#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:48:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180016 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/10/7031091.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_7031091
loop_
_publ_author_name
'Zhao, Xiao-Li'
'Mak, Thomas C. W.'
_publ_section_title
;
 Silver cages with encapsulated acetylenediide as building blocks for
 hydrothermal synthesis of supramolecular complexes with n-cyanopyridine
 and pyridine-n-carboxamide (n=3, 4).
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3212
_journal_page_last               3217
_journal_paper_doi               10.1039/B406711H
_journal_year                    2004
_chemical_formula_sum            'C26 H8 Ag8 F18 N4 O12'
_chemical_formula_weight         1773.32
_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                 120.9230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8682(17)
_cell_length_b                   27.0056(18)
_cell_length_c                   13.9584(9)
_cell_measurement_temperature    293(2)
_cell_volume                     8365.1(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0811
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7545
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    3.804
_exptl_absorpt_process_details   'empirical absorption'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.816
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6608
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.561
_refine_diff_density_min         -1.110
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         7373
_refine_ls_number_restraints     138
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1158
_refine_ls_R_factor_gt           0.0546
_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)+(0.0926P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1740
_reflns_number_gt                4477
_reflns_number_total             7373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b406711h.txt
_cod_data_source_block           compound_4
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7031091
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_assembly
_atom_site_disorder_group
Ag1 Ag 0.15888(5) 0.17584(4) 0.32411(7) 0.0593(3) Uani 1 1 d . . .
Ag2 Ag 0.05394(6) 0.23980(4) 0.19029(8) 0.0783(4) Uani 1 1 d . . .
Ag3 Ag 0.06186(5) 0.31438(4) 0.37194(8) 0.0612(3) Uani 1 1 d . . .
Ag4 Ag 0.18457(5) 0.30442(3) 0.56335(8) 0.0562(3) Uani 1 1 d . . .
Ag5 Ag 0.11037(7) 0.19206(4) 0.48003(10) 0.0814(4) Uani 1 1 d . . .
Ag6 Ag 0.24175(5) 0.21065(4) 0.56444(8) 0.0619(3) Uani 1 1 d . . .
Ag7 Ag 0.12388(5) 0.33233(4) 0.24551(9) 0.0727(4) Uani 1 1 d . . .
Ag8 Ag 0.22533(5) -0.10915(4) 0.68666(8) 0.0596(3) Uani 1 1 d . . .
C1 C 0.1278(6) 0.2701(5) 0.3473(10) 0.057(3) Uani 1 1 d . . .
C2 C 0.1629(6) 0.2461(5) 0.4264(9) 0.058(3) Uani 1 1 d . . .
N1 N 0.1369(5) 0.1363(4) 0.6199(8) 0.060(3) Uani 1 1 d . . .
N2 N 0.1858(6) -0.0348(5) 0.6835(11) 0.081(4) Uani 1 1 d . . .
C3 C 0.1471(6) 0.0884(5) 0.6135(11) 0.059(3) Uani 1 1 d . . .
H3A H 0.1452 0.0767 0.5492 0.071 Uiso 1 1 calc R . .
C4 C 0.1604(6) 0.0555(4) 0.6996(10) 0.060(3) Uani 1 1 d . . .
C5 C 0.1633(8) 0.0723(5) 0.7952(12) 0.085(5) Uani 1 1 d . . .
H5A H 0.1721 0.0506 0.8535 0.102 Uiso 1 1 calc R . .
C6 C 0.1528(9) 0.1219(6) 0.8033(13) 0.096(6) Uani 1 1 d . . .
H6A H 0.1544 0.1342 0.8670 0.115 Uiso 1 1 calc R . .
C7 C 0.1399(8) 0.1531(5) 0.7142(11) 0.082(5) Uani 1 1 d . . .
H7A H 0.1331 0.1865 0.7196 0.099 Uiso 1 1 calc R . .
C8 C 0.1744(7) 0.0050(5) 0.6922(12) 0.068(4) Uani 1 1 d . . .
N3 N 0.3825(5) -0.1247(3) 0.3940(8) 0.052(3) Uani 1 1 d . . .
N4 N 0.2688(6) -0.1083(5) 0.5743(10) 0.078(4) Uani 1 1 d . . .
C9 C 0.3401(6) -0.1253(4) 0.4200(10) 0.054(3) Uani 1 1 d . . .
H9A H 0.3037 -0.1410 0.3723 0.065 Uiso 1 1 calc R . .
C10 C 0.3486(6) -0.1033(4) 0.5170(10) 0.051(3) Uani 1 1 d . . .
C11 C 0.4031(6) -0.0816(5) 0.5889(9) 0.058(3) Uani 1 1 d . . .
H11A H 0.4100 -0.0673 0.6551 0.069 Uiso 1 1 calc R . .
C12 C 0.4473(6) -0.0811(5) 0.5624(10) 0.063(4) Uani 1 1 d . . .
H12A H 0.4841 -0.0658 0.6086 0.076 Uiso 1 1 calc R . .
C13 C 0.4350(6) -0.1043(4) 0.4647(10) 0.053(3) Uani 1 1 d . . .
H13A H 0.4654 -0.1055 0.4478 0.063 Uiso 1 1 calc R . .
C14 C 0.3025(7) -0.1062(5) 0.5471(11) 0.062(3) Uani 1 1 d . . .
O3 O 0.1786(5) 0.3799(3) 0.6268(7) 0.068(3) Uani 1 1 d . . .
