#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:59:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180459 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/28/7212848.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_7212848
loop_
_publ_author_name
'Lee, So Young'
'Lee, Shim Sung'
_publ_section_title
;
 Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle:
 cyclic oligomer and 2-D coordination polymers
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3471
_journal_paper_doi               10.1039/c0ce00182a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C82 H102 Ag4 B4 F16 O10 S8'
_chemical_formula_weight         2282.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                112.100(7)
_cell_angle_beta                 107.570(6)
_cell_angle_gamma                91.354(7)
_cell_formula_units_Z            1
_cell_length_a                   12.851(2)
_cell_length_b                   13.297(2)
_cell_length_c                   14.903(2)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.18
_cell_volume                     2222.1(6)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41758
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.147
_exptl_absorpt_correction_T_max  0.8378
_exptl_absorpt_correction_T_min  0.7784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1154
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.360
_refine_diff_density_min         -1.633
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     654
_refine_ls_number_reflns         8729
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0506
_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)+(0.0451P)²+8.6174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1243
_reflns_number_gt                7837
_reflns_number_total             8729
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00182a.txt
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2222.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212848
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.18022(3) 0.17296(3) 0.32705(3) 0.04415(12) Uani 1 1 d . . .
Ag2 Ag -0.05934(3) 0.59571(4) 0.80047(3) 0.05693(14) Uani 1 1 d . . .
B1 B -0.1383(4) 0.1512(6) 0.2015(5) 0.0548(16) Uani 1 1 d . . .
B2 B -0.2256(8) 0.3927(6) 0.8208(5) 0.079(3) Uani 1 1 d . . .
F1 F -0.1363(10) 0.0269(7) 0.1695(8) 0.077(3) Uani 0.475(11) 1 d P A 1
F1' F -0.0753(8) 0.0918(10) 0.2216(7) 0.086(3) Uani 0.525(11) 1 d P A 2
F2 F -0.0364(7) 0.1849(9) 0.2050(7) 0.074(3) Uani 0.475(11) 1 d P A 1
F2' F -0.0844(10) 0.2296(9) 0.1760(12) 0.124(4) Uani 0.525(11) 1 d P A 2
F3 F -0.2177(17) 0.154(2) 0.126(2) 0.088(8) Uani 0.475(11) 1 d P A 1
F3' F -0.2355(16) 0.1159(19) 0.126(2) 0.082(6) Uani 0.525(11) 1 d P A 2
F4 F -0.1528(11) 0.1828(9) 0.2916(11) 0.049(3) Uani 0.475(11) 1 d P A 1
F4' F -0.1629(13) 0.2268(15) 0.2904(12) 0.116(6) Uani 0.525(11) 1 d P A 2
F5 F -0.1377(5) 0.3996(4) 0.7745(4) 0.0656(18) Uani 0.674(9) 1 d P B 1
F5' F -0.3320(13) 0.3416(14) 0.8404(19) 0.142(9) Uani 0.326(9) 1 d P B 2
F6 F -0.1785(4) 0.3451(4) 0.8803(3) 0.1127(17) Uani 1 1 d . B .
F7 F -0.2369(6) 0.4970(4) 0.8604(7) 0.170(3) Uani 1 1 d . B .
F8 F -0.3055(6) 0.3338(6) 0.7395(5) 0.149(2) Uani 1 1 d U B .
S1 S 0.14891(11) -0.00470(10) 0.17176(14) 0.0682(5) Uani 1 1 d . . .
S2 S 0.21215(8) 0.30748(8) 0.25064(7) 0.0322(2) Uani 1 1 d . . .
S3 S 0.14870(8) 0.24842(7) 0.49290(8) 0.0290(2) Uani 1 1 d . . .
S4 S 0.11094(17) 0.55714(18) 0.75820(16) 0.0313(6) Uani 0.474(4) 1 d P A 1
S4' S 0.08686(17) 0.47143(19) 0.78671(15) 0.0375(6) Uani 0.526(4) 1 d P A 2
O1 O 0.3817(4) 0.1165(3) 0.3672(3) 0.0634(11) Uani 1 1 d . . .
O2 O 0.4124(3) 0.3444(2) 0.4978(2) 0.0450(8) Uani 1 1 d . C .
O3 O 0.1999(3) 0.1068(2) 0.6358(2) 0.0420(7) Uani 1 1 d . . .
O4 O 0.3133(3) 0.3900(3) 0.8677(2) 0.0431(7) Uani 1 1 d . A .
