#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/46/7004664.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_7004664
loop_
_publ_author_name
'Mishra, Shashank'
'Jeanneau, Erwann'
'Daniele, Stéphane'
'Ledoux, Gilles'
_publ_section_title
;
 Reactions of metal iodides as a simple route to heterometallics:
 synthesis, structural transformations, thermal and luminescent
 properties of novel hybrid iodoargentate derivatives templated by
 [YL8]3+ or [YL7]3+ cations (L = DMF or DMSO)
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6296
_journal_page_last               6304
_journal_paper_doi               10.1039/B809964B
_journal_year                    2008
_chemical_formula_moiety         'C16 H48 O8 S8 Y, 0.5(Ag4 I8), I'
_chemical_formula_sum            'C16 H48 Ag2 I5 O8 S8 Y'
_chemical_formula_weight         1564.24
_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
_audit_creation_date             07-10-16
_audit_creation_method           CRYSTALS_ver_12.85
_cell_angle_alpha                94.661(4)
_cell_angle_beta                 103.371(5)
_cell_angle_gamma                96.247(3)
_cell_formula_units_Z            2
_cell_length_a                   11.1940(15)
_cell_length_b                   11.2747(12)
_cell_length_c                   19.698(4)
_cell_measurement_reflns_used    10528
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.878
_cell_measurement_theta_min      0.730
_cell_volume                     2389.7(6)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_device_type  Area
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.086
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11787
_diffrn_reflns_theta_full        27.495
_diffrn_reflns_theta_max         28.641
_diffrn_reflns_theta_min         1.069
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.624
_exptl_absorpt_correction_T_max  0.61
_exptl_absorpt_correction_T_min  0.37
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
Analytical Absorption (De Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1468
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.74
_refine_diff_density_min         -1.49
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6103
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.000541
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
1.32 0.764 0.781
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0953
_refine_ls_wR_factor_gt          0.0631
_refine_ls_wR_factor_ref         0.0587
_reflns_limit_h_max              14
_reflns_limit_h_min              -15
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_gt                7047
_reflns_number_total             11786
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_r_factor_ref   0.0490
_oxford_refine_ls_scale          0.2443(4)
_oxford_reflns_number_all        11747
_oxford_reflns_threshold_expression_ref I>3.0\s(I)
_oxford_structure_analysis_title 'scale in P -1'
_cod_data_source_file            B809964B.txt
_cod_data_source_block           complex_3
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C16 H48 Ag2 I5 O8 S8 Y1'
_cod_database_code               7004664
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_oxford_atom_site_special_shape
_atom_site_attached_hydrogens
I4 I 0.13693(6) 0.22304(6) 0.31599(3) 0.0494 1.0000 Uani . . . . . . .
I3 I -0.23110(5) 0.12003(5) 0.11410(3) 0.0440 1.0000 Uani . . . . . . .
I1 I 0.12812(5) -0.04146(5) 0.11511(3) 0.0432 1.0000 Uani . . . . . . .
I2 I 0.09292(5) 0.34379(5) 0.07784(3) 0.0421 1.0000 Uani . . . . . . .
Ag1 Ag -0.04988(7) 0.10614(7) 0.02916(4) 0.0485 1.0000 Uani . . . . . . .
Y1 Y 0.38373(7) 0.32286(7) 0.73592(4) 0.0324 1.0000 Uani . . . . . . .
Ag2 Ag 0.02910(8) 0.18639(8) 0.17619(4) 0.0570 1.0000 Uani . . . . . . .
I5 I 0.75428(10) 0.21249(8) 0.49507(6) 0.0862 1.0000 Uani . . . . . . .
S8 S 0.2571(2) 0.3722(2) 0.88184(11) 0.0390 1.0000 Uani . . . . . . .
S3 S 0.55901(19) 0.58168(19) 0.83521(12) 0.0408 1.0000 Uani . . . . . . .
S2 S 0.6715(2) 0.3339(2) 0.69427(13) 0.0449 1.0000 Uani . . . . . . .
S1 S 0.3082(2) 0.2656(2) 0.55037(12) 0.0456 1.0000 Uani . . . . . . .
S4 S 0.1296(2) 0.4846(2) 0.67957(13) 0.0429 1.0000 Uani . . . . . . .