O4 O 0.0841(4) 0.3842(3) 0.4941(8) 0.074(3) Uani 1 1 d . . .
C17 C 0.1302(6) 0.3994(4) 0.5770(10) 0.046(3) Uani 1 1 d . . .
C18 C 0.1239(7) 0.4482(5) 0.6245(10) 0.059(3) Uani 1 1 d . . .
F21 F 0.0739(7) 0.4715(4) 0.5589(10) 0.178(7) Uani 1 1 d . . .
F22 F 0.1628(7) 0.4789(4) 0.6415(16) 0.187(8) Uani 1 1 d . . .
F23 F 0.1239(9) 0.4444(4) 0.7135(11) 0.191(8) Uani 1 1 d . . .
O5 O 0.0269(5) 0.1811(4) 0.0585(8) 0.083(3) Uani 1 1 d . . .
O6 O 0.1168(5) 0.1435(4) 0.1482(8) 0.077(3) Uani 1 1 d . . .
C19 C 0.0658(7) 0.1511(5) 0.0694(11) 0.070(4) Uani 1 1 d . . .
C20 C 0.0443(14) 0.1174(10) -0.0330(18) 0.132(9) Uani 1 1 d . . .
F31 F 0.0115(12) 0.0859(9) -0.044(2) 0.33(2) Uani 1 1 d . . .
F32 F 0.0210(11) 0.1427(7) -0.1226(10) 0.264(14) Uani 1 1 d . . .
F33 F 0.0898(6) 0.0987(6) -0.0383(10) 0.161(6) Uani 1 1 d . . .
O7 O 0.0986(5) 0.2572(3) 0.5921(8) 0.072(3) Uani 1 1 d . . .
O8 O 0.0105(4) 0.2913(3) 0.4676(7) 0.069(2) Uani 1 1 d . . .
C21 C 0.0510(7) 0.2771(4) 0.5625(10) 0.055(3) Uani 1 1 d . . .
C22 C 0.0400(10) 0.2867(7) 0.6565(15) 0.091(5) Uani 1 1 d . . .
F41 F 0.0640(8) 0.3285(6) 0.7062(12) 0.189(7) Uani 1 1 d . . .
F42 F 0.0590(7) 0.2536(5) 0.7318(10) 0.176(7) Uani 1 1 d . . .
F43 F -0.0148(7) 0.2967(6) 0.6250(11) 0.152(5) Uani 1 1 d . . .
O9 O 0.2102(5) 0.1056(4) 0.4159(8) 0.098(4) Uani 1 1 d . . .
O10 O 0.2747(5) 0.1306(3) 0.5887(8) 0.082(3) Uani 1 1 d . . .
C23 C 0.2501(6) 0.1001(5) 0.5145(11) 0.053(3) Uani 1 1 d . A .
C24 C 0.2705(6) 0.0464(5) 0.5479(10) 0.075(4) Uani 1 1 d D . .
F51 F 0.2297(15) 0.0196(8) 0.543(4) 0.18(2) Uani 0.50 1 d PD A 1
F52 F 0.2827(15) 0.0273(8) 0.479(2) 0.119(11) Uani 0.50 1 d PD A 1
F53 F 0.3161(15) 0.0404(13) 0.642(2) 0.20(3) Uani 0.50 1 d PD A 1
F51' F 0.2325(17) 0.0153(12) 0.486(3) 0.33(5) Uani 0.50 1 d PD A 2
F52' F 0.3195(14) 0.0351(15) 0.556(3) 0.18(2) Uani 0.50 1 d PD A 2
F53' F 0.2796(14) 0.0378(10) 0.6447(16) 0.099(9) Uani 0.50 1 d PD A 2
O11 O 0.0174(9) 0.3727(6) 0.2256(14) 0.058(4) Uani 0.50 1 d PDU . .
O12 O -0.0520(9) 0.4062(8) 0.2540(15) 0.076(6) Uani 0.50 1 d PDU . .
C25 C -0.0079(11) 0.4063(7) 0.244(2) 0.049(5) Uani 0.50 1 d PDU . .
C26 C 0.0167(11) 0.4551(10) 0.2479(17) 0.103(11) Uani 0.50 1 d PDU . .
F61 F -0.0123(14) 0.4937(8) 0.261(3) 0.157(12) Uani 0.50 1 d PDU . .
F62 F 0.0181(11) 0.4684(7) 0.1565(15) 0.124(8) Uani 0.50 1 d PDU . .
F63 F 0.0738(11) 0.4632(8) 0.3308(18) 0.194(14) Uani 0.50 1 d PDU . .
O13 O 0.0217(9) 0.1758(7) 0.2847(16) 0.073(6) Uani 0.50 1 d PDU . .
O14 O -0.0579(11) 0.1351(9) 0.1585(19) 0.096(7) Uani 0.50 1 d PDU . .
C27 C -0.0064(12) 0.1383(9) 0.238(2) 0.084(7) Uani 0.50 1 d PDU . .
C28 C 0.0066(16) 0.0836(12) 0.252(3) 0.170(12) Uani 0.50 1 d PDU . .
F71 F -0.0042(17) 0.0707(9) 0.150(2) 0.189(12) Uani 0.50 1 d PDU . .
F72 F -0.008(2) 0.0424(12) 0.286(3) 0.25(2) Uani 0.50 1 d PDU . .
F73 F 0.0672(14) 0.0839(11) 0.315(3) 0.202(13) Uani 0.50 1 d PDU . .
