#------------------------------------------------------------------------------
#$Date: 2019-11-23 20:51:00 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234935 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/96/4349640.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_4349640
loop_
_publ_author_name
'Chu, Xiaoxiao'
'Xu, Xin'
'Su, Hao'
'Raje, Sakthi'
'Angamuthu, Raja'
'Tung, Chen-Ho'
'Wang, Wenguang'
_publ_section_title
;
 Heteronuclear assembly of Ni--Cu dithiolato complexes: synthesis,
 structures, and reactivity studies
;
_journal_issue                   4
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              706
_journal_paper_doi               10.1039/C6QI00536E
_journal_volume                  4
_journal_year                    2017
_chemical_formula_moiety         'C58 H60 Ag2 Ni2 P4 S4, 2(B F4)'
_chemical_formula_sum            'C58 H60 Ag2 B2 F8 Ni2 P4 S4'
_chemical_formula_weight         1515.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-06-29
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-11-26 deposited with the CCDC.
2017-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.577(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   33.906(2)
_cell_length_b                   11.5072(6)
_cell_length_c                   19.2841(10)
_cell_measurement_reflns_used    7993
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.613
_cell_measurement_theta_min      2.542
_cell_volume                     6728.9(7)
_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
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0.0780
_diffrn_reflns_av_unetI/netI     0.0671
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28546
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         2.539
_exptl_absorpt_coefficient_mu    1.400
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       solid
_exptl_crystal_F_000             3056
_refine_diff_density_max         1.192
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5919
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0613
_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)+102.1220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1346
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4131
_reflns_number_total             5919
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6qi00536e2.cif
_cod_data_source_block           p
_cod_original_cell_volume        6728.8(7)
_cod_database_code               4349640
_shelxl_version_number           2013-4
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
F0AA \\sim F1 \\sim F2 \\sim F4 \\sim F6 \\sim F7 \\sim F9 \\sim B5: within
1.7A with sigma of 0.002 and sigma for terminal atoms of 0.08
C58: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
3. Others
 Fixed Sof: F0AA(0.5) F2(0.5) F4(0.5) F6(0.5) F7(0.5) F9(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C27(H27A,H27B), C29(H29A,H29B), C58(H58A,H58B)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
Ag1 Ag 0.22862(2) 0.25073(5) 0.05516(3) 0.03750(17) Uani 1 1 d . . . . .
Ni1 Ni 0.32734(3) 0.33889(7) 0.11457(4) 0.0281(2) Uani 1 1 d . . . . .
S1 S 0.31844(6) 0.41279(16) 0.00376(9) 0.0349(4) Uani 1 1 d . . . . .
S2 S 0.27067(6) 0.41646(17) 0.12323(11) 0.0413(4) Uani 1 1 d . . . . .
P1 P 0.34429(5) 0.25346(16) 0.22558(9) 0.0299(4) Uani 1 1 d . . . . .
P2 P 0.38771(5) 0.26070(16) 0.12097(8) 0.0284(4) Uani 1 1 d . . . . .
C1 C 0.3804(2) 0.4613(6) 0.2997(4) 0.0329(16) Uani 1 1 d . . . . .
H1 H 0.3688 0.4930 0.2501 0.039 Uiso 1 1 calc R . . . .
C2 C 0.4019(2) 0.5335(7) 0.3639(4) 0.0399(17) Uani 1 1 d . . . . .
H2 H 0.4044 0.6128 0.3574 0.048 Uiso 1 1 calc R . . . .
C3 C 0.4193(3) 0.4860(8) 0.4364(4) 0.062(2) Uani 1 1 d . . . . .
H3 H 0.4332 0.5337 0.4796 0.074 Uiso 1 1 calc R . . . .
C4 C 0.4166(4) 0.3691(9) 0.4462(4) 0.082(3) Uani 1 1 d . . . . .
H4 H 0.4293 0.3372 0.4958 0.098 Uiso 1 1 calc R . . . .
C5 C 0.3950(3) 0.2987(8) 0.3827(4) 0.067(3) Uani 1 1 d . . . . .
H5 H 0.3931 0.2192 0.3896 0.080 Uiso 1 1 calc R . . . .
C6 C 0.3760(2) 0.3451(6) 0.3083(4) 0.0361(16) Uani 1 1 d . . . . .
C7 C 0.2843(4) 0.2719(9) 0.2845(7) 0.098(4) Uani 1 1 d . . . . .
H7 H 0.3007 0.3359 0.3114 0.118 Uiso 1 1 calc R . . . .
C8 C 0.2990(2) 0.2032(6) 0.2435(4) 0.0355(16) Uani 1 1 d . . . . .
C9 C 0.2756(3) 0.1042(7) 0.2093(4) 0.052(2) Uani 1 1 d . . . . .