S7 S 0.60341(19) 0.23793(19) 0.87406(11) 0.0383 1.0000 Uani . . . . . . .
S6 S 0.4288(2) 0.0373(2) 0.67398(13) 0.0463 1.0000 Uani . . . . . . .
S5 S 0.0826(2) 0.1686(2) 0.65654(16) 0.0550 1.0000 Uani . . . . . . .
O8 O 0.2365(5) 0.3398(6) 0.8024(3) 0.0418 1.0000 Uani . . . . . . .
O7 O 0.4867(5) 0.2999(6) 0.8526(3) 0.0416 1.0000 Uani . . . . . . .
O3 O 0.4317(6) 0.5228(5) 0.7908(3) 0.0445 1.0000 Uani . . . . . . .
O2 O 0.5924(5) 0.3859(5) 0.7399(3) 0.0404 1.0000 Uani . . . . . . .
O1 O 0.4082(6) 0.2945(5) 0.6196(3) 0.0404 1.0000 Uani . . . . . . .
O5 O 0.2198(6) 0.1691(5) 0.6850(3) 0.0456 1.0000 Uani . . . . . . .
O6 O 0.4663(6) 0.1406(5) 0.7324(3) 0.0440 1.0000 Uani . . . . . . .
O4 O 0.2408(6) 0.4303(5) 0.6651(3) 0.0420 1.0000 Uani . . . . . . .
C13 C 0.5559(8) 0.1182(8) 0.9193(5) 0.0459 1.0000 Uani . . . . . . .
C6 C 0.5219(11) 0.6631(16) 0.9059(8) 0.0942 1.0000 Uani . . . . . . .
C16 C 0.1246(11) 0.4425(11) 0.8897(6) 0.0583 1.0000 Uani . . . . . . .
C14 C 0.6990(9) 0.3362(9) 0.9485(5) 0.0494 1.0000 Uani . . . . . . .
C15 C 0.2203(10) 0.2339(9) 0.9138(6) 0.0539 1.0000 Uani . . . . . . .
C1 C 0.3273(17) 0.3868(13) 0.5025(7) 0.0942 1.0000 Uani . . . . . . .
C8 C 0.0418(10) 0.5075(11) 0.5951(6) 0.0625 1.0000 Uani . . . . . . .
C3 C 0.8246(10) 0.3633(13) 0.7520(8) 0.0762 1.0000 Uani . . . . . . .
C9 C 0.0057(11) 0.1121(12) 0.7190(7) 0.0736 1.0000 Uani . . . . . . .
C4 C 0.6871(11) 0.4423(10) 0.6355(6) 0.0609 1.0000 Uani . . . . . . .
C7 C 0.1834(13) 0.6358(11) 0.7116(8) 0.0888 1.0000 Uani . . . . . . .
C2 C 0.3610(13) 0.1550(12) 0.4996(6) 0.0688 1.0000 Uani . . . . . . .
C5 C 0.5998(11) 0.7051(12) 0.7918(9) 0.0878 1.0000 Uani . . . . . . .
C11 C 0.3617(15) -0.0821(10) 0.7134(7) 0.0775 1.0000 Uani . . . . . . .
C12 C 0.5706(13) -0.0213(12) 0.6710(8) 0.0792 1.0000 Uani . . . . . . .
C10 C 0.0378(12) 0.0407(13) 0.5913(7) 0.0810 1.0000 Uani . . . . . . .
H11 H 0.3010 0.4590 0.5250 0.1046 1.0000 Uiso R . . . . . .
H12 H 0.4165 0.4040 0.5019 0.1046 1.0000 Uiso R . . . . . .
H13 H 0.2758 0.3669 0.4533 0.1046 1.0000 Uiso R . . . . . .
H21 H 0.3554 0.0772 0.5205 0.0814 1.0000 Uiso R . . . . . .
H22 H 0.4490 0.1812 0.4991 0.0814 1.0000 Uiso R . . . . . .
H23 H 0.3083 0.1441 0.4505 0.0814 1.0000 Uiso R . . . . . .
H81 H 0.0012 0.4285 0.5685 0.0719 1.0000 Uiso R . . . . . .
H82 H -0.0231 0.5595 0.6004 0.0719 1.0000 Uiso R . . . . . .
H83 H 0.0983 0.5477 0.5688 0.0719 1.0000 Uiso R . . . . . .
