#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/75/2007517.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2007517
loop_
_publ_author_name
'Kammermeier, Stefan'
'Jones, Peter G.'
'Dix, Ina'
'Herges, Rainer'
_publ_section_title
;
 A Silver(I) Complex of a Tube-Shaped Hydrocarbon
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1078
_journal_page_last               1081
_journal_paper_doi               10.1107/S0108270198002406
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac
'[Ag~2~(C~56~H~32~)(C~7~H~8~)~2~(H~2~O)~2~](CF~3~SO~3~)~2~'
_chemical_formula_moiety         '(C70 H52 Ag2 O2) 2+ , 2(C F3 S O3) 1-'
_chemical_formula_sum            'C72 H52 Ag2 F6 O8 S2'
_chemical_formula_weight         1439.00
_chemical_name_systematic
;
[μ-(4,7-η:16,19-η)-5,24:6,11:12,17:18,23-tetra[1,2]benzeno-
tetrabenzo[a,e,i,m]cyclohexadecene]bis{aqua[(2,3-η)toluene]silver(I)}
bis(trifluoromethanesulfonate)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                114.161(6)
_cell_angle_beta                 95.894(4)
_cell_angle_gamma                92.468(6)
_cell_formula_units_Z            1
_cell_length_a                   10.9634(8)
_cell_length_b                   11.1491(8)
_cell_length_c                   13.2319(10)
_cell_measurement_reflns_used    63
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      4.3
_cell_volume                     1461.4(2)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Fait, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'XP (Siemens, 1994b)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_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  0.014
_diffrn_reflns_av_sigmaI/netI    0.034
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5254
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 247
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   '\y scan (XEMP; Siemens, 1994a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.973
_refine_diff_density_min         -0.720
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.051
_refine_ls_goodness_of_fit_obs   1.122
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         4967
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.051
_refine_ls_restrained_S_obs      1.122
_refine_ls_R_factor_all          0.044
_refine_ls_R_factor_obs          .034
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0385P)²+1.0074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.080
_refine_ls_wR_factor_obs         .077
_reflns_number_observed          4133
_reflns_number_total             4967
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            fg1410.cif
_cod_data_source_block           hati
