#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:07:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179776 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/72/7007216.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_7007216
loop_
_publ_author_name
'Zhao, Xiao-Li'
'Zhang, Lin-Ping'
'Mak, Thomas C. W.'
_publ_section_title
;
 Polyhedral C2@Agn cages distorted by ancillary pyridine N-oxide
 ligands in silver-acetylenediide complexes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3141
_journal_page_last               3146
_journal_paper_doi               10.1039/b601767c
_journal_year                    2006
_chemical_formula_sum            'C33 H28 Ag7 F15 N4 O21 S5'
_chemical_formula_weight         2016.98
_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                 115.859(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3205(18)
_cell_length_b                   27.110(3)
_cell_length_c                   14.4434(18)
_cell_measurement_temperature    293(2)
_cell_volume                     5398.2(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30337
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    2.809
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.725856
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.950
_refine_diff_density_min         -1.454
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       0.00002(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         9500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0314P)²+26.7402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                7512
_reflns_number_total             9500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b601767c.txt
_cod_data_source_block           compound4
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7007216
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.31932(3) 0.677610(17) 0.32152(4) 0.04195(12) Uani 1 1 d . . .
Ag2 Ag 0.40135(3) 0.774465(19) 0.37002(4) 0.04644(13) Uani 1 1 d . . .
Ag3 Ag 0.19374(3) 0.77968(2) 0.23751(4) 0.05524(15) Uani 1 1 d . . .
Ag4 Ag 0.29543(5) 0.67690(2) 0.05555(5) 0.06702(18) Uani 1 1 d . . .
Ag5 Ag 0.37550(4) 0.816244(19) 0.10372(4) 0.05066(14) Uani 1 1 d . . .
Ag6 Ag 0.19606(4) 0.77092(2) -0.01286(4) 0.06914(19) Uani 1 1 d . . .
Ag7 Ag 0.47420(4) 0.71633(3) 0.23884(6) 0.0760(2) Uani 1 1 d . . .
C1 C 0.2987(5) 0.7495(2) 0.1365(4) 0.0443(15) Uani 1 1 d . . .
C2 C 0.3159(4) 0.7358(2) 0.2204(4) 0.0364(13) Uani 1 1 d . . .
S1 S 0.58623(13) 0.72675(7) 0.57920(13) 0.0556(4) Uani 1 1 d . . .
O1 O 0.5221(5) 0.7532(3) 0.6057(7) 0.138(3) Uani 1 1 d . . .
O2 O 0.5593(5) 0.7285(4) 0.4762(5) 0.161(5) Uani 1 1 d . . .
O3 O 0.6057(6) 0.6808(2) 0.6262(7) 0.155(4) Uani 1 1 d . . .
C3 C 0.7013(5) 0.7589(3) 0.6376(7) 0.063(2) Uani 1 1 d . . .
F11 F 0.6913(4) 0.8046(2) 0.6159(9) 0.182(4) Uani 1 1 d . . .
F12 F 0.7626(4) 0.7423(3) 0.6062(5) 0.114(2) Uani 1 1 d . . .
F13 F 0.7420(5) 0.7531(3) 0.7366(5) 0.136(3) Uani 1 1 d . . .
S2 S 0.55248(10) 0.60251(5) 0.17464(11) 0.0361(3) Uani 1 1 d . . .
O4 O 0.4735(3) 0.62227(17) 0.1924(4) 0.0510(11) Uani 1 1 d . . .
O5 O 0.6451(3) 0.60352(17) 0.2635(3) 0.0519(11) Uani 1 1 d . . .
O6 O 0.5526(3) 0.61852(17) 0.0800(4) 0.0534(11) Uani 1 1 d . . .
C4 C 0.5238(5) 0.5375(3) 0.1510(5) 0.0550(17) Uani 1 1 d . . .
F21 F 0.4400(3) 0.53191(17) 0.0683(4) 0.0798(14) Uani 1 1 d . . .
F22 F 0.5170(4) 0.51574(17) 0.2287(4) 0.0897(16) Uani 1 1 d . . .
F23 F 0.5912(4) 0.51456(17) 0.1331(4) 0.0928(16) Uani 1 1 d . . .