H71 H 0.2366 0.6411 0.7603 0.0992 1.0000 Uiso R . . . . . .
H72 H 0.1121 0.6820 0.7117 0.0992 1.0000 Uiso R . . . . . .
H73 H 0.2335 0.6702 0.6801 0.0992 1.0000 Uiso R . . . . . .
H161 H 0.1312 0.5239 0.8732 0.0790 1.0000 Uiso R . . . . . .
H162 H 0.1195 0.4502 0.9399 0.0790 1.0000 Uiso R . . . . . .
H163 H 0.0485 0.3919 0.8602 0.0790 1.0000 Uiso R . . . . . .
H151 H 0.2880 0.1833 0.9131 0.0640 1.0000 Uiso R . . . . . .
H152 H 0.2116 0.2494 0.9630 0.0640 1.0000 Uiso R . . . . . .
H153 H 0.1406 0.1911 0.8834 0.0640 1.0000 Uiso R . . . . . .
H131 H 0.5005 0.0540 0.8847 0.0529 1.0000 Uiso R . . . . . .
H132 H 0.6303 0.0844 0.9450 0.0529 1.0000 Uiso R . . . . . .
H133 H 0.5100 0.1488 0.9535 0.0529 1.0000 Uiso R . . . . . .
H141 H 0.7343 0.4104 0.9316 0.0547 1.0000 Uiso R . . . . . .
H142 H 0.7679 0.2941 0.9731 0.0547 1.0000 Uiso R . . . . . .
H143 H 0.6476 0.3585 0.9817 0.0547 1.0000 Uiso R . . . . . .
H31 H 0.8308 0.3072 0.7891 0.0907 1.0000 Uiso R . . . . . .
H32 H 0.8395 0.4481 0.7745 0.0907 1.0000 Uiso R . . . . . .
H33 H 0.8880 0.3506 0.7247 0.0907 1.0000 Uiso R . . . . . .
H41 H 0.6077 0.4376 0.5989 0.0777 1.0000 Uiso R . . . . . .
H42 H 0.7069 0.5242 0.6623 0.0777 1.0000 Uiso R . . . . . .
H43 H 0.7555 0.4267 0.6125 0.0777 1.0000 Uiso R . . . . . .
H51 H 0.6241 0.6736 0.7487 0.1019 1.0000 Uiso R . . . . . .
H52 H 0.6714 0.7592 0.8233 0.1019 1.0000 Uiso R . . . . . .
H53 H 0.5281 0.7511 0.7782 0.1019 1.0000 Uiso R . . . . . .
H61 H 0.4950 0.6059 0.9374 0.1118 1.0000 Uiso R . . . . . .
H62 H 0.5965 0.7188 0.9329 0.1118 1.0000 Uiso R . . . . . .
H63 H 0.4532 0.7107 0.8878 0.1118 1.0000 Uiso R . . . . . .
H101 H 0.0731 0.0565 0.5503 0.0916 1.0000 Uiso R . . . . . .
H102 H 0.0699 -0.0311 0.6121 0.0916 1.0000 Uiso R . . . . . .
H103 H -0.0546 0.0252 0.5755 0.0916 1.0000 Uiso R . . . . . .
H91 H 0.0207 0.1736 0.7607 0.0826 1.0000 Uiso R . . . . . .
H92 H 0.0393 0.0373 0.7341 0.0826 1.0000 Uiso R . . . . . .
H93 H -0.0853 0.0936 0.6976 0.0826 1.0000 Uiso R . . . . . .
H111 H 0.2783 -0.0653 0.7187 0.0955 1.0000 Uiso R . . . . . .
H112 H 0.4163 -0.0884 0.7606 0.0955 1.0000 Uiso R . . . . . .
H113 H 0.3528 -0.1594 0.6828 0.0955 1.0000 Uiso R . . . . . .
H121 H 0.6227 0.0358 0.6499 0.0968 1.0000 Uiso R . . . . . .
H122 H 0.6161 -0.0303 0.7199 0.0968 1.0000 Uiso R . . . . . .