O1 O 0.2645(4) 0.2997(3) 0.7528(7) 0.065(2) Uani 1 1 d . . .
O2 O 0.2713(4) 0.2172(3) 0.7532(7) 0.064(2) Uani 1 1 d . . .
C15 C 0.2787(6) 0.2586(5) 0.7976(9) 0.056(3) Uani 1 1 d . . .
C16 C 0.3120(9) 0.2589(5) 0.9275(12) 0.078(5) Uani 1 1 d . . .
F11 F 0.3681(6) 0.2456(5) 0.9648(8) 0.131(4) Uani 1 1 d . . .
F12 F 0.3117(6) 0.3002(4) 0.9694(7) 0.132(5) Uani 1 1 d . . .
F13 F 0.2904(6) 0.2234(4) 0.9634(8) 0.128(4) 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'
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
O6 Ag1 O9 95.9(4) . .
O6 Ag1 C2 144.2(4) . .
O9 Ag1 C2 119.9(4) . .
O6 Ag1 Ag2 76.6(3) . .
O9 Ag1 Ag2 157.3(3) . .
C2 Ag1 Ag2 69.4(3) . .
O6 Ag1 Ag5 132.7(3) . .
O9 Ag1 Ag5 93.0(3) . .
C2 Ag1 Ag5 49.8(3) . .
Ag2 Ag1 Ag5 77.57(4) . .
O6 Ag1 Ag6 167.0(3) . .
O9 Ag1 Ag6 76.3(3) . .
C2 Ag1 Ag6 45.3(3) . .
Ag2 Ag1 Ag6 114.50(4) . .
Ag5 Ag1 Ag6 59.10(4) . .
C1 Ag2 O5 145.5(4) . .
C1 Ag2 O8 122.4(4) . 2
O5 Ag2 O8 83.1(3) . 2
C1 Ag2 O13 94.8(5) . .
O5 Ag2 O13 84.2(5) . .
O8 Ag2 O13 127.3(5) 2 .
C1 Ag2 Ag1 62.6(3) . .
O5 Ag2 Ag1 84.4(3) . .
O8 Ag2 Ag1 154.3(2) 2 .
O13 Ag2 Ag1 73.4(5) . .
C1 Ag2 Ag7 47.2(3) . .
O5 Ag2 Ag7 134.6(3) . .
O8 Ag2 Ag7 78.1(2) 2 .
O13 Ag2 Ag7 139.2(4) . .
Ag1 Ag2 Ag7 95.15(5) . .
C1 Ag2 Ag3 45.3(3) . .
O5 Ag2 Ag3 165.8(3) . .
O8 Ag2 Ag3 95.5(2) 2 .
O13 Ag2 Ag3 85.5(5) . .
Ag1 Ag2 Ag3 101.93(4) . .
Ag7 Ag2 Ag3 58.12(4) . .
C1 Ag2 Ag3 103.8(3) . 2
O5 Ag2 Ag3 110.7(3) . 2
O8 Ag2 Ag3 46.0(2) 2 2
O13 Ag2 Ag3 93.2(5) . 2
Ag1 Ag2 Ag3 159.07(5) . 2
Ag7 Ag2 Ag3 84.52(4) . 2
Ag3 Ag2 Ag3 60.21(4) . 2
C1 Ag3 O11 107.1(5) . .
C1 Ag3 O11 139.6(5) . 2
O11 Ag3 O11 33.8(8) . 2
C1 Ag3 O8 128.8(4) . .
O11 Ag3 O8 119.5(5) . .
O11 Ag3 O8 86.0(5) 2 .
C1 Ag3 O4 127.0(4) . .
O11 Ag3 O4 85.6(5) . .
O11 Ag3 O4 73.0(4) 2 .
O8 Ag3 O4 78.9(3) . .
C1 Ag3 Ag4 62.5(3) . .
O11 Ag3 Ag4 132.0(5) . .
O11 Ag3 Ag4 142.5(4) 2 .
O8 Ag3 Ag4 96.8(2) . .
O4 Ag3 Ag4 70.9(2) . .
C1 Ag3 Ag7 46.6(3) . .
O11 Ag3 Ag7 63.2(4) . .
O11 Ag3 Ag7 97.0(4) 2 .
O8 Ag3 Ag7 174.2(2) . .
O4 Ag3 Ag7 106.7(3) . .
Ag4 Ag3 Ag7 83.91(4) . .
C1 Ag3 Ag2 44.0(3) . .
O11 Ag3 Ag2 85.9(4) . .
O11 Ag3 Ag2 106.3(4) 2 .
O8 Ag3 Ag2 117.1(2) . .
O4 Ag3 Ag2 164.0(3) . .
Ag4 Ag3 Ag2 105.45(4) . .
Ag7 Ag3 Ag2 57.31(4) . .
C1 Ag3 Ag3 104.8(3) . 2
O11 Ag3 Ag3 46.8(5) . 2
O11 Ag3 Ag3 46.3(4) 2 2
O8 Ag3 Ag3 93.1(2) . 2
O4 Ag3 Ag3 119.3(2) . 2
Ag4 Ag3 Ag3 167.14(5) . 2
Ag7 Ag3 Ag3 85.40(4) . 2
Ag2 Ag3 Ag3 62.51(3) . 2
C1 Ag3 Ag2 106.8(3) . 2
O11 Ag3 Ag2 101.8(5) . 2
O11 Ag3 Ag2 81.8(4) 2 2
O8 Ag3 Ag2 46.2(2) . 2
O4 Ag3 Ag2 120.9(3) . 2
Ag4 Ag3 Ag2 126.17(4) . 2
Ag7 Ag3 Ag2 129.12(5) . 2
Ag2 Ag3 Ag2 74.15(5) . 2
Ag3 Ag3 Ag2 57.28(3) 2 2
O3 Ag4 C2 154.5(4) . .