S3 S 0.25173(11) 0.90364(6) 0.18384(13) 0.0445(4) Uani 1 1 d . . .
O7 O 0.3168(5) 0.9030(2) 0.1396(6) 0.096(2) Uani 1 1 d . . .
O8 O 0.2952(4) 0.9121(2) 0.2932(4) 0.0832(17) Uani 1 1 d . . .
O9 O 0.1807(4) 0.86597(19) 0.1534(5) 0.0826(18) Uani 1 1 d . . .
C5 C 0.1822(5) 0.9597(2) 0.1321(5) 0.0506(16) Uani 1 1 d . . .
F31 F 0.1212(4) 0.96854(19) 0.1711(5) 0.1043(19) Uani 1 1 d . . .
F32 F 0.1335(4) 0.9572(2) 0.0315(4) 0.1008(18) Uani 1 1 d . . .
F33 F 0.2375(4) 0.99879(16) 0.1495(4) 0.0876(15) Uani 1 1 d . . .
S4 S 0.23809(10) 0.57187(5) 0.14269(12) 0.0383(3) Uani 1 1 d . . .
O10 O 0.2463(3) 0.59734(16) 0.0596(3) 0.0518(11) Uani 1 1 d . . .
O11 O 0.2654(4) 0.59977(18) 0.2354(4) 0.0647(14) Uani 1 1 d . . .
O12 O 0.2717(3) 0.52223(16) 0.1581(4) 0.0535(11) Uani 1 1 d . . .
C6 C 0.1075(5) 0.5662(3) 0.0946(6) 0.0546(17) Uani 1 1 d . . .
F41 F 0.0839(4) 0.5424(2) 0.1605(4) 0.0926(16) Uani 1 1 d . . .
F42 F 0.0662(3) 0.60990(19) 0.0789(5) 0.0961(17) Uani 1 1 d . . .
F43 F 0.0687(3) 0.54149(17) 0.0069(3) 0.0712(12) Uani 1 1 d . . .
S5 S -0.02817(10) 0.78026(6) 0.01037(11) 0.0398(3) Uani 1 1 d . . .
O13 O 0.0264(3) 0.78387(17) 0.1207(3) 0.0506(11) Uani 1 1 d . . .
O14 O -0.0961(4) 0.74075(18) -0.0244(4) 0.0662(14) Uani 1 1 d . . .
O15 O 0.0289(3) 0.78665(17) -0.0459(3) 0.0517(11) Uani 1 1 d . . .
C7 C -0.1012(4) 0.8362(3) -0.0212(5) 0.0494(16) Uani 1 1 d . . .
F51 F -0.1554(3) 0.83982(19) -0.1211(3) 0.0744(13) Uani 1 1 d . . .
F52 F -0.0474(3) 0.87566(15) 0.0098(4) 0.0800(14) Uani 1 1 d . . .
F53 F -0.1614(3) 0.83580(18) 0.0232(4) 0.0744(13) Uani 1 1 d . . .
N1 N 0.0749(3) 0.83858(18) 0.3333(4) 0.0371(11) Uani 1 1 d . . .
N2 N -0.5394(3) 0.89494(17) -0.0028(3) 0.0330(10) Uani 1 1 d . . .
O16 O 0.1552(3) 0.81005(16) 0.3662(3) 0.0484(11) Uani 1 1 d . . .
O17 O -0.6132(3) 0.86287(16) -0.0264(3) 0.0422(10) Uani 1 1 d . . .
C8 C 0.0812(4) 0.8866(2) 0.3164(5) 0.0447(15) Uani 1 1 d . . .
H8A H 0.1410 0.9005 0.3295 0.054 Uiso 1 1 calc R . .
C9 C -0.0003(4) 0.9154(2) 0.2799(5) 0.0465(15) Uani 1 1 d . . .
H9A H 0.0051 0.9487 0.2678 0.056 Uiso 1 1 calc R . .
C10 C -0.0905(4) 0.8963(2) 0.2604(4) 0.0351(13) Uani 1 1 d . . .
C11 C -0.0922(4) 0.8471(2) 0.2817(5) 0.0481(16) Uani 1 1 d . . .
H11A H -0.1507 0.8326 0.2716 0.058 Uiso 1 1 calc R . .