H9 H 0.2859 0.0526 0.1840 0.063 Uiso 1 1 calc R . . . .
C10 C 0.2365(3) 0.0826(9) 0.2129(5) 0.069(3) Uani 1 1 d . . . . .
H10 H 0.2202 0.0172 0.1879 0.083 Uiso 1 1 calc R . . . .
C11 C 0.2213(3) 0.1517(8) 0.2506(4) 0.052(2) Uani 1 1 d . . . . .
H11 H 0.1949 0.1346 0.2523 0.062 Uiso 1 1 calc R . . . .
C12 C 0.2445(4) 0.2465(9) 0.2863(7) 0.094(4) Uani 1 1 d . . . . .
H12 H 0.2340 0.2958 0.3125 0.113 Uiso 1 1 calc R . . . .
C13 C 0.3793(2) 0.1282(6) 0.2344(4) 0.0378(17) Uani 1 1 d . . . . .
H13A H 0.3936 0.1007 0.2875 0.045 Uiso 1 1 calc R . . . .
H13B H 0.3621 0.0653 0.2013 0.045 Uiso 1 1 calc R . . . .
C14 C 0.4136(2) 0.1707(6) 0.2091(4) 0.0370(16) Uani 1 1 d . . . . .
H14A H 0.4280 0.1044 0.1991 0.044 Uiso 1 1 calc R . . . .
H14B H 0.4359 0.2159 0.2506 0.044 Uiso 1 1 calc R . . . .
C15 C 0.4233(2) 0.4831(6) 0.1401(3) 0.0389(17) Uani 1 1 d . . . . .
H15 H 0.3972 0.5086 0.1398 0.047 Uiso 1 1 calc R . . . .
C16 C 0.4564(3) 0.5611(7) 0.1509(4) 0.049(2) Uani 1 1 d . . . . .
H16 H 0.4525 0.6393 0.1582 0.058 Uiso 1 1 calc R . . . .
C17 C 0.4947(3) 0.5255(9) 0.1511(4) 0.058(2) Uani 1 1 d . . . . .
H17 H 0.5165 0.5792 0.1573 0.069 Uiso 1 1 calc R . . . .
C18 C 0.5009(2) 0.4083(9) 0.1420(5) 0.058(2) Uani 1 1 d . . . . .
H18 H 0.5274 0.3836 0.1435 0.070 Uiso 1 1 calc R . . . .
C19 C 0.4687(2) 0.3289(7) 0.1308(4) 0.0457(19) Uani 1 1 d . . . . .
H19 H 0.4730 0.2507 0.1239 0.055 Uiso 1 1 calc R . . . .
C20 C 0.4292(2) 0.3662(6) 0.1298(3) 0.0321(16) Uani 1 1 d . . . . .
C21 C 0.3802(2) 0.1671(6) 0.0404(3) 0.0335(15) Uani 1 1 d . . . . .
C22 C 0.3790(3) 0.2137(7) -0.0270(4) 0.047(2) Uani 1 1 d . . . . .
H22 H 0.3846 0.2923 -0.0295 0.056 Uiso 1 1 calc R . . . .
C23 C 0.3692(3) 0.1419(8) -0.0908(4) 0.058(2) Uani 1 1 d . . . . .
H23 H 0.3675 0.1730 -0.1365 0.069 Uiso 1 1 calc R . . . .
C24 C 0.3622(3) 0.0262(8) -0.0862(5) 0.060(2) Uani 1 1 d . . . . .
H24 H 0.3554 -0.0206 -0.1294 0.072 Uiso 1 1 calc R . . . .
C25 C 0.3650(3) -0.0228(7) -0.0191(5) 0.058(2) Uani 1 1 d . . . . .
H25 H 0.3609 -0.1023 -0.0164 0.070 Uiso 1 1 calc R . . . .
C26 C 0.3739(2) 0.0479(7) 0.0445(4) 0.0444(19) Uani 1 1 d . . . . .
H26 H 0.3757 0.0158 0.0900 0.053 Uiso 1 1 calc R . . . .
C27 C 0.2864(3) 0.5460(7) -0.0229(5) 0.056(2) Uani 1 1 d . . . . .
H27A H 0.3047 0.6089 0.0087 0.067 Uiso 1 1 calc R . . A .
H27B H 0.2788 0.5638 -0.0765 0.067 Uiso 1 1 calc R . . A .
C29 C 0.2491(3) 0.5440(8) 0.0645(6) 0.071(3) Uani 1 1 d . . . . .
H29A H 0.2209 0.5619 0.0636 0.086 Uiso 1 1 calc R . . B .
H29B H 0.2688 0.6081 0.0902 0.086 Uiso 1 1 calc R . . B .
