#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:31:29 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180398 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/67/7206715.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_7206715
loop_
_publ_author_name
'Hou, Gui-Ge'
'Wu, Yan'
'Ma, Jian-Ping'
'Dong, Yu-Bin'
_publ_section_title
;
 Synthesis, structural characterization and properties of Ag(i)-complexes
 based on double-armed 1,3,4-oxadiazole bridging ligands
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              6850
_journal_paper_doi               10.1039/c1ce05718a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C30 H20 Ag F6 N4 O3 Sb'
_chemical_formula_weight         828.12
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.991(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9896(12)
_cell_length_b                   31.618(4)
_cell_length_c                   12.7659(17)
_cell_measurement_reflns_used    6702
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.640
_cell_measurement_theta_min      2.357
_cell_volume                     3488.1(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18015
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    1.402
_exptl_absorpt_correction_T_max  0.9332
_exptl_absorpt_correction_T_min  0.6040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plan
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.288
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0583P)²+3.4716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                5288
_reflns_number_total             6450
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05718a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7206715
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.43449(4) -0.050273(11) 0.44238(3) 0.03762(13) Uani 1 1 d .
N1 N 0.3459(4) 0.04903(11) 0.4264(3) 0.0275(8) Uani 1 1 d .
N2 N 0.3258(4) 0.01283(11) 0.3607(3) 0.0287(8) Uani 1 1 d .
N4 N 0.7164(9) 0.32873(19) 0.3819(5) 0.097(2) Uani 1 1 d .
N3 N 1.1969(5) -0.07900(15) 0.4285(4) 0.0471(11) Uani 1 1 d .
C1 C 1.0668(6) -0.07731(16) 0.3889(4) 0.0382(11) Uani 1 1 d .
C2 C 0.9040(5) -0.07534(16) 0.3339(4) 0.0353(11) Uani 1 1 d .
C3 C 0.8379(6) -0.10743(16) 0.2614(4) 0.0394(11) Uani 1 1 d .
H3 H 0.8982 -0.1309 0.2513 0.047 Uiso 1 1 calc R
C4 C 0.6832(6) -0.10462(15) 0.2044(4) 0.0366(11) Uani 1 1 d .
H4 H 0.6363 -0.1267 0.1560 0.044 Uiso 1 1 calc R
C5 C 0.5963(5) -0.06984(15) 0.2174(3) 0.0316(10) Uani 1 1 d .
C6 C 0.6631(5) -0.03810(15) 0.2902(4) 0.0357(11) Uani 1 1 d .
H6 H 0.6033 -0.0144 0.2999 0.043 Uiso 1 1 calc R
C7 C 0.8165(6) -0.04104(15) 0.3484(4) 0.0368(11) Uani 1 1 d .
H7 H 0.8623 -0.0194 0.3987 0.044 Uiso 1 1 calc R
C8 C 0.4301(5) -0.06747(18) 0.1489(4) 0.0399(12) Uani 1 1 d .
H8A H 0.4219 -0.0485 0.0858 0.048 Uiso 1 1 calc R
H8B H 0.3933 -0.0959 0.1211 0.048 Uiso 1 1 calc R
C9 C 0.1838(5) -0.04455(14) 0.1636(4) 0.0307(10) Uani 1 1 d .
C10 C 0.0986(6) -0.06979(16) 0.0806(4) 0.0380(11) Uani 1 1 d .
H10 H 0.1467 -0.0931 0.0562 0.046 Uiso 1 1 calc R
C11 C -0.0567(5) -0.06146(16) 0.0321(4) 0.0376(11) Uani 1 1 d .
H11 H -0.1137 -0.0791 -0.0251 0.045 Uiso 1 1 calc R
C12 C -0.1289(5) -0.02791(15) 0.0663(4) 0.0326(10) Uani 1 1 d .
