#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:03:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179437 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/34/4333490.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333490
loop_
_publ_author_name
'Stork, Jay R.'
'Thoi, Van S.'
'Cohen, Seth M.'
_publ_section_title
;
 Rare Examples of Transition-Metal−Main-Group Metal Heterometallic
 Metal−Organic Frameworks from Gallium and Indium Dipyrrinato
 Complexes and Silver Salts:  Synthesis and Framework Variability
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11213
_journal_page_last               11223
_journal_paper_doi               10.1021/ic7016159
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C42 H30 Ag F6 In N9 P'
_chemical_formula_sum            'C42 H30 Ag F6 In N9 P'
_chemical_formula_weight         1028.41
_chemical_name_common            MOF-In/AgPF₆-1b
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 115.3430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.835(3)
_cell_length_b                   12.8637(12)
_cell_length_c                   33.715(3)
_cell_measurement_reflns_used    5147
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      2.33
_cell_volume                     12478(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART 5.054 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45A (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       ω
_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  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            41189
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.47
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.756
_exptl_absorpt_correction_T_max  0.88065
_exptl_absorpt_correction_T_min  0.78762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2004)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4080
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         2.746
_refine_diff_density_min         -1.451
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         12712
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1249P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1775
_refine_ls_wR_factor_ref         0.1917
_reflns_number_gt                8042
_reflns_number_total             12712
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic7016159sup1.cif
_cod_data_source_block           jrs159-sqz2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4333490
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ag1 Ag 0.77488(16) 0.2424(3) 0.76951(16) 0.0585(6) Uani 0.50 1 d P 1
Ag2 Ag 0.76885(16) 0.2081(3) 0.76881(16) 0.0711(9) Uani 0.50 1 d P 2
C1 C 0.51073(19) 0.6464(4) 0.64704(17) 0.0604(15) Uani 1 1 d . .
H1 H 0.4859 0.6950 0.6358 0.072 Uiso 1 1 calc R .
C2 C 0.5555(2) 0.6696(5) 0.68033(17) 0.0709(18) Uani 1 1 d . .
H2 H 0.5661 0.7343 0.6947 0.085 Uiso 1 1 calc R .
C3 C 0.58022(19) 0.5787(4) 0.68743(16) 0.0567(14) Uani 1 1 d . .
H3 H 0.6115 0.5689 0.7084 0.068 Uiso 1 1 calc R .
C4 C 0.55172(16) 0.5025(4) 0.65854(14) 0.0465(12) Uani 1 1 d . .
C5 C 0.56333(16) 0.3986(4) 0.65494(14) 0.0430(11) Uani 1 1 d . .
C6 C 0.53516(15) 0.3219(4) 0.62665(14) 0.0418(10) Uani 1 1 d . .
C7 C 0.54914(19) 0.2188(4) 0.62068(16) 0.0504(12) Uani 1 1 d . .
H7 H 0.5791 0.1891 0.6360 0.060 Uiso 1 1 calc R .
C8 C 0.5118(2) 0.1724(4) 0.58942(17) 0.0556(13) Uani 1 1 d . .
H8 H 0.5105 0.1040 0.5783 0.067 Uiso 1 1 calc R .
C9 C 0.47549(19) 0.2432(4) 0.57641(16) 0.0527(13) Uani 1 1 d . .
H9 H 0.4451 0.2291 0.5546 0.063 Uiso 1 1 calc R .
C10 C 0.61115(16) 0.3679(4) 0.68424(15) 0.0476(12) Uani 1 1 d . .
C11 C 0.62035(18) 0.2925(4) 0.71651(15) 0.0483(12) Uani 1 1 d . .
H11 H 0.5957 0.2592 0.7203 0.058 Uiso 1 1 calc R .
C12 C 0.66629(19) 0.2668(5) 0.74305(16) 0.0561(14) Uani 1 1 d . .
H12 H 0.6720 0.2164 0.7654 0.067 Uiso 1 1 calc R .
C13 C 0.69360(19) 0.3809(5) 0.70803(18) 0.0643(15) Uani 1 1 d . .
H13 H 0.7191 0.4115 0.7048 0.077 Uiso 1 1 calc R .
C14 C 0.65001(18) 0.4130(5) 0.68103(18) 0.0609(14) Uani 1 1 d . .
H14 H 0.6457 0.4659 0.6599 0.073 Uiso 1 1 calc R .
C15 C 0.3869(3) 0.6817(6) 0.5604(2) 0.091(2) Uani 1 1 d . .
H15 H 0.3974 0.6877 0.5380 0.109 Uiso 1 1 calc R .
C16 C 0.3564(3) 0.7529(7) 0.5664(3) 0.116(4) Uani 1 1 d . .
H16 H 0.3433 0.8141 0.5500 0.139 Uiso 1 1 calc R .
C17 C 0.3496(3) 0.7140(6) 0.6014(2) 0.092(2) Uani 1 1 d . .
H17 H 0.3296 0.7432 0.6128 0.110 Uiso 1 1 calc R .
C18 C 0.37677(19) 0.6251(5) 0.61739(18) 0.0616(15) Uani 1 1 d . .
C19 C 0.37969(18) 0.5616(4) 0.65174(17) 0.0542(13) Uani 1 1 d . .
C20 C 0.40414(18) 0.4689(4) 0.66660(16) 0.0551(14) Uani 1 1 d . .
C21 C 0.4097(2) 0.4085(5) 0.70451(18) 0.0693(16) Uani 1 1 d . .
H21 H 0.3961 0.4236 0.7240 0.083 Uiso 1 1 calc R .
C22 C 0.4375(2) 0.3272(5) 0.70764(19) 0.0700(16) Uani 1 1 d . .
H22 H 0.4463 0.2734 0.7290 0.084 Uiso 1 1 calc R .
C23 C 0.4510(2) 0.3370(5) 0.67294(18) 0.0610(14) Uani 1 1 d . .
H23 H 0.4719 0.2914 0.6683 0.073 Uiso 1 1 calc R .
C24 C 0.35338(18) 0.5977(5) 0.67680(17) 0.0569(14) Uani 1 1 d . .
C25 C 0.36497(19) 0.6918(5) 0.69964(18) 0.0619(15) Uani 1 1 d . .
H25 H 0.3892 0.7337 0.6988 0.074 Uiso 1 1 calc R .
C26 C 0.3411(2) 0.7235(5) 0.72340(18) 0.0653(15) Uani 1 1 d . .
H26 H 0.3498 0.7872 0.7391 0.078 Uiso 1 1 calc R .
C27 C 0.2953(2) 0.5796(7) 0.7033(2) 0.0782(19) Uani 1 1 d . .
H27 H 0.2705 0.5400 0.7042 0.094 Uiso 1 1 calc R .
C28 C 0.3184(2) 0.5420(5) 0.67913(19) 0.0690(17) Uani 1 1 d . .
H28 H 0.3096 0.4773 0.6643 0.083 Uiso 1 1 calc R .
C29 C 0.47417(16) 0.5965(4) 0.52697(16) 0.0474(11) Uani 1 1 d . .
H29 H 0.4971 0.6304 0.5518 0.057 Uiso 1 1 calc R .
C30 C 0.46713(18) 0.6164(4) 0.48342(16) 0.0530(13) Uani 1 1 d . .
H30 H 0.4832 0.6651 0.4737 0.064 Uiso 1 1 calc R .
C31 C 0.43216(19) 0.5507(4) 0.45816(16) 0.0523(13) Uani 1 1 d . .
H31 H 0.4197 0.5440 0.4272 0.063 Uiso 1 1 calc R .
C32 C 0.41768(17) 0.4941(4) 0.48634(15) 0.0451(11) Uani 1 1 d . .