O5 O -0.0103(4) 0.6652(5) 0.9857(3) 0.0915(17) Uani 1 1 d . A .
C1 C 0.5068(8) 0.2056(7) 0.5395(7) 0.039(2) Uani 0.658(15) 1 d P C 1
H1A H 0.5598 0.2234 0.5110 0.047 Uiso 0.658(15) 1 calc PR C 1
H1B H 0.5473 0.1877 0.5965 0.047 Uiso 0.658(15) 1 calc PR C 1
C1' C 0.4501(15) 0.1961(11) 0.5564(11) 0.040(4) Uani 0.342(15) 1 d P C 2
H1'A H 0.3749 0.1586 0.5314 0.048 Uiso 0.342(15) 1 calc PR C 2
H1'B H 0.4923 0.1828 0.6158 0.048 Uiso 0.342(15) 1 calc PR C 2
C2 C 0.4262(7) 0.1054(6) 0.4582(6) 0.044(2) Uani 0.658(15) 1 d P C 1
H2A H 0.4639 0.0417 0.4467 0.052 Uiso 0.658(15) 1 calc PR C 1
H2B H 0.3673 0.0930 0.4827 0.052 Uiso 0.658(15) 1 calc PR C 1
C2' C 0.5008(11) 0.1581(13) 0.4752(13) 0.043(4) Uani 0.342(15) 1 d P C 2
H2'A H 0.5404 0.0975 0.4776 0.052 Uiso 0.342(15) 1 calc PR C 2
H2'B H 0.5499 0.2171 0.4788 0.052 Uiso 0.342(15) 1 calc PR C 2
C3 C 0.4279(4) 0.0793(4) 0.2904(4) 0.0446(11) Uani 1 1 d . C .
C4 C 0.5196(4) 0.1385(5) 0.2949(5) 0.0570(15) Uani 1 1 d . . .
H4A H 0.5532 0.2042 0.3512 0.068 Uiso 1 1 calc R C .
C5 C 0.5613(4) 0.1005(6) 0.2162(6) 0.0694(19) Uani 1 1 d . C .
H5A H 0.6238 0.1403 0.2194 0.083 Uiso 1 1 calc R . .
C6 C 0.5124(5) 0.0048(5) 0.1332(5) 0.0629(14) Uani 1 1 d U . .
H10C H 0.5422 -0.0212 0.0806 0.075 Uiso 1 1 calc R C .
C7 C 0.4171(4) -0.0544(5) 0.1270(4) 0.0616(15) Uani 1 1 d . C .
H7A H 0.3829 -0.1191 0.0697 0.074 Uiso 1 1 calc R . .
C8 C 0.3739(4) -0.0171(4) 0.2058(4) 0.0471(12) Uani 1 1 d . . .
C9 C 0.2677(5) -0.0755(4) 0.1976(6) 0.072(2) Uani 1 1 d . C .
H9A H 0.2774 -0.0841 0.2614 0.086 Uiso 1 1 calc R . .
H9B H 0.2520 -0.1484 0.1430 0.086 Uiso 1 1 calc R . .
C10 C 0.1538(4) 0.0172(5) 0.0595(4) 0.0693(19) Uani 1 1 d . . .
H10A H 0.2243 0.0015 0.0506 0.083 Uiso 1 1 calc R . .
H10B H 0.0964 -0.0355 -0.0006 0.083 Uiso 1 1 calc R . .
C11 C 0.1398(4) 0.1304(5) 0.0628(4) 0.0624(17) Uani 1 1 d . . .
H11A H 0.0760 0.1515 0.0834 0.075 Uiso 1 1 calc R . .
H11B H 0.1242 0.1276 -0.0060 0.075 Uiso 1 1 calc R . .
C12 C 0.2406(4) 0.2201(4) 0.1364(4) 0.0496(12) Uani 1 1 d . . .
H12A H 0.2570 0.2641 0.1018 0.060 Uiso 1 1 calc R . .
H12B H 0.3046 0.1859 0.1557 0.060 Uiso 1 1 calc R . .
C13 C 0.3431(3) 0.3999(3) 0.3304(3) 0.0317(8) Uani 1 1 d . . .
H13A H 0.4029 0.3578 0.3401 0.038 Uiso 1 1 calc R . .
H13B H 0.3589 0.4461 0.2975 0.038 Uiso 1 1 calc R . .
C14 C 0.3323(3) 0.4694(3) 0.4321(3) 0.0285(8) Uani 1 1 d . . .