H12 H -0.2356 -0.0225 0.0336 0.039 Uiso 1 1 calc R
C13 C -0.0451(5) -0.00240(14) 0.1477(3) 0.0296(10) Uani 1 1 d .
H13 H -0.0942 0.0211 0.1706 0.036 Uiso 1 1 calc R
C14 C 0.1121(5) -0.01021(13) 0.1983(3) 0.0262(9) Uani 1 1 d .
C15 C 0.1948(5) 0.01770(13) 0.2862(3) 0.0256(9) Uani 1 1 d .
C16 C 0.2264(5) 0.07315(13) 0.3872(3) 0.0260(9) Uani 1 1 d .
C17 C 0.1784(5) 0.11323(14) 0.4234(4) 0.0306(10) Uani 1 1 d .
C18 C 0.0242(6) 0.12541(16) 0.3764(5) 0.0456(13) Uani 1 1 d .
H18 H -0.0408 0.1084 0.3210 0.055 Uiso 1 1 calc R
C19 C -0.0334(7) 0.16173(19) 0.4098(6) 0.0610(17) Uani 1 1 d .
H19 H -0.1381 0.1696 0.3779 0.073 Uiso 1 1 calc R
C20 C 0.0593(7) 0.18623(18) 0.4881(5) 0.0574(16) Uani 1 1 d .
H20 H 0.0187 0.2113 0.5105 0.069 Uiso 1 1 calc R
C21 C 0.2114(6) 0.17539(16) 0.5360(4) 0.0458(13) Uani 1 1 d .
H21 H 0.2746 0.1930 0.5908 0.055 Uiso 1 1 calc R
C22 C 0.2722(5) 0.13888(14) 0.5042(4) 0.0328(10) Uani 1 1 d .
C23 C 0.5218(7) 0.15259(15) 0.6259(4) 0.0453(13) Uani 1 1 d .
H23A H 0.6169 0.1368 0.6626 0.054 Uiso 1 1 calc R
H23B H 0.4709 0.1611 0.6823 0.054 Uiso 1 1 calc R
C24 C 0.5656(6) 0.19169(16) 0.5740(4) 0.0430(13) Uani 1 1 d .
C25 C 0.6003(7) 0.18925(15) 0.4762(5) 0.0467(13) Uani 1 1 d .
H25 H 0.5957 0.1625 0.4413 0.056 Uiso 1 1 calc R
C26 C 0.6413(7) 0.22403(17) 0.4273(5) 0.0529(14) Uani 1 1 d .
H26 H 0.6627 0.2215 0.3587 0.063 Uiso 1 1 calc R
C27 C 0.6518(8) 0.26326(17) 0.4781(5) 0.0648(19) Uani 1 1 d .
C28 C 0.6154(12) 0.2661(2) 0.5773(6) 0.094(3) Uani 1 1 d .
H28 H 0.6194 0.2927 0.6126 0.112 Uiso 1 1 calc R
C29 C 0.5736(11) 0.23030(19) 0.6242(5) 0.085(3) Uani 1 1 d .
H29 H 0.5500 0.2324 0.6921 0.102 Uiso 1 1 calc R
C30 C 0.6878(9) 0.3000(2) 0.4260(6) 0.073(2) Uani 1 1 d .
F1 F 0.6442(5) 0.06717(12) 0.3103(3) 0.0782(12) Uani 1 1 d .
F2 F 0.7414(4) 0.09229(14) 0.1423(4) 0.0859(13) Uani 1 1 d .
F3 F 0.5020(6) 0.04168(12) 0.1097(3) 0.0935(15) Uani 1 1 d .
F4 F 0.4629(5) 0.12130(12) 0.0465(3) 0.0689(10) Uani 1 1 d .
F5 F 0.6060(5) 0.14640(10) 0.2435(3) 0.0694(10) Uani 1 1 d .
F6 F 0.3646(5) 0.09559(14) 0.2107(3) 0.0866(13) Uani 1 1 d .