C33 C 0.38200(18) 0.4211(4) 0.47354(15) 0.0524(12) Uani 1 1 d . .
C34 C 0.36434(19) 0.3661(5) 0.49995(17) 0.0632(15) Uani 1 1 d . .
C35 C 0.3286(3) 0.2931(6) 0.4861(2) 0.090(2) Uani 1 1 d . .
H35 H 0.3108 0.2700 0.4569 0.108 Uiso 1 1 calc R .
C36 C 0.3241(3) 0.2612(6) 0.5226(2) 0.104(3) Uani 1 1 d . .
H36 H 0.3024 0.2116 0.5234 0.124 Uiso 1 1 calc R .
C37 C 0.3569(2) 0.3137(6) 0.5583(2) 0.0791(19) Uani 1 1 d . .
H37 H 0.3610 0.3055 0.5877 0.095 Uiso 1 1 calc R .
C38 C 0.35795(18) 0.3941(4) 0.42587(15) 0.0525(13) Uani 1 1 d . .
C39 C 0.37820(19) 0.3281(5) 0.40713(16) 0.0620(15) Uani 1 1 d . .
H39 H 0.4086 0.3017 0.4239 0.074 Uiso 1 1 calc R .
C40 C 0.35336(19) 0.2998(5) 0.36265(18) 0.0635(15) Uani 1 1 d . .
H40 H 0.3673 0.2528 0.3501 0.076 Uiso 1 1 calc R .
C41 C 0.29305(18) 0.4035(5) 0.35585(17) 0.0592(14) Uani 1 1 d . .
H41 H 0.2634 0.4320 0.3381 0.071 Uiso 1 1 calc R .
C42 C 0.31514(19) 0.4344(5) 0.39950(16) 0.0593(14) Uani 1 1 d . .
H42 H 0.3007 0.4829 0.4109 0.071 Uiso 1 1 calc R .
In1 In 0.442341(11) 0.46908(3) 0.590171(10) 0.04480(14) Uani 1 1 d . .
N1 N 0.50763(14) 0.5472(3) 0.63327(12) 0.0460(10) Uani 1 1 d . .
N2 N 0.48780(13) 0.3330(3) 0.59781(12) 0.0445(9) Uani 1 1 d . .
N3 N 0.70249(16) 0.3074(4) 0.73943(14) 0.0614(12) Uani 1 1 d . .
N4 N 0.39939(16) 0.6044(4) 0.59016(14) 0.0597(12) Uani 1 1 d . .
N5 N 0.43051(14) 0.4190(4) 0.64754(13) 0.0551(11) Uani 1 1 d . .
N6 N 0.30701(17) 0.6698(5) 0.72540(15) 0.0664(13) Uani 1 1 d . .
N7 N 0.44563(14) 0.5259(3) 0.52950(12) 0.0440(9) Uani 1 1 d . .
N8 N 0.38208(15) 0.3777(4) 0.54551(13) 0.0583(12) Uani 1 1 d . .
N9 N 0.31110(14) 0.3365(4) 0.33767(13) 0.0581(11) Uani 1 1 d . .
P1 P 0.67398(5) -0.00813(12) 0.72486(5) 0.0719(5) Uani 1 1 d G .
F1 F 0.67407(16) -0.10755(18) 0.70661(13) 0.1461(11) Uiso 0.50 1 d PG .
F2 F 0.65945(18) 0.0701(3) 0.68521(10) 0.1461(11) Uiso 0.50 1 d PG .
F3 F 0.62921(10) -0.0296(4) 0.72665(16) 0.1461(11) Uiso 0.50 1 d PG .
F4 F 0.68820(17) 0.0197(4) 0.77474(6) 0.1461(11) Uiso 0.50 1 d PG .
F5 F 0.62685(9) 0.0314(4) 0.72231(17) 0.1461(11) Uiso 0.50 1 d PG .
F6 F 0.71372(10) 0.0550(3) 0.74994(13) 0.1461(11) Uiso 0.50 1 d PG .
F7 F 0.69597(19) -0.0769(3) 0.77170(10) 0.1461(11) Uiso 0.50 1 d PG .
F8 F 0.71659(10) 0.0306(3) 0.76364(11) 0.1461(11) Uiso 0.50 1 d PG .
F9 F 0.62703(9) 0.0509(3) 0.70237(15) 0.1461(11) Uiso 0.50 1 d PG .
F10 F 0.67885(19) 0.0694(3) 0.69198(12) 0.1461(11) Uiso 0.50 1 d PG .
F11 F 0.70478(16) 0.0470(4) 0.70653(15) 0.1461(11) Uiso 0.50 1 d PG .
F12 F 0.64292(15) -0.1053(2) 0.71122(14) 0.1461(11) Uiso 0.50 1 d PG .
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'
F F 0.0171 0.0103 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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
N3 Ag1 N9 126.2(3) . 8_556
N3 Ag1 N6 120.5(3) . 3_545
N9 Ag1 N6 106.8(2) 8_556 3_545
N3 Ag1 F1 105.4(2) . 4_656
N9 Ag1 F1 92.4(4) 8_556 4_656
N6 Ag1 F1 96.7(5) 3_545 4_656
N9 Ag2 N3 129.3(3) 8_556 .
N9 Ag2 N6 111.2(3) 8_556 3_545
N3 Ag2 N6 118.6(3) . 3_545
N9 Ag2 F6 96.1(2) 8_556 .
N3 Ag2 F6 85.1(2) . .
N6 Ag2 F6 99.8(2) 3_545 .
N1 C1 C2 111.9(5) . .
N1 C1 H1 124.1 . .
C2 C1 H1 124.1 . .
C3 C2 C1 105.5(5) . .
C3 C2 H2 127.3 . .
C1 C2 H2 127.3 . .
C2 C3 C4 108.7(5) . .
C2 C3 H3 125.6 . .
C4 C3 H3 125.6 . .
C3 C4 C5 127.4(4) . .
C3 C4 N1 108.3(4) . .
C5 C4 N1 124.4(4) . .
C6 C5 C4 127.9(4) . .
C6 C5 C10 116.5(4) . .
C4 C5 C10 115.6(4) . .
C5 C6 N2 125.7(4) . .
C5 C6 C7 126.8(4) . .
N2 C6 C7 107.5(4) . .
C8 C7 C6 107.2(5) . .
C8 C7 H7 126.4 . .
C6 C7 H7 126.4 . .
C7 C8 C9 107.0(5) . .
C7 C8 H8 126.5 . .
C9 C8 H8 126.5 . .
N2 C9 C8 112.8(5) . .
N2 C9 H9 123.6 . .
C8 C9 H9 123.6 . .
C11 C10 C14 116.6(5) . .
C11 C10 C5 121.5(5) . .
C14 C10 C5 121.8(5) . .
C12 C11 C10 118.7(5) . .
C12 C11 H11 120.6 . .
C10 C11 H11 120.6 . .
N3 C12 C11 124.6(5) . .
N3 C12 H12 117.7 . .
C11 C12 H12 117.7 . .
N3 C13 C14 123.2(6) . .
N3 C13 H13 118.4 . .
C14 C13 H13 118.4 . .
C13 C14 C10 120.1(5) . .
C13 C14 H14 120.0 . .
C10 C14 H14 120.0 . .
N4 C15 C16 111.8(5) . .
N4 C15 H15 124.1 . .
C16 C15 H15 124.1 . .
C17 C16 C15 104.9(6) . .
C17 C16 H16 127.5 . .
C15 C16 H16 127.5 . .
C16 C17 C18 109.3(5) . .
C16 C17 H17 125.4 . .