C12 C -0.0092(5) 0.8185(2) 0.3180(5) 0.0485(16) Uani 1 1 d . . .
H12A H -0.0123 0.7852 0.3317 0.058 Uiso 1 1 calc R . .
C13 C -0.1815(4) 0.9272(2) 0.2199(5) 0.0427(14) Uani 1 1 d . . .
H13A H -0.1782 0.9495 0.2739 0.051 Uiso 1 1 calc R . .
H13B H -0.2367 0.9056 0.2038 0.051 Uiso 1 1 calc R . .
C14 C -0.1987(4) 0.9573(2) 0.1252(5) 0.0419(14) Uani 1 1 d . . .
H14A H -0.2026 0.9352 0.0707 0.050 Uiso 1 1 calc R . .
H14B H -0.1438 0.9791 0.1409 0.050 Uiso 1 1 calc R . .
C15 C -0.2919(4) 0.9883(2) 0.0866(5) 0.0414(14) Uani 1 1 d . . .
H15A H -0.2881 1.0105 0.1410 0.050 Uiso 1 1 calc R . .
H15B H -0.2966 1.0084 0.0289 0.050 Uiso 1 1 calc R . .
C16 C -0.3816(4) 0.9571(2) 0.0536(4) 0.0347(12) Uani 1 1 d . . .
C17 C -0.4194(4) 0.9320(2) -0.0390(4) 0.0419(14) Uani 1 1 d . . .
H17A H -0.3908 0.9360 -0.0837 0.050 Uiso 1 1 calc R . .
C18 C -0.4981(4) 0.9015(2) -0.0663(4) 0.0417(14) Uani 1 1 d . . .
H18A H -0.5228 0.8852 -0.1293 0.050 Uiso 1 1 calc R . .
C19 C -0.5075(4) 0.9200(2) 0.0855(4) 0.0410(14) Uani 1 1 d . . .
H19A H -0.5392 0.9165 0.1274 0.049 Uiso 1 1 calc R . .
C20 C -0.4290(4) 0.9508(2) 0.1155(4) 0.0402(14) Uani 1 1 d . . .
H20A H -0.4074 0.9675 0.1778 0.048 Uiso 1 1 calc R . .
N3 N 0.0869(3) 0.66306(18) 0.3037(4) 0.0379(11) Uani 1 1 d . . .
N4 N -0.4332(3) 0.65665(17) -0.1657(3) 0.0356(11) Uani 1 1 d . . .
O18 O 0.1698(3) 0.68998(17) 0.3437(4) 0.0520(11) Uani 1 1 d . . .
O19 O -0.5146(3) 0.68358(16) -0.2156(3) 0.0462(10) Uani 1 1 d . . .
C21 C 0.0845(5) 0.6187(2) 0.3428(5) 0.0465(15) Uani 1 1 d . . .
H21A H 0.1399 0.6061 0.3966 0.056 Uiso 1 1 calc R . .
C22 C 0.0005(5) 0.5920(2) 0.3037(5) 0.0451(15) Uani 1 1 d . . .
H22A H -0.0009 0.5611 0.3310 0.054 Uiso 1 1 calc R . .
C23 C -0.0832(4) 0.6104(2) 0.2234(4) 0.0357(13) Uani 1 1 d . . .
C24 C -0.0764(4) 0.6561(2) 0.1863(5) 0.0409(14) Uani 1 1 d . . .
H24A H -0.1305 0.6696 0.1324 0.049 Uiso 1 1 calc R . .
C25 C 0.0086(5) 0.6821(2) 0.2271(5) 0.0435(14) Uani 1 1 d . . .
H25A H 0.0117 0.7132 0.2012 0.052 Uiso 1 1 calc R . .
C26 C -0.1748(4) 0.5806(2) 0.1764(5) 0.0450(15) Uani 1 1 d . . .
H26A H -0.2299 0.6027 0.1471 0.054 Uiso 1 1 calc R . .
H26B H -0.1813 0.5614 0.2297 0.054 Uiso 1 1 calc R . .
C27 C -0.1760(4) 0.5457(2) 0.0922(5) 0.0471(16) Uani 1 1 d . . .
H27A H -0.1189 0.5248 0.1214 0.057 Uiso 1 1 calc R . .