O1 O 0.3380(4) -0.05154(10) 0.2149(2) 0.0339(7) Uani 1 1 d .
O2 O 0.4200(4) 0.12527(10) 0.5493(3) 0.0376(8) Uani 1 1 d .
O3 O 0.1284(3) 0.05503(9) 0.2986(2) 0.0275(7) Uani 1 1 d .
Sb1 Sb 0.55325(4) 0.094047(11) 0.17774(3) 0.03864(12) Uani 1 1 d .
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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
N1 Ag1 N3 133.42(14) 3_656 1_455
N1 Ag1 N2 119.96(12) 3_656 .
N3 Ag1 N2 92.18(14) 1_455 .
C16 N1 N2 107.0(3) . .
C16 N1 Ag1 138.8(3) . 3_656
N2 N1 Ag1 114.2(2) . 3_656
C15 N2 N1 106.4(3) . .
C15 N2 Ag1 127.5(3) . .
N1 N2 Ag1 117.5(2) . .
C1 N3 Ag1 147.1(4) . 1_655
N3 C1 C2 177.2(6) . .
C7 C2 C3 120.5(4) . .
C7 C2 C1 120.5(4) . .
C3 C2 C1 118.9(5) . .
C4 C3 C2 119.1(5) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C3 C4 C5 120.4(4) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C6 120.0(4) . .
C4 C5 C8 118.0(4) . .
C6 C5 C8 121.9(4) . .
C7 C6 C5 119.8(4) . .
C7 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C6 C7 C2 120.2(4) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
O1 C8 C5 108.6(4) . .
O1 C8 H8A 110.0 . .
C5 C8 H8A 110.0 . .
O1 C8 H8B 110.0 . .
C5 C8 H8B 110.0 . .
H8A C8 H8B 108.4 . .
O1 C9 C10 123.1(4) . .
O1 C9 C14 117.8(4) . .
C10 C9 C14 119.1(4) . .
C9 C10 C11 120.7(5) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
C12 C11 C10 120.7(4) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C13 C12 C11 119.2(4) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C12 C13 C14 121.3(4) . .
C12 C13 H13 119.3 . .
C14 C13 H13 119.3 . .
C9 C14 C13 119.0(4) . .
C9 C14 C15 122.2(4) . .
C13 C14 C15 118.8(4) . .
N2 C15 O3 110.9(4) . .
N2 C15 C14 131.0(4) . .
O3 C15 C14 118.0(3) . .
N1 C16 O3 110.6(4) . .
N1 C16 C17 132.5(4) . .
O3 C16 C17 116.9(4) . .
C22 C17 C18 118.7(4) . .
C22 C17 C16 124.7(4) . .
C18 C17 C16 116.6(4) . .
C19 C18 C17 120.6(5) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C20 C19 C18 119.9(5) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 121.2(5) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C20 C21 C22 120.1(5) . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
O2 C22 C21 123.8(4) . .
O2 C22 C17 116.6(4) . .
C21 C22 C17 119.6(4) . .
O2 C23 C24 113.0(4) . .
O2 C23 H23A 109.0 . .
C24 C23 H23A 109.0 . .
O2 C23 H23B 109.0 . .
C24 C23 H23B 109.0 . .
H23A C23 H23B 107.8 . .
C25 C24 C29 118.7(5) . .
C25 C24 C23 120.5(4) . .
C29 C24 C23 120.8(5) . .
C26 C25 C24 122.0(5) . .
C26 C25 H25 119.0 . .
C24 C25 H25 119.0 . .
C25 C26 C27 119.9(6) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C26 C27 C28 118.5(6) . .
C26 C27 C30 120.5(6) . .
C28 C27 C30 120.9(6) . .
C29 C28 C27 120.1(6) . .
C29 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
C24 C29 C28 120.8(6) . .
C24 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
N4 C30 C27 178.1(8) . .
C9 O1 C8 116.6(3) . .