C18 C17 H17 125.4 . .
C19 C18 C17 127.9(5) . .
C19 C18 N4 124.1(5) . .
C17 C18 N4 107.8(5) . .
C18 C19 C20 129.1(5) . .
C18 C19 C24 115.8(5) . .
C20 C19 C24 115.1(4) . .
C19 C20 N5 125.1(4) . .
C19 C20 C21 128.1(5) . .
N5 C20 C21 106.7(5) . .
C22 C21 C20 108.4(5) . .
C22 C21 H21 125.8 . .
C20 C21 H21 125.8 . .
C21 C22 C23 106.8(5) . .
C21 C22 H22 126.6 . .
C23 C22 H22 126.6 . .
N5 C23 C22 111.2(5) . .
N5 C23 H23 124.4 . .
C22 C23 H23 124.4 . .
C28 C24 C25 117.1(5) . .
C28 C24 C19 122.8(5) . .
C25 C24 C19 120.1(5) . .
C26 C25 C24 119.7(6) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
N6 C26 C25 123.1(6) . .
N6 C26 H26 118.4 . .
C25 C26 H26 118.4 . .
N6 C27 C28 122.1(7) . .
N6 C27 H27 119.0 . .
C28 C27 H27 119.0 . .
C24 C28 C27 120.1(6) . .
C24 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
N7 C29 C30 112.8(5) . .
N7 C29 H29 123.6 . .
C30 C29 H29 123.6 . .
C31 C30 C29 105.1(5) . .
C31 C30 H30 127.5 . .
C29 C30 H30 127.5 . .
C30 C31 C32 108.1(4) . .
C30 C31 H31 125.9 . .
C32 C31 H31 125.9 . .
C33 C32 N7 126.1(4) . .
C33 C32 C31 126.4(5) . .
N7 C32 C31 107.5(5) . .
C32 C33 C34 128.9(4) . .
C32 C33 C38 117.6(5) . .
C34 C33 C38 113.5(5) . .
C35 C34 N8 109.1(5) . .
C35 C34 C33 127.5(5) . .
N8 C34 C33 123.4(5) . .
C36 C35 C34 106.7(6) . .
C36 C35 H35 126.7 . .
C34 C35 H35 126.7 . .
C35 C36 C37 107.8(6) . .
C35 C36 H36 126.1 . .
C37 C36 H36 126.1 . .
N8 C37 C36 110.6(6) . .
N8 C37 H37 124.7 . .
C36 C37 H37 124.7 . .
C42 C38 C39 117.9(5) . .
C42 C38 C33 121.3(5) . .
C39 C38 C33 120.8(4) . .
C38 C39 C40 119.2(5) . .
C38 C39 H39 120.4 . .
C40 C39 H39 120.4 . .
N9 C40 C39 122.4(5) . .
N9 C40 H40 118.8 . .
C39 C40 H40 118.8 . .
N9 C41 C42 123.6(5) . .
N9 C41 H41 118.2 . .
C42 C41 H41 118.2 . .
C38 C42 C41 119.4(5) . .
C38 C42 H42 120.3 . .
C41 C42 H42 120.3 . .
N1 In1 N8 173.38(16) . .
N1 In1 N4 92.83(17) . .
N8 In1 N4 93.59(18) . .
N1 In1 N2 84.20(14) . .
N8 In1 N2 89.55(16) . .
N4 In1 N2 173.93(15) . .
N1 In1 N7 93.11(15) . .
N8 In1 N7 85.22(15) . .
N4 In1 N7 90.79(14) . .
N2 In1 N7 94.66(14) . .
N1 In1 N5 91.26(16) . .
N8 In1 N5 91.01(16) . .
N4 In1 N5 83.88(15) . .
N2 In1 N5 90.87(15) . .
N7 In1 N5 173.27(14) . .
C1 N1 C4 105.7(4) . .
C1 N1 In1 124.7(3) . .
C4 N1 In1 128.6(3) . .
C9 N2 C6 105.5(4) . .
C9 N2 In1 126.7(3) . .
C6 N2 In1 127.8(3) . .
C12 N3 C13 116.8(5) . .
C12 N3 Ag1 125.4(4) . .
C13 N3 Ag1 116.3(4) . .
C12 N3 Ag2 114.7(4) . .
C13 N3 Ag2 124.8(4) . .
C15 N4 C18 106.1(4) . .
C15 N4 In1 124.4(4) . .
C18 N4 In1 129.4(3) . .
C23 N5 C20 106.8(4) . .
C23 N5 In1 124.6(4) . .
C20 N5 In1 128.4(3) . .
C26 N6 C27 117.8(5) . .
C26 N6 Ag2 126.0(4) . 3_455
C27 N6 Ag2 115.9(4) . 3_455
C26 N6 Ag1 114.9(4) . 3_455
C27 N6 Ag1 127.3(4) . 3_455
C29 N7 C32 106.5(4) . .
C29 N7 In1 126.5(3) . .
C32 N7 In1 127.0(3) . .
C37 N8 C34 105.7(5) . .
C37 N8 In1 125.0(4) . .
C34 N8 In1 129.1(4) . .
C41 N9 C40 117.4(4) . .
C41 N9 Ag2 117.9(3) . 8_455
C40 N9 Ag2 124.7(4) . 8_455
C41 N9 Ag1 127.9(3) . 8_455
C40 N9 Ag1 114.2(4) . 8_455
F1 P1 F6 126.9 . .
F1 P1 F3 91.7 . .
F6 P1 F3 134.8 . .
F1 P1 F8 120.3 . .
F3 P1 F8 123.4 . .
F6 P1 F12 158.2 . .
F3 P1 F12 49.6 . .
F8 P1 F12 138.7 . .
F1 P1 F11 96.9 . .
F6 P1 F11 54.8 . .
F3 P1 F11 153.4 . .
F8 P1 F11 72.8 . .
F12 P1 F11 133.9 . .
F1 P1 F10 104.5 . .
F6 P1 F10 74.0 . .
F3 P1 F10 122.9 . .
F8 P1 F10 94.6 . .
F12 P1 F10 124.0 . .
F1 P1 F5 116.9 . .
F6 P1 F5 115.8 . .
F8 P1 F5 115.4 . .
F12 P1 F5 76.5 . .
F11 P1 F5 126.5 . .
F10 P1 F5 98.1 . .
F1 P1 F9 114.1 . .
F6 P1 F9 115.6 . .
F3 P1 F9 50.8 . .
F8 P1 F9 125.6 . .
F12 P1 F9 83.7 . .
F11 P1 F9 103.0 . .
F10 P1 F9 72.9 . .
F1 P1 F2 105.2 . .
F6 P1 F2 90.2 . .
F3 P1 F2 102.5 . .
F8 P1 F2 110.7 . .
F12 P1 F2 110.3 . .
F11 P1 F2 51.0 . .
F5 P1 F2 79.5 . .
F9 P1 F2 53.3 . .
F1 P1 F4 127.6 . .
F6 P1 F4 57.8 . .
F3 P1 F4 80.9 . .
F12 P1 F4 110.9 . .
F11 P1 F4 112.4 . .
F10 P1 F4 123.0 . .
F5 P1 F4 79.4 . .
F9 P1 F4 100.7 . .
F2 P1 F4 127.1 . .
F1 P1 F7 81.7 . .
F6 P1 F7 80.6 . .
F3 P1 F7 83.4 . .
F8 P1 F7 60.1 . .
F12 P1 F7 79.0 . .
F11 P1 F7 122.7 . .
F10 P1 F7 152.1 . .
F5 P1 F7 103.2 . .
F9 P1 F7 130.0 . .
F2 P1 F7 170.7 . .