O3 Ag4 O1 78.9(3) . .
C2 Ag4 O1 125.9(4) . .
O3 Ag4 Ag3 90.8(2) . .
C2 Ag4 Ag3 67.6(3) . .
O1 Ag4 Ag3 159.1(2) . .
O3 Ag4 Ag6 156.1(3) . .
C2 Ag4 Ag6 47.4(3) . .
O1 Ag4 Ag6 78.5(2) . .
Ag3 Ag4 Ag6 113.08(4) . .
O3 Ag4 Ag6 120.5(3) . 7_556
C2 Ag4 Ag6 54.6(3) . 7_556
O1 Ag4 Ag6 100.6(2) . 7_556
Ag3 Ag4 Ag6 100.26(4) . 7_556
Ag6 Ag4 Ag6 56.99(4) . 7_556
N1 Ag5 O14 93.8(7) . 2
N1 Ag5 C2 135.4(4) . .
O14 Ag5 C2 109.6(7) 2 .
N1 Ag5 O7 90.5(3) . .
O14 Ag5 O7 143.0(7) 2 .
C2 Ag5 O7 92.2(4) . .
N1 Ag5 O13 121.0(5) . .
O14 Ag5 O13 33.1(7) 2 .
C2 Ag5 O13 96.6(5) . .
O7 Ag5 O13 117.7(5) . .
N1 Ag5 Ag6 89.6(3) . .
O14 Ag5 Ag6 120.1(6) 2 .
C2 Ag5 Ag6 45.9(3) . .
O7 Ag5 Ag6 96.6(3) . .
O13 Ag5 Ag6 131.5(5) . .
N1 Ag5 Ag1 117.6(3) . .
O14 Ag5 Ag1 65.4(6) 2 .
C2 Ag5 Ag1 49.4(3) . .
O7 Ag5 Ag1 141.5(2) . .
O13 Ag5 Ag1 71.6(5) . .
Ag6 Ag5 Ag1 60.53(4) . .
C2 Ag6 O10 131.0(4) . .
C2 Ag6 O2 125.3(4) . .
O10 Ag6 O2 91.3(3) . .
C2 Ag6 C2 105.8(4) . 7_556
O10 Ag6 C2 98.1(4) . 7_556
O2 Ag6 C2 98.8(3) . 7_556
C2 Ag6 Ag4 51.3(3) . .
O10 Ag6 Ag4 165.5(3) . .
O2 Ag6 Ag4 79.2(2) . .
C2 Ag6 Ag4 94.2(3) 7_556 .
C2 Ag6 Ag6 60.6(3) . 7_556
O10 Ag6 Ag6 127.7(3) . 7_556
O2 Ag6 Ag6 124.4(2) . 7_556
C2 Ag6 Ag6 45.3(2) 7_556 7_556
Ag4 Ag6 Ag6 66.76(4) . 7_556
C2 Ag6 Ag5 51.1(3) . .
O10 Ag6 Ag5 99.2(3) . .
O2 Ag6 Ag5 95.9(2) . .
C2 Ag6 Ag5 156.9(2) 7_556 .
Ag4 Ag6 Ag5 71.15(4) . .
Ag6 Ag6 Ag5 111.65(5) 7_556 .
C2 Ag6 Ag1 49.8(3) . .
O10 Ag6 Ag1 82.5(2) . .
O2 Ag6 Ag1 153.8(2) . .
C2 Ag6 Ag1 107.2(2) 7_556 .
Ag4 Ag6 Ag1 101.12(4) . .
Ag6 Ag6 Ag1 78.01(4) 7_556 .
Ag5 Ag6 Ag1 60.37(4) . .
C2 Ag6 Ag4 96.7(3) . 7_556
O10 Ag6 Ag4 71.5(3) . 7_556
O2 Ag6 Ag4 133.2(2) . 7_556
C2 Ag6 Ag4 44.8(3) 7_556 7_556
Ag4 Ag6 Ag4 123.01(4) . 7_556
Ag6 Ag6 Ag4 56.25(4) 7_556 7_556
Ag5 Ag6 Ag4 128.98(4) . 7_556
Ag1 Ag6 Ag4 68.65(3) . 7_556
C2 Ag6 Ag7 168.9(3) . 7_556
O10 Ag6 Ag7 52.6(2) . 7_556
O2 Ag6 Ag7 61.6(2) . 7_556
C2 Ag6 Ag7 63.4(2) 7_556 7_556
Ag4 Ag6 Ag7 128.75(4) . 7_556
Ag6 Ag6 Ag7 108.60(6) 7_556 7_556
Ag5 Ag6 Ag7 139.72(4) . 7_556
Ag1 Ag6 Ag7 128.77(4) . 7_556
Ag4 Ag6 Ag7 74.02(3) 7_556 7_556
C1 Ag7 N3 161.1(4) . 4
C1 Ag7 Ag2 47.9(3) . .
N3 Ag7 Ag2 117.4(3) 4 .