C22 O2 C23 117.6(4) . .
C15 O3 C16 105.1(3) . .
F6 Sb1 F5 90.5(2) . .
F6 Sb1 F4 89.58(18) . .
F5 Sb1 F4 89.32(16) . .
F6 Sb1 F3 90.3(2) . .
F5 Sb1 F3 179.0(2) . .
F4 Sb1 F3 90.07(17) . .
F6 Sb1 F2 179.11(19) . .
F5 Sb1 F2 90.02(19) . .
F4 Sb1 F2 89.74(19) . .
F3 Sb1 F2 89.1(2) . .
F6 Sb1 F1 90.34(19) . .
F5 Sb1 F1 90.14(16) . .
F4 Sb1 F1 179.45(17) . .
F3 Sb1 F1 90.47(17) . .
F2 Sb1 F1 90.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.210(3) 3_656
Ag1 N3 2.283(4) 1_455
Ag1 N2 2.337(4) .
N1 C16 1.300(5) .
N1 N2 1.401(5) .
N1 Ag1 2.210(3) 3_656
N2 C15 1.303(5) .
N4 C30 1.134(8) .
N3 C1 1.140(6) .
N3 Ag1 2.283(4) 1_655
C1 C2 1.440(6) .
C2 C7 1.382(7) .
C2 C3 1.391(7) .
C3 C4 1.384(7) .
C3 H3 0.9500 .
C4 C5 1.386(7) .
C4 H4 0.9500 .
C5 C6 1.387(6) .
C5 C8 1.511(6) .
C6 C7 1.377(7) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 O1 1.426(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 O1 1.378(5) .
C9 C10 1.378(6) .
C9 C14 1.396(6) .
C10 C11 1.387(6) .
C10 H10 0.9500 .
C11 C12 1.376(7) .
C11 H11 0.9500 .
C12 C13 1.367(6) .
C12 H12 0.9500 .
C13 C14 1.404(6) .
C13 H13 0.9500 .
C14 C15 1.460(6) .
C15 O3 1.351(5) .
C16 O3 1.354(5) .
C16 C17 1.454(6) .
C17 C22 1.398(6) .
C17 C18 1.404(6) .
C18 C19 1.375(8) .
C18 H18 0.9500 .
C19 C20 1.355(8) .
C19 H19 0.9500 .
C20 C21 1.378(8) .
C20 H20 0.9500 .
C21 C22 1.385(7) .
C21 H21 0.9500 .
C22 O2 1.364(5) .
C23 O2 1.431(5) .
C23 C24 1.506(7) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.370(8) .
C24 C29 1.372(7) .
C25 C26 1.364(8) .
C25 H25 0.9500 .
C26 C27 1.390(8) .
C26 H26 0.9500 .
C27 C28 1.396(10) .
C27 C30 1.421(9) .
C28 C29 1.379(9) .
C28 H28 0.9500 .
C29 H29 0.9500 .
F1 Sb1 1.869(3) .
F2 Sb1 1.868(4) .
F3 Sb1 1.867(4) .
F4 Sb1 1.860(3) .
F5 Sb1 1.858(3) .
F6 Sb1 1.857(4) .
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
C16 N1 N2 C15 -0.1(5) .
Ag1 N1 N2 C15 -178.0(3) 3_656
C16 N1 N2 Ag1 -150.3(3) .
Ag1 N1 N2 Ag1 31.8(3) 3_656
N1 Ag1 N2 C15 -176.8(3) 3_656
N3 Ag1 N2 C15 -32.1(4) 1_455
N1 Ag1 N2 N1 -33.7(4) 3_656
N3 Ag1 N2 N1 111.0(3) 1_455
Ag1 N3 C1 C2 58(12) 1_655
N3 C1 C2 C7 -122(11) .
N3 C1 C2 C3 55(11) .
C7 C2 C3 C4 -0.2(7) .