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0385P)^2^+1.0074P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0385P)^2^+1.0074P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2007517
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ag .19093(3) .42410(3) .19876(2) .03187(10) Uani d . 1 . Ag
C1 .1990(2) .6575(3) .5145(2) .0143(6) Uani d . 1 . C
C2 .2730(2) .5482(3) .4504(2) .0148(6) Uani d . 1 . C
C3 .2859(2) .4464(3) .4868(2) .0146(6) Uani d . 1 . C
C4 .2226(2) .4570(3) .5848(2) .0143(6) Uani d . 1 . C
C5 .2507(2) .5951(3) .6727(2) .0143(6) Uani d . 1 . C
C6 .2393(2) .6982(3) .6369(2) .0152(6) Uani d . 1 . C
C7 .3449(2) .5535(3) .3710(2) .0178(6) Uani d . 1 . C
H7 .3406(2) .6247(3) .3493(2) .021 Uiso calc R 1 . H
C8 .4232(3) .4555(3) .3225(2) .0203(6) Uani d . 1 . C
H8 .4674(3) .4572(3) .2649(2) .024 Uiso calc R 1 . H
C9 .4357(3) .3566(3) .3589(2) .0202(6) Uani d . 1 . C
H9 .4890(3) .2901(3) .3267(2) .024 Uiso calc R 1 . H
C10 .3701(2) .3546(3) .4428(2) .0173(6) Uani d . 1 . C
H10 .3830(2) .2894(3) .4707(2) .021 Uiso calc R 1 . H
C11 .2851(3) .8260(3) .7099(2) .0187(6) Uani d . 1 . C
H11 .2808(3) .8946(3) .6849(2) .022 Uiso calc R 1 . H
C12 .3370(3) .8556(3) .8184(2) .0223(7) Uani d . 1 . C
H12 .3662(3) .9440(3) .8676(2) .027 Uiso calc R 1 . H
C13 .3462(3) .7557(3) .8548(2) .0212(6) Uani d . 1 . C
H13 .3803(3) .7756(3) .9295(2) .025 Uiso calc R 1 . H
C14 .3056(3) .6269(3) .7820(2) .0187(6) Uani d . 1 . C
H14 .3152(3) .5585(3) .8066(2) .022 Uiso calc R 1 . H
C15 .1059(2) .7039(3) .4698(2) .0144(6) Uani d . 1 . C
C16 .0576(3) .6542(3) .3483(2) .0147(6) Uani d . 1 . C
C17 -.0710(3) .6229(3) .3185(2) .0156(6) Uani d . 1 . C
C18 -.1437(2) .6384(3) .4125(2) .0137(6) Uani d . 1 . C
C19 -.1042(3) .7715(3) .5057(2) .0155(6) Uani d . 1 . C
C20 .0243(3) .8054(3) .5344(2) .0156(6) Uani d . 1 . C
C21 -.1249(3) .6011(3) .2117(2) .0182(6) Uani d . 1 . C
H21 -.2119(3) .5862(3) .1936(2) .022 Uiso calc R 1 . H
C22 -.0529(3) .6011(3) .1314(2) .0215(6) Uani d . 1 . C
H22 -.0904(3) .5816(3) .0578(2) .026 Uiso calc R 1 . H
C23 .0740(3) .6295(3) .1584(2) .0203(6) Uani d . 1 . C
H23 .1235(3) .6287(3) .1033(2) .024 Uiso calc R 1 . H
C24 .1282(3) .6590(3) .2668(2) .0168(6) Uani d . 1 . C
H24 .2144(3) .6829(3) .2861(2) .020 Uiso calc R 1 . H
C25 -.1832(3) .8676(3) .5528(2) .0201(6) Uani d . 1 . C
H25 -.2696(3) .8462(3) .5321(2) .024 Uiso calc R 1 . H
C26 -.1385(3) .9944(3) .6295(3) .0238(7) Uani d . 1 . C
H26 -.1939(3) 1.0576(3) .6638(3) .029 Uiso calc R 1 . H
C27 -.0135(3) 1.0277(3) .6554(2) .0222(7) Uani d . 1 . C
H27 .0176(3) 1.1145(3) .7071(2) .027 Uiso calc R 1 . H
C28 .0676(3) .9348(3) .6063(2) .0195(6) Uani d . 1 . C
H28 .1537(3) .9600(3) .6221(2) .023 Uiso calc R 1 . H
S .48796(10) .73193(11) .15674(10) .0503(3) Uani d . 1 . S
O1 .5589(3) .7792(3) .0928(3) .0626(9) Uani d . 1 . O