C15 C 0.2834(3) 0.5636(3) 0.4442(3) 0.0326(9) Uani 1 1 d . . .
H15A H 0.2586 0.5839 0.3890 0.039 Uiso 1 1 calc R . .
C16 C 0.2710(4) 0.6277(3) 0.5367(3) 0.0375(9) Uani 1 1 d . . .
H16A H 0.2367 0.6896 0.5433 0.045 Uiso 1 1 calc R . .
C17 C 0.3103(4) 0.5987(4) 0.6193(3) 0.0396(10) Uani 1 1 d . . .
H17A H 0.3035 0.6423 0.6822 0.048 Uiso 1 1 calc R . .
C18 C 0.3596(4) 0.5055(3) 0.6095(3) 0.0385(10) Uani 1 1 d . . .
H18A H 0.3865 0.4872 0.6658 0.046 Uiso 1 1 calc R . .
C19 C 0.3690(3) 0.4396(3) 0.5161(3) 0.0316(9) Uani 1 1 d . . .
C20 C 0.4519(4) 0.3113(4) 0.5823(4) 0.0458(11) Uani 1 1 d . . .
H20A H 0.3912 0.2936 0.6026 0.055 Uiso 0.475(11) 1 calc PR A 1
H20B H 0.5057 0.3692 0.6411 0.055 Uiso 0.475(11) 1 calc PR A 1
H20C H 0.5249 0.3525 0.6255 0.055 Uiso 0.525(11) 1 d PR A 2
H20D H 0.4036 0.3314 0.6232 0.055 Uiso 0.525(11) 1 d PR A 2
C21 C 0.2671(4) 0.1962(4) 0.8155(4) 0.0495(12) Uani 1 1 d . A .
H21A H 0.2887 0.1836 0.8782 0.059 Uiso 1 1 calc R . .
H21B H 0.1946 0.2186 0.8056 0.059 Uiso 1 1 calc R . .
C22 C 0.2611(4) 0.0912(4) 0.7261(4) 0.0486(12) Uani 1 1 d . . .
H22A H 0.3347 0.0771 0.7254 0.058 Uiso 1 1 calc R . .
H22B H 0.2239 0.0295 0.7302 0.058 Uiso 1 1 calc R . .
C23 C 0.1764(3) 0.0221(3) 0.5422(4) 0.0370(9) Uani 1 1 d . . .
C24 C 0.2233(4) -0.0741(4) 0.5253(4) 0.0433(11) Uani 1 1 d . . .
H24A H 0.2738 -0.0840 0.5798 0.052 Uiso 1 1 calc R . .
C25 C 0.1937(4) -0.1539(4) 0.4272(4) 0.0465(12) Uani 1 1 d . . .
H25A H 0.2258 -0.2175 0.4157 0.056 Uiso 1 1 calc R . .
C26 C 0.1173(4) -0.1420(4) 0.3451(4) 0.0450(11) Uani 1 1 d . . .
H26A H 0.0978 -0.1971 0.2792 0.054 Uiso 1 1 calc R . .
C27 C 0.0700(3) -0.0463(3) 0.3628(4) 0.0379(9) Uani 1 1 d . . .
H27A H 0.0183 -0.0376 0.3082 0.045 Uiso 1 1 calc R . .
C28 C 0.0989(3) 0.0359(3) 0.4602(3) 0.0330(9) Uani 1 1 d . . .
C29 C 0.0489(3) 0.1391(3) 0.4794(3) 0.0306(8) Uani 1 1 d . . .
H29A H 0.0300 0.1594 0.5416 0.037 Uiso 1 1 calc R . .
H29B H -0.0181 0.1278 0.4225 0.037 Uiso 1 1 calc R . .
C30 C 0.0654(3) 0.3571(3) 0.4934(3) 0.0342(9) Uani 1 1 d . A .
H30A H 0.1102 0.4203 0.4989 0.041 Uiso 1 1 calc R . .
H30B H 0.0045 0.3319 0.4288 0.041 Uiso 1 1 calc R . .
C31 C 0.0199(4) 0.3913(5) 0.5812(4) 0.0599(16) Uani 1 1 d . . .