H123 H 0.5526 -0.1012 0.6421 0.0968 1.0000 Uiso R . . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
S 0.1246 0.1234 6.9053 1.4679 5.2034 22.2151 1.4379 0.2536 1.5863 56.1720
0.8669 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Y -2.7962 3.5667 17.7760 1.4029 10.2946 12.8006 5.7263 0.1256 3.2659 104.3540
1.9121 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag -0.8971 1.1015 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
I -0.4742 1.8119 20.1472 4.3470 18.9949 0.3814 7.5138 27.7660 2.2735 66.8776
4.0712 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ag1 . I3 . Ag2 . 59.21(3) yes
Ag1 2_555 I1 . Ag1 . 61.96(3) yes
Ag1 2_555 I1 . Ag2 . 116.91(3) yes
Ag1 . I1 . Ag2 . 54.97(2) yes
Ag1 . I2 . Ag2 . 58.97(2) yes
I1 . Ag1 . I2 . 98.06(3) yes
I1 . Ag1 . I3 . 100.68(3) yes
I2 . Ag1 . I3 . 98.05(3) yes
I1 . Ag1 . Ag1 2_555 54.87(3) yes
I2 . Ag1 . Ag1 2_555 124.79(4) yes
I3 . Ag1 . Ag1 2_555 130.86(4) yes
I1 . Ag1 . I1 2_555 118.04(3) yes
I2 . Ag1 . I1 2_555 117.57(3) yes
I3 . Ag1 . I1 2_555 120.25(3) yes
Ag1 2_555 Ag1 . I1 2_555 63.17(3) yes
I1 . Ag1 . Ag2 . 64.76(3) yes
I2 . Ag1 . Ag2 . 59.74(3) yes
I3 . Ag1 . Ag2 . 59.60(3) yes
Ag1 2_555 Ag1 . Ag2 . 119.60(4) yes
I1 2_555 Ag1 . Ag2 . 176.78(4) yes
O8 . Y1 . O7 . 74.2(2) yes
O8 . Y1 . O3 . 76.0(2) yes
O7 . Y1 . O3 . 76.8(2) yes
O8 . Y1 . O2 . 141.2(2) yes
O7 . Y1 . O2 . 76.8(2) yes
O3 . Y1 . O2 . 72.7(2) yes
O8 . Y1 . O1 . 143.4(2) yes
O7 . Y1 . O1 . 140.6(2) yes
O3 . Y1 . O1 . 115.7(2) yes
O2 . Y1 . O1 . 72.6(2) yes
O8 . Y1 . O5 . 74.4(2) yes
O7 . Y1 . O5 . 113.9(2) yes
O3 . Y1 . O5 . 143.8(2) yes
O2 . Y1 . O5 . 142.2(2) yes
O1 . Y1 . O5 . 78.9(2) yes
O8 . Y1 . O6 . 116.8(2) yes
O7 . Y1 . O6 . 72.9(2) yes
O3 . Y1 . O6 . 141.5(2) yes
O2 . Y1 . O6 . 77.6(2) yes
O1 . Y1 . O6 . 76.8(2) yes
O8 . Y1 . O4 . 78.2(2) yes
O7 . Y1 . O4 . 144.8(2) yes
O3 . Y1 . O4 . 75.5(2) yes
O2 . Y1 . O4 . 114.5(2) yes
O1 . Y1 . O4 . 72.3(2) yes
O5 . Y1 . O6 . 72.0(2) yes
O5 . Y1 . O4 . 78.5(2) yes
O6 . Y1 . O4 . 140.6(2) yes
I1 . Ag2 . I2 . 96.20(3) yes
I1 . Ag2 . I3 . 98.75(3) yes
I2 . Ag2 . I3 . 100.15(3) yes
I1 . Ag2 . I4 . 106.94(4) yes
I2 . Ag2 . I4 . 122.81(4) yes
I3 . Ag2 . I4 . 125.71(4) yes
I1 . Ag2 . Ag1 . 60.27(3) yes
I2 . Ag2 . Ag1 . 61.29(3) yes
I3 . Ag2 . Ag1 . 61.19(3) yes
I4 . Ag2 . Ag1 . 167.16(4) yes
O8 . S8 . C16 . 103.8(4) yes
O8 . S8 . C15 . 104.3(4) yes
C16 . S8 . C15 . 99.7(5) yes