O2 .3587(3) .7301(4) .1344(3) .0928(13) Uani d . 1 . O
O3 .5251(4) .6166(4) .1662(4) .106(2) Uani d . 1 . O
C99 .5211(5) .8622(5) .2969(4) .0677(15) Uani d . 1 . C
F1 .4870(3) .9763(3) .3021(3) .0910(10) Uani d . 1 . F
F2 .6406(3) .8795(4) .3319(3) .133(2) Uani d . 1 . F
F3 .4619(4) .8333(3) .3693(2) .117(2) Uani d . 1 . F
O1W .2995(3) .4161(3) .0543(2) .0438(7) Uani d D 1 . O
H11' .332(4) .360(4) .017(4) .069(18) Uiso d D 1 . H
H12' .342(4) .476(4) .074(4) .070(18) Uiso d D 1 . H
C101 .0101(3) .2622(3) .1693(3) .0300(8) Uani d . 1 . C
H101 -.0288(3) .3169(3) .2308(3) .036 Uiso calc R 1 . H
C102 .1175(3) .2073(3) .1881(3) .0278(7) Uani d . 1 . C
H102 .1510(3) .2247(3) .2624(3) .033 Uiso calc R 1 . H
C103 .1764(3) .1264(3) .0983(3) .0289(7) Uani d . 1 . C
C104 .1238(3) .1033(3) -.0093(3) .0306(8) Uani d . 1 . C
H104 .1624(3) .0496(3) -.0713(3) .037 Uiso calc R 1 . H
C105 .0164(3) .1569(3) -.0278(3) .0316(8) Uani d . 1 . C
H105 -.0186(3) .1382(3) -.1020(3) .038 Uiso calc R 1 . H
C106 -.0398(3) .2372(3) .0612(3) .0320(8) Uani d . 1 . C
H106 -.1125(3) .2752(3) .0485(3) .038 Uiso calc R 1 . H
C107 .2898(4) .0646(4) .1185(3) .0503(11) Uani d . 1 . C
H10A .3080(14) .086(2) .1984(5) .060 Uiso calc R 1 . H
H10B .3594(6) .0987(19) .094(2) .060 Uiso calc R 1 . H
H10C .2761(9) -.0314(4) .0764(17) .060 Uiso calc R 1 . H
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'
Ag Ag -0.8971 1.1015 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
O1W Ag C102 . 114.69(11) y
O1W Ag C101 . 122.50(11) y
C102 Ag C101 . 32.62(11) y
O1W Ag C7 . 102.51(10) y
C102 Ag C7 . 112.56(10) y
C101 Ag C7 . 130.55(10) y
O1W Ag C24 . 100.43(11) y
C102 Ag C24 . 139.71(10) y
C101 Ag C24 . 111.13(10) y
C7 Ag C24 . 76.12(9) y
C15 C1 C2 . 125.8(2) ?
C15 C1 C6 . 126.1(2) ?
C2 C1 C6 . 107.9(2) ?
C7 C2 C3 . 118.7(3) ?
C7 C2 C1 . 123.4(3) ?
C3 C2 C1 . 116.9(2) ?
C10 C3 C2 . 119.2(2) ?
C10 C3 C4 . 123.3(2) ?
C2 C3 C4 . 116.8(2) ?
C18 C4 C5 2_566 126.4(2) ?
C18 C4 C3 2_566 125.3(2) ?
C5 C4 C3 . 107.9(2) ?
C14 C5 C6 . 118.4(3) ?
C14 C5 C4 . 124.0(3) ?
C6 C5 C4 . 116.7(2) ?
C11 C6 C5 . 119.2(3) ?
C11 C6 C1 . 123.3(3) ?
C5 C6 C1 . 116.6(2) ?
C2 C7 C8 . 121.2(3) ?
C2 C7 Ag . 97.7(2) ?
C8 C7 Ag . 85.9(2) ?
C9 C8 C7 . 119.5(3) ?
C8 C9 C10 . 119.8(3) ?
C9 C10 C3 . 121.3(3) ?
C12 C11 C6 . 121.4(3) ?
C13 C12 C11 . 119.8(3) ?
C14 C13 C12 . 119.7(3) ?
C13 C14 C5 . 121.5(3) ?
C1 C15 C16 . 126.2(2) ?
C1 C15 C20 . 125.8(2) ?
C16 C15 C20 . 107.8(2) ?
C24 C16 C17 . 118.2(2) ?
C24 C16 C15 . 123.9(2) ?
C17 C16 C15 . 116.9(2) ?
C21 C17 C16 . 119.9(3) ?
C21 C17 C18 . 123.3(2) ?
C16 C17 C18 . 115.9(2) ?
C4 C18 C19 2_566 126.5(2) ?
C4 C18 C17 2_566 125.2(2) ?
C19 C18 C17 . 108.1(2) ?
C25 C19 C20 . 118.9(3) ?
C25 C19 C18 . 124.6(3) ?
C20 C19 C18 . 115.8(2) ?
C28 C20 C19 . 118.9(3) ?
C28 C20 C15 . 123.5(3) ?