C1 Ag7 Ag3 48.9(3) . .
N3 Ag7 Ag3 142.5(3) 4 .
Ag2 Ag7 Ag3 64.58(4) . .
C1 Ag7 Ag6 61.8(3) . 7_556
N3 Ag7 Ag6 117.7(3) 4 7_556
Ag2 Ag7 Ag6 99.37(4) . 7_556
Ag3 Ag7 Ag6 97.57(4) . 7_556
N2 Ag8 N4 110.3(5) . .
N2 Ag8 O3 108.8(4) . 4_546
N4 Ag8 O3 97.7(4) . 4_546
N2 Ag8 O1 146.3(4) . 4_546
N4 Ag8 O1 103.0(4) . 4_546
O3 Ag8 O1 70.6(3) 4_546 4_546
C2 C1 Ag7 141.4(11) . .
C2 C1 Ag2 125.2(11) . .
Ag7 C1 Ag2 84.9(4) . .
C2 C1 Ag3 115.0(10) . .
Ag7 C1 Ag3 84.6(5) . .
Ag2 C1 Ag3 90.7(5) . .
C1 C2 Ag6 167.1(12) . .
C1 C2 Ag4 98.1(10) . .
Ag6 C2 Ag4 81.3(4) . .
C1 C2 Ag1 95.8(9) . .
Ag6 C2 Ag1 84.9(4) . .
Ag4 C2 Ag1 166.0(6) . .
C1 C2 Ag5 109.9(11) . .
Ag6 C2 Ag5 83.0(4) . .
Ag4 C2 Ag5 95.4(4) . .
Ag1 C2 Ag5 80.8(4) . .
C1 C2 Ag6 93.0(9) . 7_556
Ag6 C2 Ag6 74.2(4) . 7_556
Ag4 C2 Ag6 80.6(4) . 7_556
Ag1 C2 Ag6 97.6(4) . 7_556
Ag5 C2 Ag6 157.2(5) . 7_556
C3 N1 C7 118.4(11) . .
C3 N1 Ag5 124.6(8) . .
C7 N1 Ag5 116.9(9) . .
C8 N2 Ag8 169.8(14) . .
N1 C3 C4 122.3(12) . .
C5 C4 C3 119.6(12) . .
C5 C4 C8 119.7(12) . .
C3 C4 C8 120.6(12) . .
C4 C5 C6 118.9(13) . .
C5 C6 C7 118.7(13) . .
N1 C7 C6 122.1(13) . .
N2 C8 C4 177.8(16) . .
C13 N3 C9 118.7(10) . .
C13 N3 Ag7 117.6(8) . 4_545
C9 N3 Ag7 122.7(8) . 4_545
C14 N4 Ag8 161.9(12) . .
N3 C9 C10 121.6(12) . .
C11 C10 C9 118.8(11) . .
C11 C10 C14 120.0(11) . .
C9 C10 C14 121.0(12) . .
C12 C11 C10 119.6(10) . .
C11 C12 C13 117.5(12) . .
N3 C13 C12 123.6(11) . .
N4 C14 C10 177.4(16) . .
C17 O3 Ag4 115.6(8) . .
C17 O3 Ag8 136.6(8) . 4_556
Ag4 O3 Ag8 106.3(4) . 4_556
C17 O4 Ag3 133.7(8) . .
O3 C17 O4 128.2(11) . .
O3 C17 C18 116.3(12) . .
O4 C17 C18 115.4(12) . .
F22 C18 F23 106.4(15) . .
F22 C18 F21 103.2(14) . .
F23 C18 F21 103.6(15) . .
F22 C18 C17 113.9(12) . .
F23 C18 C17 114.8(11) . .
F21 C18 C17 113.7(12) . .
C19 O5 Ag2 118.0(9) . .
C19 O6 Ag1 126.7(9) . .
O6 C19 O5 130.8(13) . .
O6 C19 C20 116.2(16) . .
O5 C19 C20 113.0(16) . .
F31 C20 F32 109(3) . .
F31 C20 F33 109(3) . .
F32 C20 F33 98(2) . .
F31 C20 C19 116(2) . .
F32 C20 C19 111(2) . .
F33 C20 C19 112(2) . .
C21 O7 Ag5 122.4(9) . .
C21 O8 Ag3 105.5(9) . .
C21 O8 Ag2 126.9(8) . 2
Ag3 O8 Ag2 87.8(3) . 2
O7 C21 O8 130.6(12) . .
O7 C21 C22 113.3(12) . .
O8 C21 C22 116.1(14) . .
F42 C22 F43 108.7(17) . .
F42 C22 F41 107.1(18) . .
F43 C22 F41 98.1(16) . .
F42 C22 C21 115.8(14) . .
F43 C22 C21 114.2(16) . .
F41 C22 C21 111.3(15) . .
C23 O9 Ag1 129.5(9) . .
C23 O10 Ag6 121.5(8) . .
O10 C23 O9 129.8(12) . .
O10 C23 C24 115.7(11) . .
O9 C23 C24 114.5(11) . .
F53 C24 F51' 129(3) . .
F53 C24 F52' 60.5(16) . .
F51' C24 F52' 107.3(15) . .
F53 C24 F51 107.4(15) . .
F51' C24 F51 39(2) . .
F52' C24 F51 130(3) . .
F53 C24 F52 106.0(15) . .
F51' C24 F52 67(2) . .
F52' C24 F52 48.0(17) . .