F12 F1 P1 74.8 . .
F12 F1 Ag1 120.3(3) . 4_646
P1 F1 Ag1 134.2(2) . 4_646
F10 F2 F9 135.0 . .
F11 F2 F9 123.5 . .
F10 F2 P1 76.9 . .
F11 F2 P1 63.0 . .
F9 F2 P1 62.5 . .
F5 F3 F12 134.8 . .
F12 F3 F9 106.7 . .
F5 F3 P1 79.9 . .
F12 F3 P1 67.6 . .
F9 F3 P1 67.6 . .
F8 F4 F7 83.3 . .
F7 F4 F6 94.7 . .
F8 F4 P1 65.2 . .
F7 F4 P1 70.9 . .
F6 F4 P1 56.0 . .
F9 F5 F3 118.5 . .
F9 F5 P1 76.8 . .
F3 F5 P1 69.7 . .
F8 F6 F11 139.6 . .
F8 F6 P1 87.6 . .
F11 F6 P1 66.4 . .
F11 F6 F4 132.4 . .
P1 F6 F4 66.2 . .
F8 F6 Ag2 113.4(3) . .
F11 F6 Ag2 97.6(3) . .
P1 F6 Ag2 158.4(3) . .
F4 F6 Ag2 126.3(3) . .
F4 F7 P1 63.1 . .
F8 F7 P1 54.7 . .
F6 F8 F4 119.8 . .
F6 F8 P1 71.7 . .
F4 F8 P1 72.2 . .
F6 F8 F7 136.4 . .
F4 F8 F7 52.4 . .
P1 F8 F7 65.2 . .
F5 F9 F2 138.4 . .
F3 F9 F2 123.2 . .
F5 F9 P1 76.4 . .
F3 F9 P1 61.6 . .
F2 F9 P1 64.2 . .
F2 F10 F11 155.7 . .
F2 F10 P1 82.5 . .
F11 F10 P1 74.1 . .
F10 F11 F6 108.2 . .
F2 F11 F6 103.9 . .
F10 F11 P1 75.4 . .
F2 F11 P1 66.0 . .
F6 F11 P1 58.8 . .
F1 F12 F3 125.8 . .
F1 F12 P1 63.1 . .
F3 F12 P1 62.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N3 2.245(6) .
Ag1 N9 2.318(6) 8_556
Ag1 N6 2.331(7) 3_545
Ag1 F1 2.43(2) 4_656
Ag2 N9 2.204(6) 8_556
Ag2 N3 2.299(6) .
Ag2 N6 2.320(7) 3_545
Ag2 F6 2.532(4) .
C1 N1 1.347(7) .
C1 C2 1.417(8) .
C1 H1 0.9500 .
C2 C3 1.373(7) .
C2 H2 0.9500 .
C3 C4 1.406(7) .
C3 H3 0.9500 .
C4 C5 1.406(6) .
C4 N1 1.415(6) .
C5 C6 1.399(6) .
C5 C10 1.470(6) .
C6 N2 1.408(6) .
C6 C7 1.440(7) .
C7 C8 1.345(7) .
C7 H7 0.9500 .
C8 C9 1.388(8) .
C8 H8 0.9500 .
C9 N2 1.328(6) .
C9 H9 0.9500 .
C10 C11 1.392(7) .
C10 C14 1.412(7) .
C11 C12 1.389(7) .
C11 H11 0.9500 .
C12 N3 1.318(7) .
C12 H12 0.9500 .
C13 N3 1.356(7) .
C13 C14 1.358(7) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 N4 1.347(7) .
C15 C16 1.413(8) .
C15 H15 0.9500 .
C16 C17 1.380(9) .
C16 H16 0.9500 .
C17 C18 1.395(8) .
C17 H17 0.9500 .
C18 C19 1.388(7) .
C18 N4 1.413(6) .
C19 C20 1.395(7) .
C19 C24 1.496(7) .
C20 N5 1.412(6) .
C20 C21 1.441(7) .
C21 C22 1.344(8) .
C21 H21 0.9500 .
C22 C23 1.415(7) .
C22 H22 0.9500 .
C23 N5 1.339(7) .
C23 H23 0.9500 .
C24 C28 1.354(8) .
C24 C25 1.396(8) .
C25 C26 1.381(7) .
C25 H25 0.9500 .
C26 N6 1.312(8) .
C26 H26 0.9500 .
C27 N6 1.342(9) .
C27 C28 1.398(8) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 N7 1.313(6) .
C29 C30 1.411(7) .
C29 H29 0.9500 .
C30 C31 1.367(8) .
C30 H30 0.9500 .
C31 C32 1.422(7) .
C31 H31 0.9500 .
C32 C33 1.393(7) .
C32 N7 1.403(6) .
C33 C34 1.428(8) .
C33 C38 1.495(6) .
C34 C35 1.392(8) .
C34 N8 1.399(6) .
C35 C36 1.360(10) .
C35 H35 0.9500 .
C36 C37 1.385(9) .
C36 H36 0.9500 .
C37 N8 1.341(7) .
C37 H37 0.9500 .
C38 C42 1.371(7) .
C38 C39 1.373(7) .
C39 C40 1.411(7) .
C39 H39 0.9500 .
C40 N9 1.331(7) .
C40 H40 0.9500 .
C41 N9 1.323(7) .
C41 C42 1.390(7) .
C41 H41 0.9500 .
C42 H42 0.9500 .
In1 N1 2.204(4) .
In1 N8 2.204(4) .
In1 N4 2.214(4) .
In1 N2 2.215(4) .
In1 N7 2.216(4) .
In1 N5 2.219(4) .
N6 Ag2 2.320(7) 3_455
N6 Ag1 2.331(7) 3_455
N9 Ag2 2.204(6) 8_455
N9 Ag1 2.318(6) 8_455
P1 F1 1.4199 .
P1 F6 1.4348 .
P1 F3 1.4781 .
P1 F8 1.5097 .
P1 F12 1.5373 .
P1 F11 1.5377 .
P1 F10 1.5477 .
P1 F5 1.5511 .
P1 F9 1.5537 .
P1 F2 1.5759 .
P1 F4 1.5840 .
P1 F7 1.6790 .
F1 Ag1 2.428(5) 4_646
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
N1 C1 C2 C3 -1.1(7) . .
C1 C2 C3 C4 1.3(7) . .
C2 C3 C4 C5 -179.9(5) . .
C2 C3 C4 N1 -1.0(6) . .
C3 C4 C5 C6 179.3(5) . .
N1 C4 C5 C6 0.7(8) . .
C3 C4 C5 C10 -1.5(7) . .
N1 C4 C5 C10 179.9(4) . .
C4 C5 C6 N2 -4.5(8) . .
C10 C5 C6 N2 176.3(4) . .
C4 C5 C6 C7 173.7(5) . .
C10 C5 C6 C7 -5.5(7) . .
C5 C6 C7 C8 -177.8(5) . .
N2 C6 C7 C8 0.7(5) . .
C6 C7 C8 C9 -0.5(6) . .
C7 C8 C9 N2 0.1(6) . .
C6 C5 C10 C11 -64.1(6) . .
C4 C5 C10 C11 116.6(5) . .
C6 C5 C10 C14 115.7(6) . .
C4 C5 C10 C14 -63.6(6) . .
C14 C10 C11 C12 0.0(7) . .
C5 C10 C11 C12 179.8(5) . .
C10 C11 C12 N3 -1.5(8) . .
N3 C13 C14 C10 -1.4(9) . .
C11 C10 C14 C13 1.3(8) . .
C5 C10 C14 C13 -178.5(5) . .
N4 C15 C16 C17 -1.3(12) . .