H27B H -0.2325 0.5245 0.0707 0.057 Uiso 1 1 calc R . .
C28 C -0.1779(4) 0.5715(2) -0.0018(5) 0.0417(14) Uani 1 1 d . . .
H28A H -0.1218 0.5929 0.0198 0.050 Uiso 1 1 calc R . .
H28B H -0.1723 0.5468 -0.0476 0.050 Uiso 1 1 calc R . .
C29 C -0.2674(4) 0.6016(2) -0.0607(4) 0.0325(12) Uani 1 1 d . . .
C30 C -0.3598(4) 0.5811(2) -0.0938(5) 0.0403(14) Uani 1 1 d . . .
H30A H -0.3662 0.5481 -0.0809 0.048 Uiso 1 1 calc R . .
C31 C -0.4408(4) 0.6091(2) -0.1449(5) 0.0411(14) Uani 1 1 d . . .
H31A H -0.5018 0.5950 -0.1655 0.049 Uiso 1 1 calc R . .
C32 C -0.3460(4) 0.6779(2) -0.1360(5) 0.0411(14) Uani 1 1 d . . .
H32A H -0.3416 0.7110 -0.1507 0.049 Uiso 1 1 calc R . .
C33 C -0.2632(4) 0.6507(2) -0.0836(4) 0.0387(13) Uani 1 1 d . . .
H33A H -0.2030 0.6656 -0.0632 0.046 Uiso 1 1 calc R . .
O1W O 0.3792(3) 0.84373(16) 0.4507(3) 0.0475(10) Uani 1 1 d . . .
O2W O 0.6310(3) 0.6974(2) 0.3452(4) 0.0681(14) 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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
C2 Ag1 O17 152.54(18) . 4_676 ?
C2 Ag1 O11 113.2(2) . . ?
O17 Ag1 O11 89.13(16) 4_676 . ?
C2 Ag1 O18 103.95(19) . . ?
O17 Ag1 O18 89.81(15) 4_676 . ?
O11 Ag1 O18 93.30(16) . . ?
C2 Ag1 Ag2 50.73(15) . . ?
O17 Ag1 Ag2 103.97(11) 4_676 . ?
O11 Ag1 Ag2 161.12(13) . . ?
O18 Ag1 Ag2 100.18(10) . . ?
C2 Ag1 Ag7 46.85(15) . . ?
O17 Ag1 Ag7 114.50(10) 4_676 . ?
O11 Ag1 Ag7 103.51(13) . . ?
O18 Ag1 Ag7 150.22(12) . . ?
Ag2 Ag1 Ag7 58.832(17) . . ?
C2 Ag1 Ag3 44.72(16) . . ?
O17 Ag1 Ag3 135.49(10) 4_676 . ?
O11 Ag1 Ag3 122.30(13) . . ?
O18 Ag1 Ag3 60.45(11) . . ?
Ag2 Ag1 Ag3 56.069(17) . . ?
Ag7 Ag1 Ag3 89.78(2) . . ?
C2 Ag2 O1W 135.58(18) . . ?
C2 Ag2 O19 86.83(17) . 4_676 ?
O1W Ag2 O19 95.96(15) . 4_676 ?
C2 Ag2 O2 110.7(3) . . ?
O1W Ag2 O2 113.7(3) . . ?
O19 Ag2 O2 87.7(2) 4_676 . ?
C2 Ag2 Ag1 47.54(15) . . ?
O1W Ag2 Ag1 136.29(11) . . ?
O19 Ag2 Ag1 125.45(10) 4_676 . ?
O2 Ag2 Ag1 84.2(2) . . ?
C2 Ag2 Ag3 51.52(15) . . ?
O1W Ag2 Ag3 86.18(10) . . ?
O19 Ag2 Ag3 108.24(10) 4_676 . ?
O2 Ag2 Ag3 153.5(2) . . ?
Ag1 Ag2 Ag3 69.319(18) . . ?
C2 Ag2 Ag7 51.11(15) . . ?
O1W Ag2 Ag7 156.03(12) . . ?
O19 Ag2 Ag7 60.12(11) 4_676 . ?
O2 Ag2 Ag7 67.08(19) . . ?
Ag1 Ag2 Ag7 67.15(2) . . ?
