#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:47:16 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186468 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/56/7055697.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_7055697
loop_
_publ_author_name
'Adamski, Ariel'
'Fik, Marta A.'
'Kubicki, Maciej'
'Hnatejko, Zbigniew'
'Gurda, Dorota'
'Fedoruk-Wyszomirska, Agnieszka'
'Wyszko, Eliza'
'Kruszka, Dariusz'
'Dutkiewicz, Zbigniew'
'Patroniak, Violetta'
_publ_section_title
;
 Full characterization and cytotoxic activity of new silver(i) and
 copper(i) helicates with quaterpyridine
;
_journal_issue                   9
_journal_name_full               'New J. Chem.'
_journal_page_first              7943
_journal_paper_doi               10.1039/C5NJ03601A
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C44 H36 Ag2 N8, 2(F6 P)'
_chemical_formula_sum            'C44 H36 Ag2 F12 N8 P2'
_chemical_formula_weight         1182.49
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-13 deposited with the CCDC.
2016-07-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.624(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5733(4)
_cell_length_b                   23.2638(6)
_cell_length_c                   16.2128(5)
_cell_measurement_reflns_used    2957
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      27.9880
_cell_measurement_theta_min      3.4610
_cell_volume                     4710.6(2)
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_collection       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1544
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0123
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9658
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.067
_diffrn_reflns_theta_min         2.915
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_description       block
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         4852
_refine_ls_number_restraints     213
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0319
_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)+(0.0492P)²+10.8572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0927
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4287
_reflns_number_total             4852
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj03601a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7055696--7055699.cif.'
_cod_database_code               7055697
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -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 0.34093(2) 0.35180(2) 0.07997(2) 0.02362(9) Uani 1 1 d . . . . .
N1A N 0.25403(19) 0.36365(11) 0.19474(14) 0.0248(5) Uani 1 1 d . . . . .
C2A C 0.2652(2) 0.41147(13) 0.24199(18) 0.0284(6) Uani 1 1 d . . . . .
C21A C 0.3588(3) 0.44934(14) 0.2318(2) 0.0357(7) Uani 1 1 d . . . . .
H21A H 0.4238 0.4324 0.2610 0.054 Uiso 1 1 calc R U . . .
H21B H 0.3469 0.4874 0.2552 0.054 Uiso 1 1 calc R U . . .
H21C H 0.3669 0.4532 0.1727 0.054 Uiso 1 1 calc R U . . .
C3A C 0.1924(3) 0.42454(15) 0.29796(19) 0.0367(7) Uani 1 1 d . . . . .
H3A H 0.2013 0.4584 0.3309 0.044 Uiso 1 1 calc R U . . .
C4A C 0.1080(3) 0.38834(16) 0.30529(19) 0.0373(7) Uani 1 1 d . . . . .
H4A H 0.0575 0.3971 0.3427 0.045 Uiso 1 1 calc R U . . .
C5A C 0.0971(3) 0.33888(15) 0.25752(19) 0.0332(7) Uani 1 1 d . . . . .
H5A H 0.0393 0.3132 0.2621 0.040 Uiso 1 1 calc R U . . .
C6A C 0.1722(2) 0.32713(13) 0.20260(17) 0.0253(6) Uani 1 1 d . . . . .
C7A C 0.1646(2) 0.27467(13) 0.15002(18) 0.0267(6) Uani 1 1 d . . . . .
N8A N 0.22090(18) 0.27383(10) 0.08393(15) 0.0247(5) Uani 1 1 d . . . . .
C9A C 0.2178(2) 0.22684(12) 0.03604(19) 0.0283(6) Uani 1 1 d . . . . .
C10A C 0.1577(2) 0.17822(14) 0.0516(2) 0.0354(7) Uani 1 1 d . . . . .
H10A H 0.1576 0.1451 0.0174 0.043 Uiso 1 1 calc R U . . .
C11A C 0.0984(3) 0.17988(14) 0.1183(2) 0.0367(7) Uani 1 1 d . . . . .
H11A H 0.0555 0.1479 0.1296 0.044 Uiso 1 1 calc R U . . .