H31A H -0.0448 0.3374 0.5587 0.072 Uiso 0.475(11) 1 calc PR A 1
H31B H -0.0070 0.4599 0.5852 0.072 Uiso 0.475(11) 1 calc PR A 1
H31C H -0.0032 0.3280 0.5920 0.072 Uiso 0.525(11) 1 d PR A 2
H31D H -0.0423 0.4300 0.5684 0.072 Uiso 0.525(11) 1 d PR A 2
C32' C 0.1252(6) 0.4702(7) 0.6804(6) 0.035(2) Uani 0.525(11) 1 d P A 2
H32A H 0.1347 0.5436 0.6821 0.042 Uiso 0.525(11) 1 calc PR A 2
H32B H 0.1929 0.4396 0.6798 0.042 Uiso 0.525(11) 1 calc PR A 2
C32 C 0.0836(8) 0.4086(8) 0.6928(7) 0.038(3) Uani 0.475(11) 1 d P A 1
H32C H 0.1516 0.3776 0.6978 0.045 Uiso 0.475(11) 1 calc PR A 1
H32D H 0.0390 0.3764 0.7202 0.045 Uiso 0.475(11) 1 calc PR A 1
C33 C 0.2063(4) 0.5743(5) 0.8914(4) 0.0596(15) Uani 1 1 d . . .
H33A H 0.2015 0.6429 0.9437 0.072 Uiso 0.475(11) 1 calc PR A 1
H33B H 0.1862 0.5142 0.9079 0.072 Uiso 0.475(11) 1 calc PR A 1
H33C H 0.1879 0.6465 0.8982 0.072 Uiso 0.525(11) 1 d PR A 2
H33D H 0.2100 0.5680 0.9550 0.072 Uiso 0.525(11) 1 d PR A 2
C34 C 0.3205(4) 0.5739(4) 0.8860(3) 0.0429(11) Uani 1 1 d . A .
C35 C 0.3788(5) 0.6689(4) 0.8949(3) 0.0519(13) Uani 1 1 d . . .
H35A H 0.3446 0.7309 0.9012 0.062 Uiso 1 1 calc R A .
C36 C 0.4859(5) 0.6730(4) 0.8945(4) 0.0533(13) Uani 1 1 d . A .
H36A H 0.5236 0.7374 0.9010 0.064 Uiso 1 1 calc R . .
C37 C 0.5365(4) 0.5823(4) 0.8846(3) 0.0464(11) Uani 1 1 d . . .
H37A H 0.6090 0.5851 0.8849 0.056 Uiso 1 1 calc R A .
C38 C 0.4808(4) 0.4860(4) 0.8743(3) 0.0385(9) Uani 1 1 d . A .
H38A H 0.5156 0.4242 0.8668 0.046 Uiso 1 1 calc R . .
C39 C 0.3730(4) 0.4813(4) 0.8750(3) 0.0362(9) Uani 1 1 d . . .
C40 C 0.3493(4) 0.2871(4) 0.8264(4) 0.0444(10) Uani 1 1 d . . .
H40A H 0.4217 0.2872 0.8718 0.053 Uiso 1 1 calc R A .
H40B H 0.3549 0.2752 0.7598 0.053 Uiso 1 1 calc R . .
C41 C -0.0637(12) 0.7095(18) 1.0581(11) 0.062(6) Uani 0.44(4) 1 d PU A 1
H41A H -0.0118 0.7303 1.1261 0.093 Uiso 0.44(4) 1 calc PR A 1
H41B H -0.1229 0.6556 1.0463 0.093 Uiso 0.44(4) 1 calc PR A 1
H41C H -0.0931 0.7731 1.0514 0.093 Uiso 0.44(4) 1 calc PR A 1
C41' C -0.0721(16) 0.645(3) 1.0417(16) 0.113(7) Uani 0.56(4) 1 d PU A 2
H41D H -0.0326 0.6841 1.1139 0.170 Uiso 0.56(4) 1 calc PR A 2
H41E H -0.0841 0.5679 1.0253 0.170 Uiso 0.56(4) 1 calc PR A 2
H41F H -0.1420 0.6702 1.0245 0.170 Uiso 0.56(4) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
S3 Ag1 S1 141.45(4) . .
S3 Ag1 S2 117.27(4) . .
S1 Ag1 S2 99.17(5) . .
O5 Ag2 S2 103.78(12) . 2_566
O5 Ag2 S4 107.76(13) . .
S2 Ag2 S4 134.85(6) 2_566 .
O5 Ag2 S4' 96.19(12) . .
S2 Ag2 S4' 159.99(5) 2_566 .
S4 Ag2 S4' 32.82(7) . .
F1' B1 F3 140.5(14) . .
F1' B1 F4 91.8(8) . .
F3 B1 F4 117.4(14) . .
F1' B1 F3' 123.8(13) . .