Ag3 Ag2 Ag7 102.06(2) . . ?
C2 Ag3 O16 139.67(17) . . ?
C2 Ag3 O13 128.25(18) . . ?
O16 Ag3 O13 88.79(15) . . ?
C2 Ag3 Ag2 49.08(14) . . ?
O16 Ag3 Ag2 94.41(10) . . ?
O13 Ag3 Ag2 176.60(11) . . ?
C2 Ag3 Ag1 40.33(14) . . ?
O16 Ag3 Ag1 108.30(10) . . ?
O13 Ag3 Ag1 125.35(11) . . ?
Ag2 Ag3 Ag1 54.612(16) . . ?
C1 Ag4 O10 137.1(2) . . ?
C1 Ag4 O1W 128.11(19) . 4_575 ?
O10 Ag4 O1W 93.88(15) . 4_575 ?
C1 Ag4 Ag6 46.31(15) . . ?
O10 Ag4 Ag6 134.66(12) . . ?
O1W Ag4 Ag6 109.20(10) 4_575 . ?
C1 Ag4 Ag7 56.11(16) . . ?
O10 Ag4 Ag7 119.16(12) . . ?
O1W Ag4 Ag7 95.90(10) 4_575 . ?
Ag6 Ag4 Ag7 97.26(2) . . ?
C1 Ag5 O17 144.12(17) . 1_655 ?
C1 Ag5 O19 87.58(17) . 4_676 ?
O17 Ag5 O19 127.49(13) 1_655 4_676 ?
C1 Ag5 Ag6 47.79(15) . . ?
O17 Ag5 Ag6 98.71(9) 1_655 . ?
O19 Ag5 Ag6 133.61(10) 4_676 . ?
C1 Ag5 Ag7 51.66(16) . . ?
O17 Ag5 Ag7 138.28(11) 1_655 . ?
O19 Ag5 Ag7 55.74(11) 4_676 . ?
Ag6 Ag5 Ag7 94.12(2) . . ?
C1 Ag6 O18 147.0(2) . 4_575 ?
C1 Ag6 O15 119.9(2) . . ?
O18 Ag6 O15 89.21(15) 4_575 . ?
C1 Ag6 Ag5 54.01(17) . . ?
O18 Ag6 Ag5 94.76(12) 4_575 . ?
O15 Ag6 Ag5 135.60(11) . . ?
C1 Ag6 Ag4 50.89(17) . . ?
O18 Ag6 Ag4 126.47(12) 4_575 . ?
O15 Ag6 Ag4 124.80(11) . . ?
Ag5 Ag6 Ag4 87.09(2) . . ?
O2W Ag7 C2 148.2(2) . . ?
O2W Ag7 O1 91.0(2) . 4_575 ?
C2 Ag7 O1 118.1(2) . 4_575 ?
O2W Ag7 C1 171.10(18) . . ?
C2 Ag7 C1 27.01(19) . . ?
O1 Ag7 C1 91.5(2) 4_575 . ?
O2W Ag7 Ag2 105.30(13) . . ?
C2 Ag7 Ag2 47.08(14) . . ?
O1 Ag7 Ag2 128.8(2) 4_575 . ?
C1 Ag7 Ag2 66.66(13) . . ?
O2W Ag7 Ag4 142.17(13) . . ?
C2 Ag7 Ag4 59.72(14) . . ?
O1 Ag7 Ag4 84.3(2) 4_575 . ?
C1 Ag7 Ag4 46.65(13) . . ?
Ag2 Ag7 Ag4 106.78(2) . . ?
O2W Ag7 Ag1 113.74(15) . . ?
C2 Ag7 Ag1 40.85(14) . . ?
O1 Ag7 Ag1 154.17(19) 4_575 . ?
C1 Ag7 Ag1 65.29(14) . . ?
Ag2 Ag7 Ag1 54.018(18) . . ?
Ag4 Ag7 Ag1 71.58(2) . . ?
O2W Ag7 Ag5 131.49(15) . . ?
C2 Ag7 Ag5 64.52(14) . . ?
O1 Ag7 Ag5 58.76(17) 4_575 . ?
C1 Ag7 Ag5 44.39(14) . . ?
Ag2 Ag7 Ag5 75.14(2) . . ?