F51 C24 F52 104.6(14) . .
F53 C24 F53' 45.4(17) . .
F51' C24 F53' 105.4(15) . .
F52' C24 F53' 103.8(14) . .
F51 C24 F53' 69.1(18) . .
F52 C24 F53' 138.8(19) . .
F53 C24 C23 115.9(19) . .
F51' C24 C23 114(2) . .
F52' C24 C23 115.6(18) . .
F51 C24 C23 112.5(17) . .
F52 C24 C23 109.7(14) . .
F53' C24 C23 110.1(15) . .
C25 O11 O12 64.5(11) 2 2
C25 O11 C25 16(2) 2 .
O12 O11 C25 79(2) 2 .
C25 O11 O11 57.8(14) 2 2
O12 O11 O11 118.7(16) 2 2
C25 O11 O11 48.8(15) . 2
C25 O11 Ag3 109.0(19) 2 .
O12 O11 Ag3 109.0(14) 2 .
C25 O11 Ag3 113.1(14) . .
O11 O11 Ag3 74.0(10) 2 .
C25 O11 Ag3 118.4(18) 2 2
O12 O11 Ag3 162.4(15) 2 2
C25 O11 Ag3 102.4(17) . 2
O11 O11 Ag3 72.2(11) 2 2
Ag3 O11 Ag3 86.9(6) . 2
O11 O12 C25 53.1(15) 2 .
O11 O12 C25 51.2(14) 2 2
C25 O12 C25 7(2) . 2
O11 O12 C26 105.1(19) 2 2
C25 O12 C26 54.9(15) . 2
C25 O12 C26 54.9(13) 2 2
C25 C25 O11 104(4) 2 2
C25 C25 O11 60(4) 2 .
O11 C25 O11 73(2) 2 .
C25 C25 O12 149(8) 2 .
O11 C25 O12 62.3(18) 2 .
O11 C25 O12 131(3) . .
C25 C25 C26 99(2) 2 2
O11 C25 C26 134(2) 2 2
O11 C25 C26 151(3) . 2
O12 C25 C26 77.4(16) . 2
C25 C25 C26 66.9(15) 2 .
O11 C25 C26 158(3) 2 .
O11 C25 C26 114(2) . .
O12 C25 C26 114.5(19) . .
C26 C25 C26 37.1(18) 2 .
C25 C25 O12 24(6) 2 2
O11 C25 O12 115(2) 2 2
O11 C25 O12 50.0(13) . 2
O12 C25 O12 173(2) . 2
C26 C25 O12 102(2) 2 2
C26 C25 O12 65.4(16) . 2
C26 C26 F61 88(2) 2 2
C26 C26 F62 124(3) 2 .
F61 C26 F62 71(3) 2 .
C26 C26 F63 128(3) 2 .
F61 C26 F63 87(3) 2 .
F62 C26 F63 102.8(17) . .
C26 C26 F61 50.8(14) 2 .
F61 C26 F61 38(2) 2 .
F62 C26 F61 102.2(17) . .
F63 C26 F61 101.5(17) . .
C26 C26 C25 77.4(13) 2 2
F61 C26 C25 165(3) 2 2
F62 C26 C25 116(2) . 2
F63 C26 C25 104(2) . 2
F61 C26 C25 127(2) . 2
C26 C26 C25 65.4(11) 2 .
F61 C26 C25 151(3) 2 .
F62 C26 C25 115.5(19) . .
F63 C26 C25 116(2) . .
F61 C26 C25 116.2(19) . .
C25 C26 C25 13.8(18) 2 .
C26 C26 O12 125.0(12) 2 2
F61 C26 O12 147(3) 2 2
F62 C26 O12 85.0(15) . 2
F63 C26 O12 76.6(16) . 2
F61 C26 O12 172.8(19) . 2
C25 C26 O12 47.6(10) 2 2
C25 C26 O12 59.7(16) . 2
F61 F61 C26 90.7(19) 2 2
F61 F61 C26 50.8(14) 2 .
C26 F61 C26 42(3) 2 .
F61 F61 F62 136(4) 2 2
C26 F61 F62 64.3(18) 2 2
C26 F61 F62 92.2(19) . 2
F61 F61 F63 109(4) 2 2
C26 F61 F63 54(2) 2 2
C26 F61 F63 83.8(17) . 2
F62 F61 F63 86.0(18) 2 2
C26 F62 F61 44.7(13) . 2
C26 F63 F61 39.1(15) . 2
O13 O13 C27 70.5(16) 2 2
O13 O13 C27 56.1(17) 2 .
C27 O13 C27 15(2) 2 .
O13 O13 O14 128.1(13) 2 2
C27 O13 O14 57.6(11) 2 2
C27 O13 O14 72(2) . 2
O13 O13 Ag5 161(3) 2 .
C27 O13 Ag5 118.3(17) 2 .
C27 O13 Ag5 132.5(18) . .
O14 O13 Ag5 63.6(12) 2 .
O13 O13 Ag2 90.1(19) 2 .
C27 O13 Ag2 131(2) 2 .
C27 O13 Ag2 123.3(16) . .
O14 O13 Ag2 121.5(16) 2 .
Ag5 O13 Ag2 94.7(6) . .