F3 B1 F3' 23.9(18) . .
F4 B1 F3' 110.3(13) . .
F1' B1 F2 69.4(7) . .
F3 B1 F2 114.7(13) . .
F4 B1 F2 115.1(8) . .
F3' B1 F2 132.2(12) . .
F1' B1 F2' 109.6(7) . .
F3 B1 F2' 79.5(13) . .
F4 B1 F2' 120.3(9) . .
F3' B1 F2' 102.4(12) . .
F2 B1 F2' 40.8(5) . .
F1' B1 F4' 113.3(9) . .
F3 B1 F4' 102.1(14) . .
F4 B1 F4' 24.6(8) . .
F3' B1 F4' 104.7(13) . .
F2 B1 F4' 110.3(9) . .
F2' B1 F4' 100.1(11) . .
F1' B1 F1 41.8(6) . .
F3 B1 F1 102.3(12) . .
F4 B1 F1 103.4(7) . .
F3' B1 F1 82.3(11) . .
F2 B1 F1 100.5(7) . .
F2' B1 F1 129.9(7) . .
F4' B1 F1 127.3(9) . .
F8 B2 F6 116.5(8) . .
F8 B2 F7 114.0(7) . .
F6 B2 F7 120.1(7) . .
F8 B2 F5 100.0(6) . .
F6 B2 F5 100.2(6) . .
F7 B2 F5 100.8(7) . .
F8 B2 F5' 64.7(10) . .
F6 B2 F5' 77.6(8) . .
F7 B2 F5' 97.2(8) . .
F5 B2 F5' 160.2(9) . .
F8 F5' B2 46.0(5) . .
B2 F8 F5' 69.3(9) . .
C10 S1 C9 102.2(3) . .
C10 S1 Ag1 112.68(18) . .
C9 S1 Ag1 108.0(2) . .
C12 S2 C13 103.27(19) . .
C12 S2 Ag2 108.50(19) . 2_566
C13 S2 Ag2 112.93(15) . 2_566
C12 S2 Ag1 102.43(19) . .
C13 S2 Ag1 110.26(14) . .
Ag2 S2 Ag1 117.87(4) 2_566 .
C30 S3 C29 101.64(19) . .
C30 S3 Ag1 108.20(15) . .
C29 S3 Ag1 102.10(14) . .
C32 S4 C33 100.4(4) . .
C32 S4 Ag2 101.3(3) . .
C33 S4 Ag2 98.23(19) . .
C32' S4' C33 97.3(3) . .
C32' S4' Ag2 105.8(3) . .
C33 S4' Ag2 97.14(19) . .
C2 O1 C3 121.5(5) . .
C2 O1 C2' 38.1(6) . .
C3 O1 C2' 100.0(7) . .
C19 O2 C20 117.4(4) . .
C23 O3 C22 119.0(3) . .
C39 O4 C40 117.3(3) . .
C41' O5 C41 32.7(10) . .
C41' O5 Ag2 127.6(10) . .
C41 O5 Ag2 136.7(7) . .
C2 C1 C20 114.6(7) . .
C20 C1' C2' 105.0(13) . .
O1 C2 C1 112.1(6) . .
C1' C2' O1 99.4(10) . .
C4 C3 O1 121.2(5) . .
C4 C3 C8 121.5(5) . .
O1 C3 C8 117.1(4) . .
C5 C4 C3 119.6(5) . .
C6 C5 C4 120.6(5) . .
C5 C6 C7 120.0(6) . .
C8 C7 C6 120.1(5) . .
C7 C8 C3 118.2(5) . .
C7 C8 C9 120.9(5) . .
C3 C8 C9 120.9(5) . .
C8 C9 S1 113.9(4) . .
C11 C10 S1 115.8(4) . .
C10 C11 C12 114.7(5) . .
C11 C12 S2 110.1(3) . .
C14 C13 S2 107.8(3) . .
C15 C14 C19 118.7(4) . .
C15 C14 C13 120.3(3) . .
C19 C14 C13 120.9(4) . .
C16 C15 C14 121.2(4) . .
C15 C16 C17 119.2(4) . .
C16 C17 C18 120.7(4) . .
C19 C18 C17 120.1(4) . .
O2 C19 C18 124.4(4) . .
O2 C19 C14 115.6(4) . .
C18 C19 C14 120.0(4) . .
C1' C20 O2 116.7(7) . .
C1' C20 C1 32.6(7) . .
O2 C20 C1 104.9(5) . .