Ag4 Ag7 Ag5 76.58(2) . . ?
Ag1 Ag7 Ag5 105.21(2) . . ?
C2 C1 Ag6 149.7(6) . . ?
C2 C1 Ag4 101.6(5) . . ?
Ag6 C1 Ag4 82.8(2) . . ?
C2 C1 Ag5 123.2(5) . . ?
Ag6 C1 Ag5 78.2(2) . . ?
Ag4 C1 Ag5 118.0(3) . . ?
C2 C1 Ag7 66.1(4) . . ?
Ag6 C1 Ag7 142.8(3) . . ?
Ag4 C1 Ag7 77.24(19) . . ?
Ag5 C1 Ag7 83.9(2) . . ?
C1 C2 Ag1 149.5(5) . . ?
C1 C2 Ag2 128.1(5) . . ?
Ag1 C2 Ag2 81.7(2) . . ?
C1 C2 Ag3 96.8(5) . . ?
Ag1 C2 Ag3 94.9(2) . . ?
Ag2 C2 Ag3 79.40(19) . . ?
C1 C2 Ag7 86.9(4) . . ?
Ag1 C2 Ag7 92.3(2) . . ?
Ag2 C2 Ag7 81.81(18) . . ?
Ag3 C2 Ag7 158.6(3) . . ?
O2 S1 O3 117.6(7) . . ?
O2 S1 O1 111.6(6) . . ?
O3 S1 O1 110.7(7) . . ?
O2 S1 C3 105.2(5) . . ?
O3 S1 C3 104.3(4) . . ?
O1 S1 C3 106.4(4) . . ?
S1 O1 Ag7 149.8(6) . 4_576 ?
S1 O2 Ag2 115.4(5) . . ?
F11 C3 F12 106.3(8) . . ?
F11 C3 F13 109.9(9) . . ?
F12 C3 F13 105.7(7) . . ?
F11 C3 S1 111.5(6) . . ?
F12 C3 S1 112.2(6) . . ?
F13 C3 S1 111.0(6) . . ?
O6 S2 O5 115.7(3) . . ?
O6 S2 O4 113.9(3) . . ?
O5 S2 O4 114.3(3) . . ?
O6 S2 C4 102.4(3) . . ?
O5 S2 C4 104.5(3) . . ?
O4 S2 C4 103.9(3) . . ?
F22 C4 F23 108.3(6) . . ?
F22 C4 F21 108.2(6) . . ?
F23 C4 F21 107.5(6) . . ?
F22 C4 S2 112.3(5) . . ?
F23 C4 S2 110.4(5) . . ?
F21 C4 S2 110.0(5) . . ?
O7 S3 O9 117.0(4) . . ?
O7 S3 O8 115.0(4) . . ?
O9 S3 O8 112.4(4) . . ?
O7 S3 C5 103.2(3) . . ?
O9 S3 C5 104.0(3) . . ?
O8 S3 C5 103.0(3) . . ?
F31 C5 F33 107.0(6) . . ?
F31 C5 F32 108.5(6) . . ?
F33 C5 F32 105.1(6) . . ?
F31 C5 S3 112.2(5) . . ?
F33 C5 S3 112.6(5) . . ?
F32 C5 S3 111.1(5) . . ?
O12 S4 O11 114.5(3) . . ?
O12 S4 O10 115.4(3) . . ?
O11 S4 O10 115.5(3) . . ?
O12 S4 C6 104.0(3) . . ?
O11 S4 C6 103.1(3) . . ?
O10 S4 C6 101.8(3) . . ?
S4 O10 Ag4 128.5(3) . . ?
S4 O11 Ag1 147.2(3) . . ?
F42 C6 F43 108.0(6) . . ?
F42 C6 F41 107.5(6) . . ?
F43 C6 F41 107.1(6) . . ?
F42 C6 S4 110.8(5) . . ?
F43 C6 S4 111.6(5) . . ?
F41 C6 S4 111.5(5) . . ?
O14 S5 O15 114.9(3) . . ?
O14 S5 O13 115.0(3) . . ?
O15 S5 O13 114.4(3) . . ?
O14 S5 C7 105.3(3) . . ?
O15 S5 C7 102.5(3) . . ?