C15 C16 C17 C18 2.7(11) . .
C16 C17 C18 C19 -178.9(8) . .
C16 C17 C18 N4 -3.1(9) . .
C17 C18 C19 C20 175.4(7) . .
N4 C18 C19 C20 0.3(10) . .
C17 C18 C19 C24 -5.3(10) . .
N4 C18 C19 C24 179.6(5) . .
C18 C19 C20 N5 -2.1(10) . .
C24 C19 C20 N5 178.6(5) . .
C18 C19 C20 C21 174.5(6) . .
C24 C19 C20 C21 -4.8(9) . .
C19 C20 C21 C22 -177.5(6) . .
N5 C20 C21 C22 -0.4(7) . .
C20 C21 C22 C23 2.0(8) . .
C21 C22 C23 N5 -3.1(8) . .
C18 C19 C24 C28 118.5(6) . .
C20 C19 C24 C28 -62.1(7) . .
C18 C19 C24 C25 -62.5(7) . .
C20 C19 C24 C25 117.0(6) . .
C28 C24 C25 C26 0.4(8) . .
C19 C24 C25 C26 -178.7(5) . .
C24 C25 C26 N6 -0.9(8) . .
C25 C24 C28 C27 0.5(8) . .
C19 C24 C28 C27 179.6(5) . .
N6 C27 C28 C24 -1.0(9) . .
N7 C29 C30 C31 -1.3(6) . .
C29 C30 C31 C32 1.6(5) . .
C30 C31 C32 C33 178.2(5) . .
C30 C31 C32 N7 -1.3(5) . .
N7 C32 C33 C34 3.1(9) . .
C31 C32 C33 C34 -176.4(5) . .
N7 C32 C33 C38 -176.9(4) . .
C31 C32 C33 C38 3.7(8) . .
C32 C33 C34 C35 -179.8(6) . .
C38 C33 C34 C35 0.1(9) . .
C32 C33 C34 N8 -1.0(10) . .
C38 C33 C34 N8 178.9(5) . .
N8 C34 C35 C36 0.7(9) . .
C33 C34 C35 C36 179.6(7) . .
C34 C35 C36 C37 -0.3(10) . .
C35 C36 C37 N8 -0.2(10) . .
C32 C33 C38 C42 -102.0(6) . .
C34 C33 C38 C42 78.0(7) . .
C32 C33 C38 C39 77.9(7) . .
C34 C33 C38 C39 -102.0(7) . .
C42 C38 C39 C40 -3.6(9) . .
C33 C38 C39 C40 176.4(6) . .
C38 C39 C40 N9 1.4(10) . .
C39 C38 C42 C41 3.0(9) . .
C33 C38 C42 C41 -177.0(5) . .
N9 C41 C42 C38 -0.2(10) . .
C2 C1 N1 C4 0.5(6) . .
C2 C1 N1 In1 169.5(4) . .
C3 C4 N1 C1 0.3(6) . .
C5 C4 N1 C1 179.2(5) . .
C3 C4 N1 In1 -168.1(3) . .
C5 C4 N1 In1 10.7(7) . .
N4 In1 N1 C1 -4.5(4) . .
N2 In1 N1 C1 -179.2(4) . .
N7 In1 N1 C1 86.5(4) . .
N5 In1 N1 C1 -88.4(4) . .
N4 In1 N1 C4 162.0(4) . .
N2 In1 N1 C4 -12.7(4) . .
N7 In1 N1 C4 -107.1(4) . .
N5 In1 N1 C4 78.0(4) . .
C8 C9 N2 C6 0.3(6) . .
C8 C9 N2 In1 -178.5(3) . .
C5 C6 N2 C9 177.9(4) . .
C7 C6 N2 C9 -0.6(5) . .
C5 C6 N2 In1 -3.3(7) . .
C7 C6 N2 In1 178.2(3) . .
N1 In1 N2 C9 -172.3(4) . .
N8 In1 N2 C9 5.5(4) . .
N7 In1 N2 C9 -79.6(4) . .
N5 In1 N2 C9 96.5(4) . .
N1 In1 N2 C6 9.2(4) . .
N8 In1 N2 C6 -173.0(4) . .
N7 In1 N2 C6 101.8(4) . .
N5 In1 N2 C6 -82.0(4) . .
C11 C12 N3 C13 1.5(8) . .
C11 C12 N3 Ag1 -164.1(4) . .
C11 C12 N3 Ag2 -157.8(4) . .
C14 C13 N3 C12 0.0(8) . .
C14 C13 N3 Ag1 166.9(5) . .
C14 C13 N3 Ag2 157.0(5) . .
N9 Ag1 N3 C12 -37.2(6) 8_556 .
N6 Ag1 N3 C12 110.5(5) 3_545 .
F1 Ag1 N3 C12 -141.9(6) 4_656 .
N9 Ag1 N3 C13 157.2(4) 8_556 .
N6 Ag1 N3 C13 -55.1(5) 3_545 .
F1 Ag1 N3 C13 52.4(7) 4_656 .
N9 Ag1 N3 Ag2 -65.7(11) 8_556 .
N6 Ag1 N3 Ag2 82.0(12) 3_545 .
F1 Ag1 N3 Ag2 -170.5(14) 4_656 .
N9 Ag2 N3 C12 -64.6(5) 8_556 .
N6 Ag2 N3 C12 127.8(4) 3_545 .
F6 Ag2 N3 C12 29.3(4) . .
N9 Ag2 N3 C13 138.0(5) 8_556 .
N6 Ag2 N3 C13 -29.6(6) 3_545 .
F6 Ag2 N3 C13 -128.1(5) . .
N9 Ag2 N3 Ag1 90.1(12) 8_556 .
N6 Ag2 N3 Ag1 -77.6(12) 3_545 .
F6 Ag2 N3 Ag1 -176.0(13) . .
C16 C15 N4 C18 -0.6(10) . .
C16 C15 N4 In1 175.0(6) . .
C19 C18 N4 C15 178.2(7) . .
C17 C18 N4 C15 2.3(8) . .
C19 C18 N4 In1 2.9(9) . .
C17 C18 N4 In1 -173.1(5) . .
N1 In1 N4 C15 91.4(6) . .
N8 In1 N4 C15 -87.0(6) . .
N7 In1 N4 C15 -1.7(6) . .
N5 In1 N4 C15 -177.6(6) . .
N1 In1 N4 C18 -94.0(5) . .
N8 In1 N4 C18 87.6(5) . .
N7 In1 N4 C18 172.9(5) . .
N5 In1 N4 C18 -3.0(5) . .
C22 C23 N5 C20 2.8(7) . .
C22 C23 N5 In1 178.2(4) . .
C19 C20 N5 C23 175.8(6) . .
C21 C20 N5 C23 -1.5(6) . .
C19 C20 N5 In1 0.6(8) . .
C21 C20 N5 In1 -176.6(4) . .
N1 In1 N5 C23 -80.3(5) . .
N8 In1 N5 C23 93.5(5) . .
N4 In1 N5 C23 -173.0(5) . .
N2 In1 N5 C23 3.9(5) . .
N1 In1 N5 C20 94.1(5) . .
N8 In1 N5 C20 -92.2(5) . .
N4 In1 N5 C20 1.3(4) . .
N2 In1 N5 C20 178.3(5) . .
C25 C26 N6 C27 0.4(8) . .
C25 C26 N6 Ag2 174.4(4) . 3_455
C25 C26 N6 Ag1 178.7(4) . 3_455
C28 C27 N6 C26 0.6(9) . .
C28 C27 N6 Ag2 -174.1(5) . 3_455
C28 C27 N6 Ag1 -177.5(4) . 3_455
C30 C29 N7 C32 0.5(5) . .