O3 . S3 . C6 . 103.0(5) yes
O3 . S3 . C5 . 105.3(5) yes
C6 . S3 . C5 . 97.5(9) yes
O2 . S2 . C3 . 102.2(5) yes
O2 . S2 . C4 . 104.5(4) yes
C3 . S2 . C4 . 99.3(6) yes
O1 . S1 . C1 . 105.7(5) yes
O1 . S1 . C2 . 105.8(5) yes
C1 . S1 . C2 . 99.3(7) yes
O4 . S4 . C8 . 104.3(5) yes
O4 . S4 . C7 . 106.0(6) yes
C8 . S4 . C7 . 98.1(6) yes
O7 . S7 . C13 . 103.9(4) yes
O7 . S7 . C14 . 103.9(4) yes
C13 . S7 . C14 . 98.9(5) yes
O6 . S6 . C11 . 104.0(5) yes
O6 . S6 . C12 . 104.7(5) yes
C11 . S6 . C12 . 97.7(7) yes
O5 . S5 . C9 . 107.9(5) yes
O5 . S5 . C10 . 104.3(6) yes
C9 . S5 . C10 . 97.8(6) yes
Y1 . O8 . S8 . 129.0(3) yes
Y1 . O7 . S7 . 125.5(3) yes
Y1 . O3 . S3 . 125.9(3) yes
Y1 . O2 . S2 . 127.6(3) yes
Y1 . O1 . S1 . 129.0(3) yes
Y1 . O5 . S5 . 133.1(4) yes
Y1 . O6 . S6 . 127.1(4) yes
Y1 . O4 . S4 . 130.6(3) yes
S7 . C13 . H131 . 109.4 no
S7 . C13 . H132 . 109.6 no
H131 . C13 . H132 . 109.5 no
S7 . C13 . H133 . 109.4 no
H131 . C13 . H133 . 109.5 no
H132 . C13 . H133 . 109.5 no
S3 . C6 . H61 . 109.2 no
S3 . C6 . H62 . 109.4 no
H61 . C6 . H62 . 109.5 no
S3 . C6 . H63 . 109.8 no
H61 . C6 . H63 . 109.5 no
H62 . C6 . H63 . 109.5 no
S8 . C16 . H161 . 109.7 no
S8 . C16 . H162 . 109.7 no
H161 . C16 . H162 . 109.5 no
S8 . C16 . H163 . 108.9 no
H161 . C16 . H163 . 109.5 no
H162 . C16 . H163 . 109.5 no
S7 . C14 . H141 . 109.3 no
S7 . C14 . H142 . 109.6 no
H141 . C14 . H142 . 109.5 no
S7 . C14 . H143 . 109.6 no
H141 . C14 . H143 . 109.5 no
H142 . C14 . H143 . 109.5 no
S8 . C15 . H151 . 109.4 no
S8 . C15 . H152 . 109.5 no
H151 . C15 . H152 . 109.5 no
S8 . C15 . H153 . 109.6 no
H151 . C15 . H153 . 109.5 no
H152 . C15 . H153 . 109.5 no
S1 . C1 . H11 . 109.5 no
S1 . C1 . H12 . 109.2 no
H11 . C1 . H12 . 109.5 no
S1 . C1 . H13 . 109.7 no
H11 . C1 . H13 . 109.5 no
H12 . C1 . H13 . 109.5 no
S4 . C8 . H81 . 109.8 no
S4 . C8 . H82 . 109.5 no
H81 . C8 . H82 . 109.5 no
S4 . C8 . H83 . 109.1 no
H81 . C8 . H83 . 109.5 no
H82 . C8 . H83 . 109.5 no
S2 . C3 . H31 . 109.0 no
S2 . C3 . H32 . 109.6 no
H31 . C3 . H32 . 109.5 no
S2 . C3 . H33 . 109.8 no
H31 . C3 . H33 . 109.5 no
H32 . C3 . H33 . 109.5 no
S5 . C9 . H91 . 109.4 no
S5 . C9 . H92 . 109.1 no
H91 . C9 . H92 . 109.5 no
S5 . C9 . H93 . 110.0 no
H91 . C9 . H93 . 109.5 no
H92 . C9 . H93 . 109.5 no
S2 . C4 . H41 . 109.5 no
S2 . C4 . H42 . 109.2 no
H41 . C4 . H42 . 109.5 no
S2 . C4 . H43 . 109.7 no
H41 . C4 . H43 . 109.5 no