C12A C 0.1015(2) 0.22773(14) 0.1682(2) 0.0325(7) Uani 1 1 d . . . . .
H12A H 0.0614 0.2290 0.2143 0.039 Uiso 1 1 calc R U . . .
N1B N 0.49349(17) 0.33568(10) 0.01993(14) 0.0210(5) Uani 1 1 d . . . . .
C2B C 0.5469(2) 0.28572(12) 0.03171(18) 0.0242(6) Uani 1 1 d . . . . .
C21B C 0.5275(2) 0.25048(13) 0.10571(19) 0.0313(6) Uani 1 1 d . . . . .
H21D H 0.5617 0.2690 0.1563 0.047 Uiso 1 1 calc R U . . .
H21E H 0.5578 0.2120 0.1007 0.047 Uiso 1 1 calc R U . . .
H21F H 0.4503 0.2474 0.1086 0.047 Uiso 1 1 calc R U . . .
C3B C 0.6183(2) 0.26762(12) -0.02278(19) 0.0277(6) Uani 1 1 d . . . . .
H3B H 0.6528 0.2314 -0.0151 0.033 Uiso 1 1 calc R U . . .
C4B C 0.6385(2) 0.30252(13) -0.08777(18) 0.0282(6) Uani 1 1 d . . . . .
H4B H 0.6877 0.2909 -0.1248 0.034 Uiso 1 1 calc R U . . .
C5B C 0.5858(2) 0.35483(12) -0.09823(18) 0.0243(6) Uani 1 1 d . . . . .
H5B H 0.6000 0.3801 -0.1417 0.029 Uiso 1 1 calc R U . . .
C6B C 0.5117(2) 0.36986(12) -0.04423(16) 0.0201(5) Uani 1 1 d . . . . .
C7B C 0.4468(2) 0.42359(12) -0.05562(16) 0.0200(5) Uani 1 1 d . . . . .
N8B N 0.35894(17) 0.42661(9) -0.01541(13) 0.0188(4) Uani 1 1 d . . . . .
C9B C 0.29858(19) 0.47440(11) -0.02239(15) 0.0192(5) Uani 1 1 d . . . . .
C10B C 0.3235(2) 0.52171(12) -0.06932(17) 0.0239(6) Uani 1 1 d . . . . .
H10B H 0.2806 0.5554 -0.0719 0.029 Uiso 1 1 calc R U . . .
C11B C 0.4128(2) 0.51811(13) -0.11223(18) 0.0267(6) Uani 1 1 d . . . . .
H11B H 0.4311 0.5492 -0.1459 0.032 Uiso 1 1 calc R U . . .
C12B C 0.4749(2) 0.46871(12) -0.10529(17) 0.0240(6) Uani 1 1 d . . . . .
H12B H 0.5363 0.4657 -0.1342 0.029 Uiso 1 1 calc R U . . .
P1C P 0.71840(9) 0.36700(5) 0.29167(6) 0.0489(3) Uani 1 1 d . U . . .
F1C F 0.5883(4) 0.3565(3) 0.2773(4) 0.109(2) Uani 0.684(6) 1 d D U P A 1
F2C F 0.8405(3) 0.3721(3) 0.2991(3) 0.0945(19) Uani 0.684(6) 1 d D U P A 1
F3C F 0.7320(5) 0.29906(19) 0.2704(3) 0.099(2) Uani 0.684(6) 1 d D U P A 1
F4C F 0.6921(6) 0.42972(18) 0.3090(3) 0.0907(19) Uani 0.684(6) 1 d D U P A 1
F5C F 0.7085(4) 0.3779(3) 0.1952(3) 0.0695(18) Uani 0.684(6) 1 d D U P A 1
F6C F 0.7185(5) 0.34777(19) 0.3838(3) 0.0788(16) Uani 0.684(6) 1 d D U P A 1
F1D F 0.8175(6) 0.3277(4) 0.2744(4) 0.054(2) Uani 0.316(6) 1 d D U P A 2
F2D F 0.6299(8) 0.4118(5) 0.3079(6) 0.081(4) Uani 0.316(6) 1 d D U P A 2
F3D F 0.6488(9) 0.3179(5) 0.3061(8) 0.123(5) Uani 0.316(6) 1 d D U P A 2
F4D F 0.7992(9) 0.4204(4) 0.2674(8) 0.128(5) Uani 0.316(6) 1 d D U P A 2
F5D F 0.7699(10) 0.3714(6) 0.3827(6) 0.139(5) Uani 0.316(6) 1 d D U P A 2
F6D F 0.6760(9) 0.3653(5) 0.1960(5) 0.076(4) Uani 0.316(6) 1 d D U P A 2
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'
Ag Ag -0.8971 1.1015 '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'
F F 0.0171 0.0103 '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_3
N1B Ag1 N1A 150.94(8) .