O13 S5 C7 102.5(3) . . ?
S5 O13 Ag3 134.8(3) . . ?
S5 O15 Ag6 135.7(3) . . ?
F52 C7 F51 108.4(6) . . ?
F52 C7 F53 107.9(6) . . ?
F51 C7 F53 106.8(5) . . ?
F52 C7 S5 111.7(4) . . ?
F51 C7 S5 111.2(5) . . ?
F53 C7 S5 110.6(5) . . ?
C12 N1 C8 120.8(5) . . ?
C12 N1 O16 119.5(5) . . ?
C8 N1 O16 119.7(5) . . ?
C18 N2 C19 120.3(5) . . ?
C18 N2 O17 120.6(5) . . ?
C19 N2 O17 119.1(4) . . ?
N1 O16 Ag3 115.4(3) . . ?
N2 O17 Ag1 122.4(3) . 4_475 ?
N2 O17 Ag5 119.7(3) . 1_455 ?
Ag1 O17 Ag5 110.88(16) 4_475 1_455 ?
N1 C8 C9 120.0(6) . . ?
C8 C9 C10 121.9(6) . . ?
C11 C10 C9 115.6(5) . . ?
C11 C10 C13 121.5(5) . . ?
C9 C10 C13 122.9(5) . . ?
C10 C11 C12 121.7(6) . . ?
N1 C12 C11 119.9(6) . . ?
C10 C13 C14 114.6(5) . . ?
C13 C14 C15 113.0(5) . . ?
C16 C15 C14 112.5(5) . . ?
C17 C16 C20 116.5(5) . . ?
C17 C16 C15 121.5(5) . . ?
C20 C16 C15 122.0(5) . . ?
C18 C17 C16 121.3(5) . . ?
N2 C18 C17 120.3(5) . . ?
N2 C19 C20 121.1(5) . . ?
C19 C20 C16 120.4(5) . . ?
C25 N3 C21 121.4(5) . . ?
C25 N3 O18 118.8(5) . . ?
C21 N3 O18 119.8(5) . . ?
C31 N4 C32 120.9(5) . . ?
C31 N4 O19 119.3(5) . . ?
C32 N4 O19 119.8(5) . . ?
N3 O18 Ag6 114.4(3) . 4_576 ?
N3 O18 Ag1 128.4(3) . . ?
Ag6 O18 Ag1 112.83(17) 4_576 . ?
N4 O19 Ag5 128.7(3) . 4_475 ?
N4 O19 Ag2 123.7(3) . 4_475 ?
Ag5 O19 Ag2 106.00(14) 4_475 4_475 ?
N3 C21 C22 119.7(6) . . ?
C21 C22 C23 121.0(6) . . ?
C24 C23 C22 116.6(5) . . ?
C24 C23 C26 121.7(5) . . ?
C22 C23 C26 121.6(5) . . ?
C25 C24 C23 121.2(6) . . ?
N3 C25 C24 120.1(6) . . ?
C23 C26 C27 112.1(5) . . ?
C28 C27 C26 114.5(5) . . ?
C29 C28 C27 114.5(5) . . ?
C33 C29 C30 116.6(5) . . ?
C33 C29 C28 122.3(5) . . ?
C30 C29 C28 121.2(5) . . ?
C31 C30 C29 120.8(5) . . ?
N4 C31 C30 120.5(5) . . ?
N4 C32 C33 119.8(5) . . ?
C32 C33 C29 121.5(5) . . ?
Ag2 O1W Ag4 111.07(18) . 4_576 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C2 2.134(6) . ?
Ag1 O17 2.262(4) 4_676 ?
Ag1 O11 2.405(4) . ?
Ag1 O18 2.470(4) . ?
Ag1 Ag2 2.8629(7) . ?
Ag1 Ag7 3.2604(9) . ?
Ag1 Ag3 3.2854(8) . ?
Ag2 C2 2.240(6) . ?
Ag2 O1W 2.312(4) . ?
Ag2 O19 2.423(4) 4_676 ?
Ag2 O2 2.555(9) . ?
Ag2 Ag3 2.9137(7) . ?
Ag2 Ag7 3.0273(8) . ?
Ag3 C2 2.320(6) . ?