C30 C29 N7 In1 -179.3(3) . .
C33 C32 N7 C29 -179.0(5) . .
C31 C32 N7 C29 0.5(5) . .
C33 C32 N7 In1 0.7(7) . .
C31 C32 N7 In1 -179.7(3) . .
N1 In1 N7 C29 -10.6(4) . .
N8 In1 N7 C29 175.9(4) . .
N4 In1 N7 C29 82.3(4) . .
N2 In1 N7 C29 -95.0(4) . .
N1 In1 N7 C32 169.7(4) . .
N8 In1 N7 C32 -3.9(4) . .
N4 In1 N7 C32 -97.4(4) . .
N2 In1 N7 C32 85.3(4) . .
C36 C37 N8 C34 0.6(8) . .
C36 C37 N8 In1 -174.7(5) . .
C35 C34 N8 C37 -0.8(7) . .
C33 C34 N8 C37 -179.7(6) . .
C35 C34 N8 In1 174.3(5) . .
C33 C34 N8 In1 -4.7(9) . .
N4 In1 N8 C37 -89.5(5) . .
N2 In1 N8 C37 85.3(5) . .
N7 In1 N8 C37 180.0(5) . .
N5 In1 N8 C37 -5.6(5) . .
N4 In1 N8 C34 96.3(5) . .
N2 In1 N8 C34 -88.9(5) . .
N7 In1 N8 C34 5.8(5) . .
N5 In1 N8 C34 -179.8(5) . .
C42 C41 N9 C40 -2.0(9) . .
C42 C41 N9 Ag2 177.0(5) . 8_455
C42 C41 N9 Ag1 169.6(5) . 8_455
C39 C40 N9 C41 1.4(9) . .
C39 C40 N9 Ag2 -177.5(5) . 8_455
C39 C40 N9 Ag1 -171.4(5) . 8_455
F6 P1 F1 F12 154.3 . .
F3 P1 F1 F12 -0.3 . .
F8 P1 F1 F12 130.7 . .
F11 P1 F1 F12 -155.2 . .
F10 P1 F1 F12 -125.1 . .
F5 P1 F1 F12 -18.0 . .
F9 P1 F1 F12 -47.6 . .
F2 P1 F1 F12 -103.7 . .
F4 P1 F1 F12 79.5 . .
F7 P1 F1 F12 82.7 . .
F6 P1 F1 Ag1 36.5(4) . 4_646
F3 P1 F1 Ag1 -118.1(4) . 4_646
F8 P1 F1 Ag1 12.9(4) . 4_646
F12 P1 F1 Ag1 -117.7(4) . 4_646
F11 P1 F1 Ag1 87.1(4) . 4_646
F10 P1 F1 Ag1 117.2(4) . 4_646
F5 P1 F1 Ag1 -135.7(4) . 4_646
F9 P1 F1 Ag1 -165.3(4) . 4_646
F2 P1 F1 Ag1 138.5(4) . 4_646
F4 P1 F1 Ag1 -38.3(4) . 4_646
F7 P1 F1 Ag1 -35.0(4) . 4_646
F1 P1 F2 F10 -91.0 . .
F6 P1 F2 F10 37.5 . .
F3 P1 F2 F10 173.7 . .
F8 P1 F2 F10 40.4 . .
F12 P1 F2 F10 -135.0 . .
F11 P1 F2 F10 -4.3 . .
F5 P1 F2 F10 153.8 . .
F9 P1 F2 F10 160.0 . .
F4 P1 F2 F10 85.8 . .
F1 P1 F2 F11 -86.7 . .
F6 P1 F2 F11 41.8 . .
F3 P1 F2 F11 178.0 . .
F8 P1 F2 F11 44.7 . .
F12 P1 F2 F11 -130.7 . .
F10 P1 F2 F11 4.3 . .
F5 P1 F2 F11 158.1 . .
F9 P1 F2 F11 164.3 . .
F4 P1 F2 F11 90.1 . .
F1 P1 F2 F9 109.0 . .
F6 P1 F2 F9 -122.5 . .
F3 P1 F2 F9 13.7 . .
F8 P1 F2 F9 -119.6 . .
F12 P1 F2 F9 65.0 . .
F11 P1 F2 F9 -164.3 . .
F10 P1 F2 F9 -160.0 . .
F5 P1 F2 F9 -6.2 . .
F4 P1 F2 F9 -74.2 . .
F1 P1 F3 F5 -147.6 . .
F6 P1 F3 F5 61.3 . .
F8 P1 F3 F5 83.7 . .
F12 P1 F3 F5 -147.9 . .
F11 P1 F3 F5 -38.3 . .
F10 P1 F3 F5 -39.1 . .
F9 P1 F3 F5 -27.5 . .
F2 P1 F3 F5 -41.7 . .
F4 P1 F3 F5 84.5 . .
F7 P1 F3 F5 130.9 . .
F1 P1 F3 F12 0.3 . .
F6 P1 F3 F12 -150.8 . .
F8 P1 F3 F12 -128.4 . .
F11 P1 F3 F12 109.6 . .
F10 P1 F3 F12 108.8 . .
F5 P1 F3 F12 147.9 . .
F9 P1 F3 F12 120.4 . .
F2 P1 F3 F12 106.2 . .
F4 P1 F3 F12 -127.6 . .
F7 P1 F3 F12 -81.2 . .
F1 P1 F3 F9 -120.2 . .
F6 P1 F3 F9 88.7 . .
F8 P1 F3 F9 111.2 . .
F12 P1 F3 F9 -120.4 . .
F11 P1 F3 F9 -10.8 . .
F10 P1 F3 F9 -11.6 . .
F5 P1 F3 F9 27.5 . .
F2 P1 F3 F9 -14.2 . .
F4 P1 F3 F9 112.0 . .
F7 P1 F3 F9 158.4 . .
F1 P1 F4 F8 95.9 . .
F6 P1 F4 F8 -18.3 . .
F3 P1 F4 F8 -179.0 . .
F12 P1 F4 F8 140.7 . .
F11 P1 F4 F8 -23.0 . .
F10 P1 F4 F8 -55.5 . .
F5 P1 F4 F8 -148.2 . .
F9 P1 F4 F8 -132.0 . .
F2 P1 F4 F8 -80.2 . .
F7 P1 F4 F8 91.4 . .
F1 P1 F4 F7 4.4 . .
F6 P1 F4 F7 -109.8 . .
F3 P1 F4 F7 89.6 . .
F8 P1 F4 F7 -91.4 . .
F12 P1 F4 F7 49.3 . .
F11 P1 F4 F7 -114.4 . .
F10 P1 F4 F7 -146.9 . .
F5 P1 F4 F7 120.3 . .
F9 P1 F4 F7 136.6 . .
F2 P1 F4 F7 -171.7 . .
F1 P1 F4 F6 114.2 . .
F3 P1 F4 F6 -160.7 . .
F8 P1 F4 F6 18.3 . .
F12 P1 F4 F6 159.1 . .
F11 P1 F4 F6 -4.7 . .
F10 P1 F4 F6 -37.2 . .
F5 P1 F4 F6 -129.9 . .
F9 P1 F4 F6 -113.6 . .
F2 P1 F4 F6 -61.9 . .
F7 P1 F4 F6 109.8 . .
F12 F3 F5 F9 17.7 . .
P1 F3 F5 F9 61.5 . .
F12 F3 F5 P1 -43.8 . .
F9 F3 F5 P1 -61.5 . .
F1 P1 F5 F9 -90.6 . .
F6 P1 F5 F9 96.2 . .
F3 P1 F5 F9 -127.5 . .