C27 O14 O13 47.9(17) . 2
C27 O14 F73 95(2) . 2
O13 O14 F73 138(2) 2 2
C27 O14 C27 2(2) . 2
O13 O14 C27 48.7(13) 2 2
F73 O14 C27 93.1(18) 2 2
C27 O14 C28 51.8(17) . 2
O13 O14 C28 100(2) 2 2
F73 O14 C28 45.1(12) 2 2
C27 O14 C28 50.9(15) 2 2
C27 O14 Ag5 128(2) . 2
O13 O14 Ag5 83.4(14) 2 2
F73 O14 Ag5 137.3(19) 2 2
C27 O14 Ag5 129.6(19) 2 2
C28 O14 Ag5 164.9(17) 2 2
C27 C27 O13 109.2(17) 2 2
C27 C27 O13 56.2(19) 2 .
O13 C27 O13 53(2) 2 .
C27 C27 O14 171(10) 2 .
O13 C27 O14 75(2) 2 .
O13 C27 O14 128(3) . .
C27 C27 C28 87.4(19) 2 2
O13 C27 C28 161(3) 2 2
O13 C27 C28 144(3) . 2
O14 C27 C28 88(2) . 2
C27 C27 C28 80.1(17) 2 .
O13 C27 C28 171(3) 2 .
O13 C27 C28 136(3) . .
O14 C27 C28 97(2) . .
C28 C27 C28 12(3) 2 .
C27 C27 O14 7(8) 2 2
O13 C27 O14 113(2) 2 2
O13 C27 O14 59.2(15) . 2
O14 C27 O14 173(3) . 2
C28 C27 O14 85(2) 2 2
C28 C27 O14 76(2) . 2
C28 C28 F72 102(6) 2 2
C28 C28 F72 64(5) 2 .
F72 C28 F72 59(4) 2 .
C28 C28 F73 152(10) 2 .
F72 C28 F73 90(4) 2 .
F72 C28 F73 103(2) . .
C28 C28 F71 103(10) 2 .
F72 C28 F71 50(3) 2 .
F72 C28 F71 103(2) . .
F73 C28 F71 104(2) . .
C28 C28 F71 64(10) 2 2
F72 C28 F71 102(3) 2 2
F72 C28 F71 46(2) . 2
F73 C28 F71 89(3) . 2
F71 C28 F71 149(3) . 2
C28 C28 C27 88(2) 2 2
F72 C28 C27 159(4) 2 2
F72 C28 C27 141(3) . 2
F73 C28 C27 89(2) . 2
F71 C28 C27 110(2) . 2
F71 C28 C27 98(3) 2 2
C28 C28 C27 80.1(18) 2 .
F72 C28 C27 152(4) 2 .
F72 C28 C27 140(3) . .
F73 C28 C27 101(2) . .
F71 C28 C27 102(2) . .
F71 C28 C27 104(3) 2 .
C27 C28 C27 12.5(19) 2 .
C28 C28 F73 22(10) 2 2
F72 C28 F73 93(3) 2 2
F72 C28 F73 75(3) . 2
F73 C28 F73 175(3) . 2
F71 C28 F73 82(2) . 2
F71 C28 F73 86(3) 2 2
C27 C28 F73 89(3) 2 2
C27 C28 F73 79(2) . 2
C28 C28 O14 115(7) 2 2
F72 C28 O14 141(5) 2 2
F72 C28 O14 127.4(19) . 2
F73 C28 O14 51.3(18) . 2
F71 C28 O14 126(2) . 2
F71 C28 O14 84(2) 2 2
C27 C28 O14 40.4(10) 2 2
C27 C28 O14 52.7(19) . 2
F73 C28 O14 126(3) 2 2
F72 F71 C28 60(2) 2 .
F72 F71 C28 62(3) 2 2
C28 F71 C28 12(3) . 2
F71 F72 C28 70.1(17) 2 2
F71 F72 F72 125(4) 2 2
C28 F72 F72 65(3) 2 2
F71 F72 C28 72(3) 2 .
C28 F72 C28 14(3) 2 .
F72 F72 C28 56(2) 2 .
C28 F73 O14 84(2) . 2
C28 F73 C28 5(2) . 2
O14 F73 C28 82(2) 2 2
C15 O1 Ag4 118.3(9) . .
C15 O1 Ag8 137.8(8) . 4_556
Ag4 O1 Ag8 101.4(3) . 4_556
C15 O2 Ag6 120.4(7) . .
O1 C15 O2 128.8(11) . .
O1 C15 C16 115.4(12) . .
O2 C15 C16 115.8(10) . .
F12 C16 F11 109.1(17) . .
F12 C16 F13 111.0(13) . .
F11 C16 F13 104.3(13) . .
F12 C16 C15 114.3(12) . .
F11 C16 C15 107.3(12) . .
F13 C16 C15 110.3(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O6 2.288(9) .
Ag1 O9 2.291(10) .
Ag1 C2 2.345(12) .
Ag1 Ag2 2.9378(15) .
Ag1 Ag5 3.0514(14) .
Ag1 Ag6 3.0563(13) .
Ag2 C1 2.195(13) .
Ag2 O5 2.250(9) .
Ag2 O8 2.408(9) 2
Ag2 O13 2.56(2) .
Ag2 Ag7 2.9457(17) .
Ag2 Ag3 3.1613(14) .
Ag2 Ag3 3.3330(16) 2
Ag3 C1 2.248(13) .
Ag3 O11 2.359(16) .
Ag3 O11 2.38(2) 2
Ag3 O8 2.399(9) .
Ag3 O4 2.406(8) .
Ag3 Ag4 2.9276(15) .