C1 C2 C3 C4 -176.9(5) .
C2 C3 C4 C5 1.5(7) .
C3 C4 C5 C6 -1.8(7) .
C3 C4 C5 C8 177.0(5) .
C4 C5 C6 C7 0.8(7) .
C8 C5 C6 C7 -178.0(4) .
C5 C6 C7 C2 0.5(7) .
C3 C2 C7 C6 -0.7(7) .
C1 C2 C7 C6 175.9(4) .
C4 C5 C8 O1 139.9(4) .
C6 C5 C8 O1 -41.3(6) .
O1 C9 C10 C11 179.6(4) .
C14 C9 C10 C11 -0.3(7) .
C9 C10 C11 C12 -0.2(8) .
C10 C11 C12 C13 0.9(7) .
C11 C12 C13 C14 -1.1(7) .
O1 C9 C14 C13 -179.8(4) .
C10 C9 C14 C13 0.1(6) .
O1 C9 C14 C15 -0.3(6) .
C10 C9 C14 C15 179.6(4) .
C12 C13 C14 C9 0.6(6) .
C12 C13 C14 C15 -178.9(4) .
N1 N2 C15 O3 0.5(5) .
Ag1 N2 C15 O3 146.8(3) .
N1 N2 C15 C14 -177.7(4) .
Ag1 N2 C15 C14 -31.4(7) .
C9 C14 C15 N2 -16.4(7) .
C13 C14 C15 N2 163.1(5) .
C9 C14 C15 O3 165.6(4) .
C13 C14 C15 O3 -14.9(6) .
N2 N1 C16 O3 -0.4(5) .
Ag1 N1 C16 O3 176.8(3) 3_656
N2 N1 C16 C17 176.2(4) .
Ag1 N1 C16 C17 -6.6(8) 3_656
N1 C16 C17 C22 11.9(8) .
O3 C16 C17 C22 -171.7(4) .
N1 C16 C17 C18 -164.9(5) .
O3 C16 C17 C18 11.5(6) .
C22 C17 C18 C19 -0.4(8) .
C16 C17 C18 C19 176.7(5) .
C17 C18 C19 C20 0.5(10) .
C18 C19 C20 C21 -0.3(10) .
C19 C20 C21 C22 0.0(10) .
C20 C21 C22 O2 -178.2(5) .
C20 C21 C22 C17 0.1(8) .
C18 C17 C22 O2 178.5(4) .
C16 C17 C22 O2 1.7(7) .
C18 C17 C22 C21 0.1(7) .
C16 C17 C22 C21 -176.7(5) .
O2 C23 C24 C25 -41.7(7) .
O2 C23 C24 C29 139.1(6) .
C29 C24 C25 C26 -0.4(9) .
C23 C24 C25 C26 -179.6(5) .
C24 C25 C26 C27 1.3(9) .
C25 C26 C27 C28 -1.8(10) .
C25 C26 C27 C30 -177.2(6) .
C26 C27 C28 C29 1.5(12) .
C30 C27 C28 C29 176.9(8) .
C25 C24 C29 C28 0.1(11) .
C23 C24 C29 C28 179.3(7) .
C27 C28 C29 C24 -0.6(13) .
C26 C27 C30 N4 4(27) .
C28 C27 C30 N4 -171(26) .
C10 C9 O1 C8 35.1(6) .
C14 C9 O1 C8 -145.0(4) .
C5 C8 O1 C9 175.8(4) .
C21 C22 O2 C23 -6.5(7) .
C17 C22 O2 C23 175.2(4) .
C24 C23 O2 C22 -69.7(6) .
N2 C15 O3 C16 -0.7(5) .
C14 C15 O3 C16 177.7(4) .
N1 C16 O3 C15 0.6(5) .
C17 C16 O3 C15 -176.5(4) .
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
1 0.119 0.250 0.080 405.6 166.6
2 -0.119 0.750 0.426 405.5 167.5