F8 P1 F5 F9 119.2 . .
F12 P1 F5 F9 -102.9 . .
F11 P1 F5 F9 32.3 . .
F10 P1 F5 F9 20.2 . .
F2 P1 F5 F9 11.2 . .
F4 P1 F5 F9 142.4 . .
F7 P1 F5 F9 -178.0 . .
F1 P1 F5 F3 36.9 . .
F6 P1 F5 F3 -136.2 . .
F8 P1 F5 F3 -113.3 . .
F12 P1 F5 F3 24.6 . .
F11 P1 F5 F3 159.8 . .
F10 P1 F5 F3 147.7 . .
F9 P1 F5 F3 127.5 . .
F2 P1 F5 F3 138.7 . .
F4 P1 F5 F3 -90.1 . .
F7 P1 F5 F3 -50.4 . .
F1 P1 F6 F8 -78.3 . .
F3 P1 F6 F8 64.5 . .
F12 P1 F6 F8 -26.8 . .
F11 P1 F6 F8 -148.2 . .
F10 P1 F6 F8 -174.7 . .
F5 P1 F6 F8 94.0 . .
F9 P1 F6 F8 123.8 . .
F2 P1 F6 F8 172.4 . .
F4 P1 F6 F8 37.1 . .
F7 P1 F6 F8 -6.2 . .
F1 P1 F6 F11 69.8 . .
F3 P1 F6 F11 -147.3 . .
F8 P1 F6 F11 148.2 . .
F12 P1 F6 F11 121.4 . .
F10 P1 F6 F11 -26.5 . .
F5 P1 F6 F11 -117.8 . .
F9 P1 F6 F11 -88.0 . .
F2 P1 F6 F11 -39.4 . .
F4 P1 F6 F11 -174.7 . .
F7 P1 F6 F11 141.9 . .
F1 P1 F6 F4 -115.5 . .
F3 P1 F6 F4 27.4 . .
F8 P1 F6 F4 -37.1 . .
F12 P1 F6 F4 -63.9 . .
F11 P1 F6 F4 174.7 . .
F10 P1 F6 F4 148.2 . .
F5 P1 F6 F4 56.9 . .
F9 P1 F6 F4 86.7 . .
F2 P1 F6 F4 135.3 . .
F7 P1 F6 F4 -43.4 . .
F1 P1 F6 Ag2 114.5(8) . .
F3 P1 F6 Ag2 -102.7(8) . .
F8 P1 F6 Ag2 -167.2(8) . .
F12 P1 F6 Ag2 166.0(8) . .
F11 P1 F6 Ag2 44.6(8) . .
F10 P1 F6 Ag2 18.1(8) . .
F5 P1 F6 Ag2 -73.2(8) . .
F9 P1 F6 Ag2 -43.4(8) . .
F2 P1 F6 Ag2 5.2(8) . .
F4 P1 F6 Ag2 -130.1(8) . .
F7 P1 F6 Ag2 -173.4(8) . .
F7 F4 F6 F8 -52.0 . .
P1 F4 F6 F8 -115.2 . .
F8 F4 F6 F11 121.7 . .
F7 F4 F6 F11 69.7 . .
P1 F4 F6 F11 6.6 . .
F8 F4 F6 P1 115.2 . .
F7 F4 F6 P1 63.2 . .
F8 F4 F6 Ag2 -85.3(3) . .
F7 F4 F6 Ag2 -137.3(3) . .
P1 F4 F6 Ag2 159.6(3) . .
N9 Ag2 F6 F8 4.3(3) 8_556 .
N3 Ag2 F6 F8 -124.7(3) . .
N6 Ag2 F6 F8 117.1(3) 3_545 .
N9 Ag2 F6 F11 -149.1(2) 8_556 .
N3 Ag2 F6 F11 81.9(2) . .
N6 Ag2 F6 F11 -36.3(3) 3_545 .
N9 Ag2 F6 P1 170.4(7) 8_556 .
N3 Ag2 F6 P1 41.4(8) . .
N6 Ag2 F6 P1 -76.9(8) 3_545 .
N9 Ag2 F6 F4 50.7(4) 8_556 .
N3 Ag2 F6 F4 -78.3(3) . .
N6 Ag2 F6 F4 163.4(3) 3_545 .
F6 F4 F7 F8 14.5 . .
P1 F4 F7 F8 66.0 . .
F8 F4 F7 P1 -66.0 . .
F6 F4 F7 P1 -51.5 . .
F1 P1 F7 F4 -176.4 . .
F6 P1 F7 F4 53.8 . .
F3 P1 F7 F4 -83.7 . .
F8 P1 F7 F4 51.3 . .
F12 P1 F7 F4 -133.8 . .
F11 P1 F7 F4 90.6 . .
F10 P1 F7 F4 78.1 . .
F5 P1 F7 F4 -60.6 . .
F9 P1 F7 F4 -61.8 . .
F1 P1 F7 F8 132.3 . .
F6 P1 F7 F8 2.5 . .
F3 P1 F7 F8 -135.0 . .
F12 P1 F7 F8 174.9 . .
F11 P1 F7 F8 39.3 . .
F10 P1 F7 F8 26.8 . .
F5 P1 F7 F8 -111.9 . .
F9 P1 F7 F8 -113.1 . .
F4 P1 F7 F8 -51.3 . .
F11 F6 F8 F4 -104.2 . .
P1 F6 F8 F4 -56.0 . .
Ag2 F6 F8 F4 118.9(3) . .
F11 F6 F8 P1 -48.2 . .
F4 F6 F8 P1 56.0 . .
Ag2 F6 F8 P1 174.9(3) . .
F11 F6 F8 F7 -38.8 . .
P1 F6 F8 F7 9.4 . .
F4 F6 F8 F7 65.4 . .
Ag2 F6 F8 F7 -175.7(3) . .
F7 F4 F8 F6 127.7 . .
P1 F4 F8 F6 55.7 . .
F7 F4 F8 P1 72.0 . .
F6 F4 F8 P1 -55.7 . .
F6 F4 F8 F7 -127.7 . .
P1 F4 F8 F7 -72.0 . .
F1 P1 F8 F6 114.9 . .
F3 P1 F8 F6 -129.8 . .
F12 P1 F8 F6 165.3 . .
F11 P1 F8 F6 26.8 . .
F10 P1 F8 F6 5.1 . .
F5 P1 F8 F6 -96.0 . .
F9 P1 F8 F6 -67.1 . .
F2 P1 F8 F6 -8.1 . .
F4 P1 F8 F6 -131.0 . .
F7 P1 F8 F6 172.9 . .
F1 P1 F8 F4 -114.2 . .
F6 P1 F8 F4 131.0 . .
F3 P1 F8 F4 1.2 . .
F12 P1 F8 F4 -63.7 . .
F11 P1 F8 F4 157.8 . .
F10 P1 F8 F4 136.1 . .
F5 P1 F8 F4 34.9 . .
F9 P1 F8 F4 63.9 . .
F2 P1 F8 F4 122.9 . .
F7 P1 F8 F4 -56.1 . .
F1 P1 F8 F7 -58.0 . .
F6 P1 F8 F7 -172.9 . .
F3 P1 F8 F7 57.3 . .
F12 P1 F8 F7 -7.6 . .
F11 P1 F8 F7 -146.1 . .
F10 P1 F8 F7 -167.8 . .
F5 P1 F8 F7 91.1 . .
F9 P1 F8 F7 120.0 . .
F2 P1 F8 F7 179.0 . .
F4 P1 F8 F7 56.1 . .
F4 F7 F8 F6 -95.9 . .
P1 F7 F8 F6 -9.8 . .