Ag3 Ag7 2.9721(14) .
Ag3 Ag3 3.261(2) 2
Ag3 Ag2 3.3330(16) 2
Ag4 O3 2.258(8) .
Ag4 C2 2.312(12) .
Ag4 O1 2.380(9) .
Ag4 Ag6 2.9286(13) .
Ag4 Ag6 3.2365(14) 7_556
Ag5 N1 2.275(9) .
Ag5 O14 2.29(2) 2
Ag5 C2 2.362(12) .
Ag5 O7 2.474(9) .
Ag5 O13 2.542(18) .
Ag5 Ag6 3.0125(19) .
Ag6 C2 2.180(12) .
Ag6 O10 2.285(9) .
Ag6 O2 2.342(8) .
Ag6 C2 2.673(13) 7_556
Ag6 Ag6 2.954(2) 7_556
Ag6 Ag4 3.2364(14) 7_556
Ag6 Ag7 3.3153(15) 7_556
Ag7 C1 2.169(13) .
Ag7 N3 2.199(9) 4
Ag7 Ag6 3.3153(15) 7_556
Ag8 N2 2.244(13) .
Ag8 N4 2.352(12) .
Ag8 O3 2.528(9) 4_546
Ag8 O1 2.571(9) 4_546
C1 C2 1.197(16) .
C2 Ag6 2.673(13) 7_556
N1 C3 1.331(16) .
N1 C7 1.357(15) .
N2 C8 1.136(16) .
C3 C4 1.389(17) .
C4 C5 1.374(19) .
C4 C8 1.429(18) .
C5 C6 1.38(2) .
C6 C7 1.393(19) .
N3 C13 1.320(15) .
N3 C9 1.322(15) .
N3 Ag7 2.199(9) 4_545
N4 C14 1.117(17) .
C9 C10 1.390(15) .
C10 C11 1.373(17) .
C10 C14 1.455(18) .
C11 C12 1.369(18) .
C12 C13 1.381(16) .
O3 C17 1.199(14) .
O3 Ag8 2.528(9) 4_556
O4 C17 1.230(15) .
C17 C18 1.521(15) .
C18 F22 1.230(16) .
C18 F23 1.245(15) .
C18 F21 1.299(16) .
O5 C19 1.238(17) .
O6 C19 1.225(16) .
C19 C20 1.54(2) .
C20 F31 1.16(3) .
C20 F32 1.27(3) .
C20 F33 1.32(3) .
O7 C21 1.206(15) .
O8 C21 1.253(15) .
O8 Ag2 2.408(9) 2
C21 C22 1.501(18) .
C22 F42 1.271(18) .
C22 F43 1.28(2) .
C22 F41 1.30(2) .
O9 C23 1.234(15) .
O10 C23 1.216(15) .
C23 C24 1.530(18) .
C24 F53 1.244(16) .
C24 F51' 1.246(16) .
C24 F52' 1.252(16) .
C24 F51 1.252(16) .
C24 F52 1.267(15) .
C24 F53' 1.269(15) .
O11 C25 1.08(3) 2
O11 O12 1.20(2) 2
O11 C25 1.218(10) .
O11 O11 1.38(3) 2
O11 Ag3 2.38(2) 2
O12 O11 1.20(2) 2
O12 C25 1.222(10) .
O12 C25 1.53(4) 2
O12 C26 1.61(3) 2
C25 C25 0.35(5) 2
C25 O11 1.08(3) 2
C25 C26 1.35(3) 2
C25 C26 1.45(3) .
C25 O12 1.53(4) 2
C26 C26 0.90(4) 2
C26 F61 1.05(3) 2
C26 F62 1.343(18) .
C26 F63 1.344(19) .
C26 F61 1.351(18) .
C26 C25 1.35(3) 2
C26 O12 1.61(3) 2
F61 F61 0.84(4) 2
F61 C26 1.05(3) 2
F61 F62 1.41(4) 2
F61 F63 1.66(5) 2
F62 F61 1.41(4) 2
F63 F61 1.66(5) 2
O13 O13 1.04(4) 2
O13 C27 1.07(3) 2
O13 C27 1.221(10) .
O13 O14 1.40(3) 2
O14 C27 1.223(10) .
O14 O13 1.40(3) 2
O14 F73 1.48(4) 2
O14 C27 1.55(5) 2
O14 C28 1.89(4) 2
O14 Ag5 2.29(2) 2
C27 C27 0.33(5) 2
C27 O13 1.07(3) 2
C27 C28 1.49(4) 2
C27 C28 1.51(4) .
C27 O14 1.55(5) 2
C28 C28 0.32(7) 2
C28 F72 1.24(4) 2
C28 F72 1.34(2) .
C28 F73 1.35(2) .
C28 F71 1.35(2) .
C28 F71 1.46(5) 2
C28 C27 1.49(4) 2
C28 F73 1.64(6) 2
C28 O14 1.89(4) 2
F71 F72 1.10(5) 2
F71 C28 1.46(5) 2
F72 F71 1.10(5) 2
F72 C28 1.24(4) 2
F72 F72 1.28(7) 2
F73 O14 1.48(4) 2
F73 C28 1.64(6) 2
O1 C15 1.234(14) .
O1 Ag8 2.571(9) 4_556
O2 C15 1.246(15) .
C15 C16 1.557(17) .
C16 F12 1.262(15) .
C16 F11 1.315(19) .
C16 F13 1.329(19) .