C58 C 0.2428(4) 0.5409(10) -0.0129(7) 0.095(4) Uani 1 1 d . U . C 2
H58A H 0.2242 0.6060 -0.0406 0.113 Uiso 1 1 calc R . . C 2
H58B H 0.2270 0.4702 -0.0370 0.113 Uiso 1 1 calc R . . C 2
F0AA F 0.3948(7) 0.8165(14) 0.1475(11) 0.129(2) Uani 0.5 1 d . U P . .
F1 F 0.3400(3) 0.8626(6) 0.1785(6) 0.150(3) Uani 1 1 d . U . . .
F2 F 0.3496(6) 0.6757(13) 0.1583(10) 0.130(2) Uani 0.5 1 d . U P . .
F4 F 0.3632(7) 0.7674(13) 0.1058(10) 0.130(2) Uani 0.5 1 d . U P . .
F6 F 0.3770(7) 0.6931(14) 0.2171(10) 0.131(2) Uani 0.5 1 d . U P . .
F7 F 0.3996(6) 0.7709(13) 0.2589(10) 0.132(2) Uani 0.5 1 d . U P . .
F9 F 0.4077(6) 0.8600(13) 0.2029(10) 0.131(2) Uani 0.5 1 d . U P . .
B5 B 0.3682(8) 0.7880(17) 0.1791(12) 0.130(2) Uani 1 1 d . U . . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
Ag1 Ag1 Ni1 61.73(2) 7 7
Ag1 Ag1 Ni1 60.21(2) 7 .
Ni1 Ag1 Ni1 121.94(2) 7 .
S1 Ag1 Ag1 95.04(5) 7 7
S1 Ag1 Ni1 44.24(4) 7 7
S1 Ag1 Ni1 142.24(5) 7 .
S2 Ag1 Ag1 91.97(5) . 7
S2 Ag1 Ni1 140.31(5) . 7
S2 Ag1 Ni1 43.52(5) . .
S2 Ag1 S1 172.93(7) . 7
Ag1 Ni1 Ag1 58.06(2) 7 .
S1 Ni1 Ag1 96.25(5) . .
S1 Ni1 Ag1 49.79(5) . 7
S1 Ni1 S2 99.98(7) . .
S2 Ni1 Ag1 48.71(5) . .
S2 Ni1 Ag1 94.12(5) . 7
P1 Ni1 Ag1 130.23(6) . 7
P1 Ni1 Ag1 89.00(5) . .
P1 Ni1 S1 172.09(8) . .
P1 Ni1 S2 87.94(7) . .
P1 Ni1 P2 86.00(7) . .
P2 Ni1 Ag1 134.13(6) . .
P2 Ni1 Ag1 92.15(5) . 7
P2 Ni1 S1 86.09(7) . .
P2 Ni1 S2 173.20(7) . .
Ni1 S1 Ag1 85.97(6) . 7
C27 S1 Ag1 110.0(3) . 7
C27 S1 Ni1 114.1(3) . .
Ni1 S2 Ag1 87.77(7) . .
C29 S2 Ag1 109.3(3) . .
C29 S2 Ni1 114.1(3) . .
C6 P1 Ni1 113.2(2) . .
C6 P1 C8 103.7(3) . .
C6 P1 C13 105.8(3) . .
C8 P1 Ni1 117.2(2) . .
C8 P1 C13 107.6(3) . .
C13 P1 Ni1 108.7(2) . .
C14 P2 Ni1 109.3(2) . .
C20 P2 Ni1 113.5(2) . .
C20 P2 C14 105.1(3) . .
C20 P2 C21 106.5(3) . .
C21 P2 Ni1 115.3(2) . .
C21 P2 C14 106.4(3) . .
C6 C1 C2 121.1(6) . .
C3 C2 C1 119.1(7) . .
C2 C3 C4 120.6(7) . .
C3 C4 C5 119.9(8) . .
C4 C5 C6 120.6(8) . .
C1 C6 P1 121.1(5) . .
C1 C6 C5 118.5(6) . .
C5 C6 P1 120.3(6) . .
C8 C7 C12 120.3(9) . .
C7 C8 P1 119.3(6) . .
C7 C8 C9 118.3(7) . .
C9 C8 P1 121.9(6) . .
C8 C9 C10 119.1(8) . .
C11 C10 C9 122.5(8) . .
C10 C11 C12 118.9(8) . .
C11 C12 C7 120.7(9) . .
C14 C13 P1 105.9(5) . .
C13 C14 P2 110.9(4) . .
C16 C15 C20 119.5(7) . .
C17 C16 C15 121.1(8) . .
C16 C17 C18 119.5(8) . .
C19 C18 C17 120.9(8) . .