C19 C20 C15 . 116.8(2) ?
C22 C21 C17 . 120.7(3) ?
C21 C22 C23 . 120.2(3) ?
C22 C23 C24 . 119.5(3) ?
C23 C24 C16 . 121.3(3) ?
C23 C24 Ag . 88.8(2) ?
C16 C24 Ag . 97.4(2) ?
C19 C25 C26 . 121.4(3) ?
C27 C26 C25 . 119.5(3) ?
C26 C27 C28 . 120.3(3) ?
C27 C28 C20 . 120.9(3) ?
O3 S O2 . 113.2(3) ?
O3 S O1 . 115.7(2) ?
O2 S O1 . 115.4(2) ?
O3 S C99 . 105.2(3) ?
O2 S C99 . 102.0(2) ?
O1 S C99 . 103.1(2) ?
F1 C99 F2 . 107.4(4) ?
F1 C99 F3 . 107.1(5) ?
F2 C99 F3 . 108.3(4) ?
F1 C99 S . 112.2(3) ?
F2 C99 S . 110.5(4) ?
F3 C99 S . 111.2(3) ?
C106 C101 C102 . 120.1(3) ?
C106 C101 Ag . 101.0(2) ?
C102 C101 Ag . 71.7(2) ?
C101 C102 C103 . 120.7(3) ?
C101 C102 Ag . 75.7(2) ?
C103 C102 Ag . 99.1(2) ?
C104 C103 C102 . 117.7(3) ?
C104 C103 C107 . 121.7(3) ?
C102 C103 C107 . 120.6(3) ?
C105 C104 C103 . 121.5(3) ?
C106 C105 C104 . 120.2(3) ?
C105 C106 C101 . 119.7(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag O1W . 2.328(3) y
Ag C102 . 2.458(3) y
Ag C101 . 2.509(3) y
Ag C7 . 2.536(3) y
Ag C24 . 2.548(3) y
C1 C15 . 1.354(4) y
C1 C2 . 1.497(4) ?
C1 C6 . 1.503(4) ?
C2 C7 . 1.395(4) ?
C2 C3 . 1.410(4) ?
C3 C10 . 1.394(4) ?
C3 C4 . 1.498(4) ?
C4 C18 2_566 1.356(4) y
C4 C5 . 1.496(4) ?
C5 C14 . 1.401(4) ?
C5 C6 . 1.417(4) ?
C6 C11 . 1.388(4) ?
C7 C8 . 1.401(4) ?
C8 C9 . 1.378(4) ?
C9 C10 . 1.391(4) ?
C11 C12 . 1.387(4) ?
C12 C13 . 1.387(4) ?
C13 C14 . 1.383(4) ?
C15 C16 . 1.497(4) ?
C15 C20 . 1.504(4) ?
C16 C24 . 1.407(4) ?
C16 C17 . 1.413(4) ?
C17 C21 . 1.394(4) ?
C17 C18 . 1.500(4) ?
C18 C4 2_566 1.356(4) ?
C18 C19 . 1.499(4) ?
C19 C25 . 1.389(4) ?
C19 C20 . 1.415(4) ?
C20 C28 . 1.392(4) ?
C21 C22 . 1.386(4) ?
C22 C23 . 1.390(4) ?
C23 C24 . 1.393(4) ?
C25 C26 . 1.390(4) ?
C26 C27 . 1.374(4) ?
C27 C28 . 1.390(4) ?
S O3 . 1.414(4) ?
S O2 . 1.415(4) ?
S O1 . 1.436(3) ?
S C99 . 1.814(5) ?
C99 F1 . 1.318(6) ?
C99 F2 . 1.322(6) ?
C99 F3 . 1.344(5) ?
C101 C106 . 1.387(5) ?
C101 C102 . 1.396(5) ?
C102 C103 . 1.405(4) ?
C103 C104 . 1.393(5) ?
C103 C107 . 1.499(5) ?
C104 C105 . 1.388(5) ?