N1B Ag1 N8B 72.06(8) .
N1A Ag1 N8B 122.51(8) .
N1B Ag1 N8A 117.15(8) .
N1A Ag1 N8A 72.74(9) .
N8B Ag1 N8A 133.96(8) .
N1B Ag1 Ag1 102.02(6) 2
N1A Ag1 Ag1 106.94(6) 2
N8B Ag1 Ag1 65.72(5) 2
N8A Ag1 Ag1 68.26(6) 2
C2A N1A C6A 119.7(2) .
C2A N1A Ag1 122.32(19) .
C6A N1A Ag1 116.26(19) .
N1A C2A C3A 121.1(3) .
N1A C2A C21A 117.1(3) .
C3A C2A C21A 121.8(3) .
C2A C21A H21A 109.5 .
C2A C21A H21B 109.5 .
H21A C21A H21B 109.5 .
C2A C21A H21C 109.5 .
H21A C21A H21C 109.5 .
H21B C21A H21C 109.5 .
C4A C3A C2A 119.7(3) .
C4A C3A H3A 120.2 .
C2A C3A H3A 120.2 .
C3A C4A C5A 119.3(3) .
C3A C4A H4A 120.3 .
C5A C4A H4A 120.3 .
C4A C5A C6A 119.2(3) .
C4A C5A H5A 120.4 .
C6A C5A H5A 120.4 .
N1A C6A C5A 121.0(3) .
N1A C6A C7A 117.5(2) .
C5A C6A C7A 121.5(3) .
N8A C7A C12A 121.1(3) .
N8A C7A C6A 117.6(2) .
C12A C7A C6A 121.4(3) .
C9A N8A C7A 119.3(2) .
C9A N8A Ag1 125.91(18) .
C7A N8A Ag1 113.87(19) .
N8A C9A C10A 122.4(3) .
N8A C9A C9A 118.07(19) 2
C10A C9A C9A 119.5(2) 2
C11A C10A C9A 118.0(3) .
C11A C10A H10A 121.0 .
C9A C10A H10A 121.0 .
C12A C11A C10A 120.1(3) .
C12A C11A H11A 119.9 .
C10A C11A H11A 119.9 .
C11A C12A C7A 119.1(3) .
C11A C12A H12A 120.4 .
C7A C12A H12A 120.4 .
C2B N1B C6B 119.5(2) .
C2B N1B Ag1 120.82(18) .
C6B N1B Ag1 117.25(17) .
N1B C2B C3B 121.2(3) .
N1B C2B C21B 117.6(2) .
C3B C2B C21B 121.2(3) .
C2B C21B H21D 109.5 .
C2B C21B H21E 109.5 .
H21D C21B H21E 109.5 .
C2B C21B H21F 109.5 .
H21D C21B H21F 109.5 .
H21E C21B H21F 109.5 .
C4B C3B C2B 119.7(3) .
C4B C3B H3B 120.1 .
C2B C3B H3B 120.1 .
C3B C4B C5B 118.9(3) .
C3B C4B H4B 120.5 .
C5B C4B H4B 120.5 .
C4B C5B C6B 119.2(3) .
C4B C5B H5B 120.4 .
C6B C5B H5B 120.4 .
N1B C6B C5B 121.4(3) .
N1B C6B C7B 116.7(2) .
C5B C6B C7B 121.8(2) .
N8B C7B C12B 121.2(2) .
N8B C7B C6B 116.8(2) .
C12B C7B C6B 122.0(2) .