C22 C21 C40 111.4(4) . .
O3 C22 C21 105.8(4) . .
O3 C23 C24 124.3(4) . .
O3 C23 C28 115.5(4) . .
C24 C23 C28 120.2(4) . .
C25 C24 C23 119.2(4) . .
C24 C25 C26 121.6(4) . .
C25 C26 C27 118.9(5) . .
C28 C27 C26 120.8(4) . .
C27 C28 C23 119.3(4) . .
C27 C28 C29 121.0(4) . .
C23 C28 C29 119.7(4) . .
C28 C29 S3 108.7(3) . .
C31 C30 S3 112.2(3) . .
C30 C31 C32 126.0(5) . .
C30 C31 C32' 103.5(5) . .
C32 C31 C32' 39.2(5) . .
C31 C32' S4' 102.7(5) . .
C31 C32 S4 102.1(5) . .
C34 C33 S4' 121.6(4) . .
C34 C33 S4 106.0(4) . .
S4' C33 S4 43.82(14) . .
C35 C34 C39 118.2(5) . .
C35 C34 C33 119.9(5) . .
C39 C34 C33 121.9(5) . .
C36 C35 C34 121.5(5) . .
C37 C36 C35 119.7(5) . .
C36 C37 C38 120.5(5) . .
C37 C38 C39 120.2(5) . .
O4 C39 C38 123.6(4) . .
O4 C39 C34 116.4(4) . .
C38 C39 C34 120.0(4) . .
O4 C40 C21 109.1(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S3 2.4571(11) .
Ag1 S1 2.5254(14) .
Ag1 S2 2.5385(11) .
Ag2 O5 2.423(4) .
Ag2 S2 2.4592(12) 2_566
Ag2 S4 2.468(2) .
Ag2 S4' 2.535(2) .
B1 F1' 1.196(10) .
B1 F3 1.28(2) .
B1 F4 1.321(14) .
B1 F3' 1.33(2) .
B1 F2 1.353(9) .
B1 F2' 1.459(11) .
B1 F4' 1.461(15) .
B1 F1 1.542(11) .
B2 F8 1.278(9) .
B2 F6 1.292(8) .
B2 F7 1.319(8) .
B2 F5 1.508(12) .
B2 F5' 1.663(16) .
F5' F8 1.607(19) .
S1 C10 1.821(7) .
S1 C9 1.831(7) .
S2 C12 1.814(5) .
S2 C13 1.830(4) .
S2 Ag2 2.4592(12) 2_566
S3 C30 1.817(4) .
S3 C29 1.826(4) .
S4 C32 1.813(10) .
S4 C33 1.917(6) .
S4' C32' 1.790(8) .
S4' C33 1.874(6) .
O1 C2 1.370(8) .
O1 C3 1.381(6) .
O1 C2' 1.745(14) .
O2 C19 1.361(5) .
O2 C20 1.442(5) .
O3 C23 1.361(6) .
O3 C22 1.433(5) .
O4 C39 1.372(5) .
O4 C40 1.425(6) .
O5 C41' 1.40(2) .
O5 C41 1.405(15) .
C1 C2 1.509(12) .
C1 C20 1.589(10) .
C1' C20 1.429(14) .
C1' C2' 1.47(3) .
C3 C4 1.371(7) .
C3 C8 1.387(6) .
C4 C5 1.365(9) .
C5 C6 1.361(9) .
C6 C7 1.400(8) .
C7 C8 1.379(7) .
C8 C9 1.503(6) .
C10 C11 1.505(9) .
C11 C12 1.546(6) .
C13 C14 1.500(6) .
C14 C15 1.390(6) .
C14 C19 1.404(5) .
C15 C16 1.380(6) .
C16 C17 1.382(6) .
C17 C18 1.385(7) .
C18 C19 1.381(6) .
C21 C22 1.505(7) .
C21 C40 1.514(7) .
C23 C24 1.395(6) .
C23 C28 1.400(6) .
C24 C25 1.374(7) .
C25 C26 1.383(7) .
C26 C27 1.393(6) .
C27 C28 1.379(6) .
C28 C29 1.496(5) .
C30 C31 1.513(7) .
C31 C32 1.539(10) .
C31 C32' 1.635(9) .
C33 C34 1.493(7) .
C34 C35 1.394(7) .
C34 C39 1.397(6) .
C35 C36 1.379(8) .
C36 C37 1.365(8) .
C37 C38 1.385(7) .
C38 C39 1.388(6) .
