P 125.6(10) . .
C00Z O00B Yb02 136.8(7) . 2_676
Yb01 O00C Yb02 110.4(3) 2_666 .
C00Q O00C Yb01 121.7(8) . 2_666
C00Q O00C Yb02 127.1(9) . .
C00S N00D N00H 115.4(10) . .
C010 O00E Yb02 145.7(8) . 2_777
C00Q N00F N00K 113.6(11) . .
C00X O00G Yb01 157.9(10) . .
C00R N00H N00D 126.7(10) . .
O009 C00I N00U 122.3(11) . .
O009 C00I C017 122.6(12) . .
N00U C00I C017 115.0(11) . .
C01A O00J Yb02 165.2(10) . .
C011 N00K N00F 126.9(11) . .
N00T N00L C010 126.6(10) . .
C014 C00M C00Q 117.3(12) . .
N016 N00N C00V 125.9(10) . .
O006 C00O C01B 121.8(12) . .
N00P C00O O006 114.2(11) . .
N00P C00O C01B 124.0(12) . .
C00O N00P N00A 115.9(10) . .
O00C C00Q C00M 119.6(10) . .
N00F C00Q O00C 115.4(11) . .
N00F C00Q C00M 125.0(11) . .
O004 C00R N00H 122.9(10) . .
O004 C00R C00Y 121.4(12) . .
N00H C00R C00Y 115.7(11) . .
O007 C00S C015 120.2(10) . .
N00D C00S O007 116.1(10) . .
N00D C00S C015 123.5(10) . .
C01D N00T N00L 115.1(11) . .
C00I N00U N00W 126.5(10) . .
O003 C00V N00N 120.9(11) . .
O003 C00V C018 125.6(11) . .
N00N C00V C018 113.3(10) . .
C00X N00W N00U 116.6(10) . .
O00G C00X C013 121.2(11) . .
N00W C00X O00G 116.2(11) . .
N00W C00X C013 122.6(11) . .
C015 C00Y C00R 118.2(12) . .
N00A C00Z C01E 115.5(10) . .
O00B C00Z N00A 120.4(10) . .
O00B C00Z C01E 124.0(11) . .
O00E C010 N00L 119.8(10) . .
O00E C010 C01C 125.4(12) . .
N00L C010 C01C 114.5(10) . .
O005 C011 N00K 121.2(11) . .
O005 C011 C014 123.6(12) . .
N00K C011 C014 115.2(11) . .
C018 C012 C01A 119.5(12) . .
C017 C013 C00X 120.1(12) . .
C011 C014 C00M 121.3(13) . .
C00Y C015 C00S 120.4(11) . .
N00N N016 C01A 119.5(10) . .
C013 C017 C00I 119.0(12) . .
C012 C018 C00V 120.9(11) . .
C01C C019 C01D 119.2(12) . .
O00J C01A C012 121.9(11) . .
O00J C01A N016 117.3(12) . .
N016 C01A C012 120.8(11) . .
C01E C01B C00O 118.0(13) . .
C019 C01C C010 121.0(13) . .
O008 C01D C019 122.8(11) . .
N00T C01D O008 114.1(11) . .
N00T C01D C019 123.1(12) . .
C01B C01E C00Z 120.8(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb01 Yb02 3.8398(9) 2_666
Yb01 O003 2.332(8) 1_455
Yb01 O004 2.329(8) .
Yb01 O005 2.362(8) 1_454
Yb01 O006 2.186(10) .
Yb01 O007 2.325(8) 2_666
Yb01 O00C 2.331(10) 2_666
Yb01 O00G 2.163(9) .
Yb02 Yb01 3.8398(9) 2_666
Yb02 O007 2.328(9) .
Yb02 O008 2.198(9) .
Yb02 O009 2.340(9) 2_766
Yb02 O00B 2.333(9) 2_676
Yb02 O00C 2.345(9) .
Yb02 O00E 2.349(9) 2_777
Yb02 O00J 2.160(8) .
O003 Yb01 2.332(8) 1_655
O003 C00V 1.231(13) .
O004 C00R 1.262(14) .
O005 Yb01 2.362(8) 1_656
O005 C011 1.297(14) .
O006 C00O 1.317(14) .
O007 Yb01 2.325(8) 2_666
O007 C00S 1.371(14) .
O008 C01D 1.344(15) .
O009 Yb02 2.340(9) 2_766
O009 C00I 1.242(13) .
N00A N00P 1.390(13) .
N00A C00Z 1.343(15) .
O00B Yb02 2.333(9) 2_676
O00B C00Z 1.267(13) .
O00C Yb01 2.331(10) 2_666
O00C C00Q 1.358(14) .
N00D N00H 1.382(14) .
N00D C00S 1.287(15) .
O00E Yb02 2.349(9) 2_777
O00E C010 1.265(13) .
N00F N00K 1.382(15) .
N00F C00Q 1.301(15) .
O00G C00X 1.326(14) .
N00H C00R 1.342(16) .
C00I N00U 1.350(16) .
C00I C017 1.477(18) .
O00J C01A 1.312(15) .
N00K C011 1.354(16) .
N00L N00T 1.370(14) .
N00L C010 1.383(16) .
C00M C00Q 1.391(17) .
C00M C014 1.372(18) .
N00N C00V 1.410(16) .
N00N N016 1.312(14) .
C00O N00P 1.317(17) .
C00O C01B 1.403(18) .
C00R C00Y 1.448(16) .
C00S C015 1.416(15) .
N00T C01D 1.317(15) .
N00U N00W 1.382(13) .
C00V C018 1.445(16) .
N00W C00X 1.296(16) .
C00X C013 1.444(18) .
C00Y C015 1.336(18) .
C00Z C01E 1.438(17) .
C010 C01C 1.394(16) .
C011 C014 1.362(18) .
C012 C018 1.339(17) .
C012 C01A 1.433(18) .
C013 C017 1.326(17) .
N016 C01A 1.313(15) .
C019 C01C 1.356(17) .
C019 C01D 1.395(18) .
C01B C01E 1.353(17) .
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 0.007 0.007 0.507 422 229 ' '