C105 C106 . 1.378(5) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1W H11' O1 2_665 0.76(3) 2.14(3) 2.895(4) 172(5) y
O1W H12' O3 . 0.74(3) 2.37(4) 3.061(6) 157(5) y
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C15 C1 C2 C7 . . 61.3(4)
C6 C1 C2 C7 . . -123.4(3)
C15 C1 C2 C3 . . -129.7(3)
C6 C1 C2 C3 . . 45.6(3)
C7 C2 C3 C10 . . 0.2(4)
C1 C2 C3 C10 . . -169.3(2)
C7 C2 C3 C4 . . 170.4(2)
C1 C2 C3 C4 . . 0.9(3)
C10 C3 C4 C18 . 2_566 -63.3(4)
C2 C3 C4 C18 . 2_566 126.9(3)
C10 C3 C4 C5 . . 122.9(3)
C2 C3 C4 C5 . . -46.8(3)
C18 C4 C5 C14 2_566 . 63.0(4)
C3 C4 C5 C14 . . -123.3(3)
C18 C4 C5 C6 2_566 . -127.8(3)
C3 C4 C5 C6 . . 45.9(3)
C14 C5 C6 C11 . . 1.4(4)
C4 C5 C6 C11 . . -168.4(2)
C14 C5 C6 C1 . . 170.4(2)
C4 C5 C6 C1 . . 0.6(3)
C15 C1 C6 C11 . . -62.6(4)
C2 C1 C6 C11 . . 122.2(3)
C15 C1 C6 C5 . . 129.0(3)
C2 C1 C6 C5 . . -46.3(3)
C3 C2 C7 C8 . . 3.9(4)
C1 C2 C7 C8 . . 172.7(3)
C3 C2 C7 Ag . . 93.7(2)
C1 C2 C7 Ag . . -97.5(2)
O1W Ag C7 C2 . . -178.1(2)
C102 Ag C7 C2 . . -54.3(2)
C101 Ag C7 C2 . . -22.0(2)
C24 Ag C7 C2 . . 84.1(2)
O1W Ag C7 C8 . . -57.1(2)
C102 Ag C7 C8 . . 66.6(2)
C101 Ag C7 C8 . . 99.0(2)
C24 Ag C7 C8 . . -154.9(2)
C2 C7 C8 C9 . . -4.2(4)
Ag C7 C8 C9 . . -100.7(3)
C7 C8 C9 C10 . . 0.3(4)
C8 C9 C10 C3 . . 3.8(4)
C2 C3 C10 C9 . . -4.1(4)
C4 C3 C10 C9 . . -173.6(3)
C5 C6 C11 C12 . . -2.7(4)
C1 C6 C11 C12 . . -170.9(3)
C6 C11 C12 C13 . . 1.4(4)
C11 C12 C13 C14 . . 1.2(4)
C12 C13 C14 C5 . . -2.5(4)
C6 C5 C14 C13 . . 1.2(4)
C4 C5 C14 C13 . . 170.2(3)
C2 C1 C15 C16 . . 0.8(4)
C6 C1 C15 C16 . . -173.6(3)
C2 C1 C15 C20 . . 174.4(3)
C6 C1 C15 C20 . . -0.1(4)
C1 C15 C16 C24 . . -62.4(4)
C20 C15 C16 C24 . . 123.1(3)
C1 C15 C16 C17 . . 129.2(3)
C20 C15 C16 C17 . . -45.3(3)
C24 C16 C17 C21 . . -1.6(4)
C15 C16 C17 C21 . . 167.4(2)
C24 C16 C17 C18 . . -171.4(2)
C15 C16 C17 C18 . . -2.3(4)
C21 C17 C18 C4 . 2_566 65.0(4)
C16 C17 C18 C4 . 2_566 -125.6(3)
C21 C17 C18 C19 . . -120.5(3)
C16 C17 C18 C19 . . 48.9(3)
C4 C18 C19 C25 2_566 . -62.2(4)
C17 C18 C19 C25 . . 123.4(3)