Ag3 O16 2.333(4) . ?
Ag3 O13 2.379(4) . ?
Ag4 C1 2.277(6) . ?
Ag4 O10 2.294(4) . ?
Ag4 O1W 2.438(4) 4_575 ?
Ag4 Ag6 2.9116(9) . ?
Ag4 Ag7 3.0540(9) . ?
Ag5 C1 2.318(6) . ?
Ag5 O17 2.333(4) 1_655 ?
Ag5 O19 2.411(4) 4_676 ?
Ag5 Ag6 2.8044(8) . ?
Ag5 Ag7 3.2952(9) . ?
Ag6 C1 2.122(6) . ?
Ag6 O18 2.202(4) 4_575 ?
Ag6 O15 2.430(4) . ?
Ag7 O2W 2.275(5) . ?
Ag7 C2 2.380(6) . ?
Ag7 O1 2.480(8) 4_575 ?
Ag7 C1 2.599(6) . ?
C1 C2 1.182(8) . ?
S1 O2 1.360(7) . ?
S1 O3 1.388(7) . ?
S1 O1 1.398(7) . ?
S1 C3 1.812(8) . ?
O1 Ag7 2.480(8) 4_576 ?
C3 F11 1.270(9) . ?
C3 F12 1.290(9) . ?
C3 F13 1.295(10) . ?
S2 O6 1.435(5) . ?
S2 O5 1.439(4) . ?
S2 O4 1.446(4) . ?
S2 C4 1.812(7) . ?
C4 F22 1.313(8) . ?
C4 F23 1.323(9) . ?
C4 F21 1.327(8) . ?
S3 O7 1.399(5) . ?
S3 O9 1.415(5) . ?
S3 O8 1.440(6) . ?
S3 C5 1.819(7) . ?
C5 F31 1.307(8) . ?
C5 F33 1.310(8) . ?
C5 F32 1.315(8) . ?
S4 O12 1.423(4) . ?
S4 O11 1.433(5) . ?
S4 O10 1.437(5) . ?
S4 C6 1.816(7) . ?
C6 F42 1.316(8) . ?
C6 F43 1.322(8) . ?
C6 F41 1.323(8) . ?
S5 O14 1.424(5) . ?
S5 O15 1.440(5) . ?
S5 O13 1.445(4) . ?
S5 C7 1.820(7) . ?
C7 F52 1.305(8) . ?
C7 F51 1.318(7) . ?
C7 F53 1.333(7) . ?
N1 C12 1.325(8) . ?
N1 C8 1.337(8) . ?
N1 O16 1.352(6) . ?
N2 C18 1.335(7) . ?
N2 C19 1.335(7) . ?
N2 O17 1.347(6) . ?
O17 Ag1 2.262(4) 4_475 ?
O17 Ag5 2.333(4) 1_455 ?
C8 C9 1.367(8) . ?
C9 C10 1.385(8) . ?
C10 C11 1.371(8) . ?
C10 C13 1.509(8) . ?
C11 C12 1.384(9) . ?
C13 C14 1.514(8) . ?
C14 C15 1.537(8) . ?
C15 C16 1.504(8) . ?
C16 C17 1.384(8) . ?
C16 C20 1.387(8) . ?
C17 C18 1.372(8) . ?
C19 C20 1.370(8) . ?
N3 C25 1.331(8) . ?
N3 C21 1.336(8) . ?
N3 O18 1.356(6) . ?
N4 C31 1.341(7) . ?
N4 C32 1.341(7) . ?
N4 O19 1.350(6) . ?
O18 Ag6 2.202(4) 4_576 ?
O19 Ag5 2.411(4) 4_475 ?
O19 Ag2 2.423(4) 4_475 ?
C21 C22 1.366(9) . ?
C22 C23 1.392(8) . ?
C23 C24 1.373(8) . ?
C23 C26 1.500(8) . ?
C24 C25 1.368(9) . ?
C26 C27 1.533(9) . ?
C27 C28 1.517(9) . ?
C28 C29 1.501(7) . ?
C29 C33 1.379(8) . ?
C29 C30 1.396(8) . ?
C30 C31 1.363(8) . ?
C32 C33 1.375(8) . ?
O1W Ag4 2.438(4) 4_576 ?