C18 C19 C20 119.3(8) . .
C15 C20 P2 120.5(5) . .
C15 C20 C19 119.7(7) . .
C19 C20 P2 119.7(6) . .
C22 C21 P2 120.5(6) . .
C22 C21 C26 119.4(6) . .
C26 C21 P2 120.1(5) . .
C21 C22 C23 119.5(8) . .
C24 C23 C22 120.1(8) . .
C23 C24 C25 121.4(7) . .
C24 C25 C26 119.1(8) . .
C25 C26 C21 120.3(7) . .
C58 C27 S1 114.2(6) . .
C58 C29 S2 118.2(7) . .
C29 C58 C27 114.9(9) . .
F4 F0AA B5 66.0(15) . .
F9 F0AA F4 139(2) . .
F9 F0AA B5 73.7(16) . .
F6 F2 F4 99.9(16) . .
F6 F2 B5 59.0(14) . .
B5 F2 F4 51.9(11) . .
F0AA F4 F2 108.1(16) . .
F0AA F4 B5 63.3(14) . .
B5 F4 F2 54.6(11) . .
F2 F6 F7 143(2) . .
F2 F6 B5 72.2(16) . .
F7 F6 B5 70.6(15) . .
F6 F7 F9 105.8(15) . .
F6 F7 B5 56.5(12) . .
B5 F7 F9 57.3(11) . .
F0AA F9 F7 104.8(16) . .
F0AA F9 B5 61.2(15) . .
B5 F9 F7 55.9(11) . .
F0AA B5 F2 113.6(18) . .
F0AA B5 F4 50.8(12) . .
F0AA B5 F7 101(2) . .
F0AA B5 F9 45.1(11) . .
F1 B5 F0AA 119.0(17) . .
F1 B5 F2 112(2) . .
F1 B5 F4 111.2(19) . .
F1 B5 F7 107.1(17) . .
F1 B5 F9 101.3(15) . .
F2 B5 F7 101.6(15) . .
F2 B5 F9 147(2) . .
F4 B5 F2 73.4(14) . .
F4 B5 F7 140(2) . .
F4 B5 F9 95.4(16) . .
F6 B5 F0AA 116(2) . .
F6 B5 F1 124(2) . .
F6 B5 F2 48.8(11) . .
F6 B5 F4 109.6(18) . .
F6 B5 F7 52.9(12) . .
F6 B5 F9 111(2) . .
F7 B5 F9 66.8(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag1 3.0642(10) 7
Ag1 Ni1 3.1337(9) 7
Ag1 Ni1 3.1803(10) .
Ag1 S1 2.3989(18) 7
Ag1 S2 2.3913(19) .
Ni1 Ag1 3.1337(9) 7
Ni1 S1 2.1918(18) .
Ni1 S2 2.192(2) .
Ni1 P1 2.1859(18) .
Ni1 P2 2.1883(19) .
S1 Ag1 2.3990(18) 7
S1 C27 1.814(8) .
S2 C29 1.797(9) .
P1 C6 1.811(6) .
P1 C8 1.812(7) .
P1 C13 1.827(7) .
P2 C14 1.844(6) .
P2 C20 1.809(7) .
P2 C21 1.813(6) .
C1 C2 1.396(9) .
C1 C6 1.364(9) .
C2 C3 1.366(10) .
C3 C4 1.368(12) .
C4 C5 1.374(11) .
C5 C6 1.389(9) .
C7 C8 1.361(11) .
C7 C12 1.395(12) .
C8 C9 1.378(10) .
C9 C10 1.379(11) .
C10 C11 1.329(12) .
C11 C12 1.341(12) .
C13 C14 1.527(9) .
C15 C16 1.378(10) .
C15 C20 1.388(10) .
C16 C17 1.359(12) .
C17 C18 1.388(12) .
C18 C19 1.365(11) .
C19 C20 1.398(9) .
C21 C22 1.387(9) .
C21 C26 1.396(10) .
C22 C23 1.394(10) .
C23 C24 1.362(12) .
C24 C25 1.375(12) .
C25 C26 1.388(10) .
C27 C58 1.577(14) .
C29 C58 1.410(14) .
F0AA F4 1.16(2) .
F0AA F9 1.079(19) .
F0AA B5 1.34(2) .
F1 B5 1.28(2) .
F2 F4 1.66(2) .
F2 F6 1.12(2) .
F2 B5 1.41(2) .
F4 B5 1.37(2) .
F6 F7 1.22(2) .
F6 B5 1.27(2) .
F7 F9 1.60(2) .
F7 B5 1.44(2) .
F9 B5 1.46(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 0.500 0.000 0.420 496 75 ' '
2 0.000 0.500 0.067 496 75 ' '