P1 F7 F8 F4 86.1 . .
F4 F7 F8 P1 -86.1 . .
P1 F5 F9 F3 57.9 . .
F3 F5 F9 F2 -76.6 . .
P1 F5 F9 F2 -18.7 . .
F3 F5 F9 P1 -57.9 . .
F12 F3 F9 F5 -167.0 . .
P1 F3 F9 F5 -110.6 . .
F5 F3 F9 F2 129.4 . .
F12 F3 F9 F2 -37.6 . .
P1 F3 F9 F2 18.8 . .
F5 F3 F9 P1 110.6 . .
F12 F3 F9 P1 -56.4 . .
F10 F2 F9 F5 -7.8 . .
F11 F2 F9 F5 3.5 . .
P1 F2 F9 F5 20.3 . .
F10 F2 F9 F3 -46.4 . .
F11 F2 F9 F3 -35.1 . .
P1 F2 F9 F3 -18.3 . .
F10 F2 F9 P1 -28.1 . .
F11 F2 F9 P1 -16.8 . .
F1 P1 F9 F5 102.4 . .
F6 P1 F9 F5 -96.9 . .
F3 P1 F9 F5 31.1 . .
F8 P1 F9 F5 -75.8 . .
F12 P1 F9 F5 72.5 . .
F11 P1 F9 F5 -153.8 . .
F10 P1 F9 F5 -159.0 . .
F2 P1 F9 F5 -166.3 . .
F4 P1 F9 F5 -37.6 . .
F7 P1 F9 F5 2.6 . .
F1 P1 F9 F3 71.2 . .
F6 P1 F9 F3 -128.0 . .
F8 P1 F9 F3 -106.9 . .
F12 P1 F9 F3 41.4 . .
F11 P1 F9 F3 175.1 . .
F10 P1 F9 F3 169.8 . .
F5 P1 F9 F3 -31.1 . .
F2 P1 F9 F3 162.6 . .
F4 P1 F9 F3 -68.7 . .
F7 P1 F9 F3 -28.5 . .
F1 P1 F9 F2 -91.4 . .
F6 P1 F9 F2 69.3 . .
F3 P1 F9 F2 -162.6 . .
F8 P1 F9 F2 90.5 . .
F12 P1 F9 F2 -121.2 . .
F11 P1 F9 F2 12.5 . .
F10 P1 F9 F2 7.2 . .
F5 P1 F9 F2 166.3 . .
F4 P1 F9 F2 128.7 . .
F7 P1 F9 F2 168.9 . .
F9 F2 F10 F11 41.0 . .
P1 F2 F10 F11 15.6 . .
F11 F2 F10 P1 -15.6 . .
F9 F2 F10 P1 25.4 . .
F1 P1 F10 F2 94.5 . .
F6 P1 F10 F2 -140.7 . .
F3 P1 F10 F2 -7.3 . .
F8 P1 F10 F2 -142.5 . .
F12 P1 F10 F2 53.1 . .
F11 P1 F10 F2 173.4 . .
F5 P1 F10 F2 -26.0 . .
F9 P1 F10 F2 -16.7 . .
F4 P1 F10 F2 -108.5 . .
F7 P1 F10 F2 -165.6 . .
F1 P1 F10 F11 -78.9 . .
F6 P1 F10 F11 45.9 . .
F3 P1 F10 F11 179.3 . .
F8 P1 F10 F11 44.1 . .
F12 P1 F10 F11 -120.3 . .
F5 P1 F10 F11 160.6 . .
F9 P1 F10 F11 169.9 . .
F2 P1 F10 F11 -173.4 . .
F4 P1 F10 F11 78.1 . .
F7 P1 F10 F11 21.0 . .
P1 F10 F11 F2 16.1 . .
F2 F10 F11 F6 -65.7 . .
P1 F10 F11 F6 -49.6 . .
F2 F10 F11 P1 -16.1 . .
F9 F2 F11 F10 -146.2 . .
P1 F2 F11 F10 -162.9 . .
F10 F2 F11 F6 116.9 . .
F9 F2 F11 F6 -29.3 . .
P1 F2 F11 F6 -46.0 . .
F10 F2 F11 P1 162.9 . .
F9 F2 F11 P1 16.7 . .
F8 F6 F11 F10 113.9 . .
P1 F6 F11 F10 59.5 . .
F4 F6 F11 F10 52.9 . .
Ag2 F6 F11 F10 -105.4(3) . .
F8 F6 F11 F2 104.6 . .
P1 F6 F11 F2 50.2 . .
F4 F6 F11 F2 43.6 . .
Ag2 F6 F11 F2 -114.7(3) . .
F8 F6 F11 P1 54.4 . .
F4 F6 F11 P1 -6.6 . .
Ag2 F6 F11 P1 -164.9(3) . .
F1 P1 F11 F10 106.9 . .
F6 P1 F11 F10 -122.3 . .
F3 P1 F11 F10 -1.3 . .
F8 P1 F11 F10 -133.5 . .
F12 P1 F11 F10 83.9 . .
F5 P1 F11 F10 -24.2 . .
F9 P1 F11 F10 -9.9 . .
F2 P1 F11 F10 3.0 . .
F4 P1 F11 F10 -117.4 . .
F7 P1 F11 F10 -168.5 . .
F1 P1 F11 F2 103.9 . .
F6 P1 F11 F2 -125.2 . .
F3 P1 F11 F2 -4.3 . .
F8 P1 F11 F2 -136.5 . .
F12 P1 F11 F2 80.9 . .
F10 P1 F11 F2 -3.0 . .
F5 P1 F11 F2 -27.2 . .
F9 P1 F11 F2 -12.9 . .
F4 P1 F11 F2 -120.4 . .
F7 P1 F11 F2 -171.5 . .
F1 P1 F11 F6 -130.9 . .
F3 P1 F11 F6 121.0 . .
F8 P1 F11 F6 -11.2 . .
F12 P1 F11 F6 -153.9 . .
F10 P1 F11 F6 122.3 . .
F5 P1 F11 F6 98.1 . .
F9 P1 F11 F6 112.4 . .
F2 P1 F11 F6 125.2 . .
F4 P1 F11 F6 4.8 . .
F7 P1 F11 F6 -46.3 . .
P1 F1 F12 F3 0.5 . .
Ag1 F1 F12 F3 133.2(3) 4_646 .
Ag1 F1 F12 P1 132.8(3) 4_646 .
F5 F3 F12 F1 47.0 . .
F9 F3 F12 F1 55.9 . .
P1 F3 F12 F1 -0.5 . .
F5 F3 F12 P1 47.5 . .
F9 F3 F12 P1 56.3 . .
F6 P1 F12 F1 -69.1 . .
F3 P1 F12 F1 179.6 . .
F8 P1 F12 F1 -83.1 . .
F11 P1 F12 F1 35.4 . .
F10 P1 F12 F1 72.9 . .
F5 P1 F12 F1 163.6 . .
F9 P1 F12 F1 137.3 . .
F2 P1 F12 F1 90.3 . .
F4 P1 F12 F1 -123.6 . .
F7 P1 F12 F1 -89.8 . .
F1 P1 F12 F3 -179.6 . .
F6 P1 F12 F3 111.3 . .
F8 P1 F12 F3 97.3 . .
F11 P1 F12 F3 -144.2 . .
F10 P1 F12 F3 -106.7 . .
F5 P1 F12 F3 -16.0 . .
F9 P1 F12 F3 -42.3 . .
F2 P1 F12 F3 -89.3 . .
F4 P1 F12 F3 56.8 . .
F7 P1 F12 F3 90.6 . .
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 -0.010 0.387 -0.034 5701.7 1357.0