C9B N8B C7B 119.3(2) .
C9B N8B Ag1 124.77(17) .
C7B N8B Ag1 115.17(17) .
N8B C9B C10B 122.6(2) .
N8B C9B C9B 116.46(17) 2
C10B C9B C9B 120.92(18) 2
C11B C10B C9B 118.1(3) .
C11B C10B H10B 121.0 .
C9B C10B H10B 121.0 .
C12B C11B C10B 119.3(3) .
C12B C11B H11B 120.3 .
C10B C11B H11B 120.3 .
C11B C12B C7B 119.5(2) .
C11B C12B H12B 120.2 .
C7B C12B H12B 120.2 .
F4C P1C F2C 98.5(4) .
F3D P1C F5D 95.2(5) .
F4C P1C F6C 94.2(3) .
F2C P1C F6C 93.2(3) .
F3D P1C F2D 92.4(5) .
F5D P1C F2D 91.3(5) .
F4C P1C F5C 92.0(3) .
F2C P1C F5C 91.7(3) .
F6C P1C F5C 171.3(3) .
F3D P1C F6D 89.8(5) .
F5D P1C F6D 174.4(6) .
F2D P1C F6D 90.9(5) .
F3D P1C F1D 94.2(5) .
F5D P1C F1D 87.5(4) .
F2D P1C F1D 173.4(6) .
F6D P1C F1D 89.7(4) .
F4C P1C F3C 173.5(3) .
F2C P1C F3C 87.9(3) .
F6C P1C F3C 86.3(2) .
F5C P1C F3C 86.8(3) .
F4C P1C F1C 86.3(3) .
F2C P1C F1C 174.5(4) .
F6C P1C F1C 89.1(3) .
F5C P1C F1C 85.4(3) .
F3C P1C F1C 87.3(3) .
F3D P1C F4D 175.1(6) .
F5D P1C F4D 88.7(5) .
F2D P1C F4D 90.5(6) .
F6D P1C F4D 86.2(5) .
F1D P1C F4D 83.0(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1B 2.280(2) .
Ag1 N1A 2.281(2) .
Ag1 N8B 2.356(2) .
Ag1 N8A 2.365(2) .
Ag1 Ag1 3.2535(4) 2
N1A C2A 1.349(4) .
N1A C6A 1.352(4) .
C2A C3A 1.395(4) .
C2A C21A 1.493(4) .
C21A H21A 0.9800 .
C21A H21B 0.9800 .
C21A H21C 0.9800 .
C3A C4A 1.370(5) .
C3A H3A 0.9500 .
C4A C5A 1.385(5) .
C4A H4A 0.9500 .
C5A C6A 1.397(4) .
C5A H5A 0.9500 .
C6A C7A 1.485(4) .
C7A N8A 1.350(4) .
C7A C12A 1.401(4) .
N8A C9A 1.339(4) .
C9A C10A 1.399(4) .
C9A C9A 1.497(6) 2
C10A C11A 1.383(5) .
C10A H10A 0.9500 .
C11A C12A 1.374(5) .
C11A H11A 0.9500 .
C12A H12A 0.9500 .
N1B C2B 1.345(4) .
N1B C6B 1.350(4) .
C2B C3B 1.395(4) .
C2B C21B 1.496(4) .
C21B H21D 0.9800 .
C21B H21E 0.9800 .
C21B H21F 0.9800 .
C3B C4B 1.377(4) .
C3B H3B 0.9500 .
C4B C5B 1.387(4) .
C4B H4B 0.9500 .
C5B C6B 1.395(4) .
C5B H5B 0.9500 .
C6B C7B 1.493(4) .
C7B N8B 1.347(3) .
C7B C12B 1.393(4) .
N8B C9B 1.343(3) .
C9B C10B 1.394(4) .
C9B C9B 1.491(5) 2
C10B C11B 1.391(4) .
C10B H10B 0.9500 .
C11B C12B 1.387(4) .
C11B H11B 0.9500 .
C12B H12B 0.9500 .
P1C F3D 1.473(8) .
P1C F4C 1.529(4) .
P1C F2C 1.530(4) .
P1C F5D 1.546(9) .