C4 C18 C19 C20 2_566 . 127.4(3)
C17 C18 C19 C20 . . -47.0(3)
C25 C19 C20 C28 . . -1.8(4)
C18 C19 C20 C28 . . 169.2(2)
C25 C19 C20 C15 . . -172.0(2)
C18 C19 C20 C15 . . -1.0(3)
C1 C15 C20 C28 . . 62.9(4)
C16 C15 C20 C28 . . -122.6(3)
C1 C15 C20 C19 . . -127.4(3)
C16 C15 C20 C19 . . 47.1(3)
C16 C17 C21 C22 . . 4.4(4)
C18 C17 C21 C22 . . 173.3(3)
C17 C21 C22 C23 . . -3.3(4)
C21 C22 C23 C24 . . -0.5(4)
C22 C23 C24 C16 . . 3.3(4)
C22 C23 C24 Ag . . 101.1(3)
C17 C16 C24 C23 . . -2.2(4)
C15 C16 C24 C23 . . -170.4(3)
C17 C16 C24 Ag . . -95.2(2)
C15 C16 C24 Ag . . 96.5(3)
O1W Ag C24 C23 . . 55.3(2)
C102 Ag C24 C23 . . -95.7(2)
C101 Ag C24 C23 . . -75.8(2)
C7 Ag C24 C23 . . 155.7(2)
O1W Ag C24 C16 . . 176.7(2)
C102 Ag C24 C16 . . 25.7(3)
C101 Ag C24 C16 . . 45.6(2)
C7 Ag C24 C16 . . -82.9(2)
C20 C19 C25 C26 . . -1.9(4)
C18 C19 C25 C26 . . -172.1(3)
C19 C25 C26 C27 . . 3.3(4)
C25 C26 C27 C28 . . -0.8(5)
C26 C27 C28 C20 . . -3.0(4)
C19 C20 C28 C27 . . 4.3(4)
C15 C20 C28 C27 . . 173.7(3)
O3 S C99 F1 . . -177.8(3)
O2 S C99 F1 . . -59.4(4)
O1 S C99 F1 . . 60.6(4)
O3 S C99 F2 . . 62.4(4)
O2 S C99 F2 . . -179.2(3)
O1 S C99 F2 . . -59.2(4)
O3 S C99 F3 . . -57.9(5)
O2 S C99 F3 . . 60.5(5)
O1 S C99 F3 . . -179.5(4)
O1W Ag C101 C106 . . -32.7(3)
C102 Ag C101 C106 . . -118.3(3)
C7 Ag C101 C106 . . 175.3(2)
C24 Ag C101 C106 . . 85.7(2)
O1W Ag C101 C102 . . 85.6(2)
C7 Ag C101 C102 . . -66.4(2)
C24 Ag C101 C102 . . -156.0(2)
C106 C101 C102 C103 . . 0.1(5)
Ag C101 C102 C103 . . -92.2(3)
C106 C101 C102 Ag . . 92.3(3)
O1W Ag C102 C101 . . -112.3(2)
C7 Ag C102 C101 . . 131.1(2)
C24 Ag C102 C101 . . 36.0(3)
O1W Ag C102 C103 . . 7.3(2)
C101 Ag C102 C103 . . 119.5(3)
C7 Ag C102 C103 . . -109.4(2)
C24 Ag C102 C103 . . 155.5(2)
C101 C102 C103 C104 . . -0.1(5)
Ag C102 C103 C104 . . -78.8(3)
C101 C102 C103 C107 . . -178.4(3)
Ag C102 C103 C107 . . 102.9(3)
C102 C103 C104 C105 . . -0.6(5)
C107 C103 C104 C105 . . 177.6(3)
C103 C104 C105 C106 . . 1.3(5)
C104 C105 C106 C101 . . -1.2(5)
C102 C101 C106 C105 . . 0.5(5)
Ag C101 C106 C105 . . 75.6(3)