P1C F6C 1.558(4) .
P1C F2D 1.568(7) .
P1C F5C 1.575(4) .
P1C F6D 1.581(8) .
P1C F1D 1.596(6) .
P1C F3C 1.631(5) .
P1C F1C 1.644(5) .
P1C F4D 1.679(8) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C10B H10B F5C 0.95 2.55 3.097(5) 117.1 5_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6A N1A C2A C3A -1.2(4) . .
Ag1 N1A C2A C3A 163.3(2) . .
C6A N1A C2A C21A 178.6(3) . .
Ag1 N1A C2A C21A -16.9(4) . .
N1A C2A C3A C4A 0.0(5) . .
C21A C2A C3A C4A -179.8(3) . .
C2A C3A C4A C5A 0.8(5) . .
C3A C4A C5A C6A -0.3(5) . .
C2A N1A C6A C5A 1.7(4) . .
Ag1 N1A C6A C5A -163.8(2) . .
C2A N1A C6A C7A -179.1(2) . .
Ag1 N1A C6A C7A 15.5(3) . .
C4A C5A C6A N1A -0.9(4) . .
C4A C5A C6A C7A 179.8(3) . .
N1A C6A C7A N8A -16.7(4) . .
C5A C6A C7A N8A 162.5(3) . .
N1A C6A C7A C12A 163.2(3) . .
C5A C6A C7A C12A -17.5(4) . .
C12A C7A N8A C9A -1.3(4) . .
C6A C7A N8A C9A 178.7(2) . .
C12A C7A N8A Ag1 -170.9(2) . .
C6A C7A N8A Ag1 9.1(3) . .
C7A N8A C9A C10A 0.3(4) . .
Ag1 N8A C9A C10A 168.5(2) . .
C7A N8A C9A C9A -179.1(3) . 2
Ag1 N8A C9A C9A -10.9(4) . 2
N8A C9A C10A C11A 1.1(5) . .
C9A C9A C10A C11A -179.5(3) 2 .
C9A C10A C11A C12A -1.5(5) . .
C10A C11A C12A C7A 0.5(5) . .
N8A C7A C12A C11A 0.9(4) . .
C6A C7A C12A C11A -179.1(3) . .
C6B N1B C2B C3B -2.1(4) . .
Ag1 N1B C2B C3B 159.7(2) . .
C6B N1B C2B C21B 177.5(2) . .
Ag1 N1B C2B C21B -20.7(3) . .
N1B C2B C3B C4B 3.0(4) . .
C21B C2B C3B C4B -176.6(3) . .
C2B C3B C4B C5B -0.9(4) . .
C3B C4B C5B C6B -1.8(4) . .
C2B N1B C6B C5B -0.8(4) . .
Ag1 N1B C6B C5B -163.2(2) . .
C2B N1B C6B C7B 177.8(2) . .
Ag1 N1B C6B C7B 15.3(3) . .
C4B C5B C6B N1B 2.7(4) . .
C4B C5B C6B C7B -175.7(2) . .
N1B C6B C7B N8B -16.0(3) . .
C5B C6B C7B N8B 162.5(2) . .
N1B C6B C7B C12B 164.0(2) . .
C5B C6B C7B C12B -17.5(4) . .
C12B C7B N8B C9B -1.1(4) . .
C6B C7B N8B C9B 178.9(2) . .
C12B C7B N8B Ag1 -171.37(19) . .
C6B C7B N8B Ag1 8.6(3) . .
C7B N8B C9B C10B -0.6(4) . .
Ag1 N8B C9B C10B 168.74(19) . .
C7B N8B C9B C9B 178.8(2) . 2
Ag1 N8B C9B C9B -11.9(4) . 2
N8B C9B C10B C11B 1.9(4) . .
C9B C9B C10B C11B -177.5(3) 2 .
C9B C10B C11B C12B -1.6(4) . .
C10B C11B C12B C7B 0.1(4) . .
N8B C7B C12B C11B 1.3(4) . .
C6B C7B C12B C11B -178.7(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 -0.016 0.000 0.000 314 47 ' '
2 -0.004 0.500 0.500 314 47 ' '