H42 . C4 . H43 . 109.5 no
S4 . C7 . H71 . 109.8 no
S4 . C7 . H72 . 110.4 no
H71 . C7 . H72 . 109.5 no
S4 . C7 . H73 . 108.3 no
H71 . C7 . H73 . 109.5 no
H72 . C7 . H73 . 109.5 no
S1 . C2 . H21 . 109.6 no
S1 . C2 . H22 . 109.5 no
H21 . C2 . H22 . 109.5 no
S1 . C2 . H23 . 109.4 no
H21 . C2 . H23 . 109.5 no
H22 . C2 . H23 . 109.5 no
S3 . C5 . H51 . 108.1 no
S3 . C5 . H52 . 109.8 no
H51 . C5 . H52 . 109.5 no
S3 . C5 . H53 . 110.5 no
H51 . C5 . H53 . 109.5 no
H52 . C5 . H53 . 109.5 no
S6 . C11 . H111 . 109.3 no
S6 . C11 . H112 . 109.6 no
H111 . C11 . H112 . 109.5 no
S6 . C11 . H113 . 109.5 no
H111 . C11 . H113 . 109.5 no
H112 . C11 . H113 . 109.5 no
S6 . C12 . H121 . 109.4 no
S6 . C12 . H122 . 108.7 no
H121 . C12 . H122 . 109.5 no
S6 . C12 . H123 . 110.3 no
H121 . C12 . H123 . 109.5 no
H122 . C12 . H123 . 109.5 no
S5 . C10 . H101 . 109.6 no
S5 . C10 . H102 . 109.3 no
H101 . C10 . H102 . 109.5 no
S5 . C10 . H103 . 109.5 no
H101 . C10 . H103 . 109.5 no
H102 . C10 . H103 . 109.5 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
I4 . Ag2 . 2.7166(11) yes
I3 . Ag1 . 2.9213(10) yes
I3 . Ag2 . 2.8755(11) yes
I1 . Ag1 2_555 2.7835(10) yes
I1 . Ag1 . 3.0373(10) yes
I1 . Ag2 . 3.1638(11) yes
I2 . Ag1 . 2.9317(10) yes
I2 . Ag2 . 2.8871(10) yes
Ag1 . Ag1 2_555 3.0040(15) yes
Ag1 . Ag2 . 2.8641(12) yes
Y1 . O8 . 2.344(6) yes
Y1 . O7 . 2.369(6) yes
Y1 . O3 . 2.368(6) yes
Y1 . O2 . 2.348(6) yes
Y1 . O1 . 2.370(6) yes
Y1 . O5 . 2.356(6) yes
Y1 . O6 . 2.345(6) yes
Y1 . O4 . 2.375(6) yes
S8 . O8 . 1.535(6) yes
S8 . C16 . 1.787(10) yes
S8 . C15 . 1.771(10) yes
S3 . O3 . 1.536(6) yes
S3 . C6 . 1.760(12) yes
S3 . C5 . 1.764(11) yes
S2 . O2 . 1.527(6) yes
S2 . C3 . 1.803(13) yes
S2 . C4 . 1.772(11) yes
S1 . O1 . 1.536(6) yes
S1 . C1 . 1.744(13) yes
S1 . C2 . 1.772(11) yes
S4 . O4 . 1.519(6) yes
S4 . C8 . 1.781(11) yes
S4 . C7 . 1.758(12) yes
S7 . O7 . 1.537(6) yes
S7 . C13 . 1.776(9) yes
S7 . C14 . 1.809(10) yes
S6 . O6 . 1.519(7) yes
S6 . C11 . 1.788(11) yes
S6 . C12 . 1.796(12) yes
S5 . O5 . 1.508(7) yes
S5 . C9 . 1.777(13) yes
S5 . C10 . 1.796(12) yes
C13 . H131 . 1.000 no
C13 . H132 . 1.000 no
C13 . H133 . 1.000 no
C6 . H61 . 1.000 no
C6 . H62 . 1.000 no
C6 . H63 . 1.000 no
C16 . H161 . 1.000 no
C16 . H162 . 1.000 no
C16 . H163 . 1.000 no
C14 . H141 . 1.000 no
C14 . H142 . 1.000 no
C14 . H143 . 1.000 no
C15 . H151 . 1.000 no
C15 . H152 . 1.000 no
C15 . H153 . 1.000 no
C1 . H11 . 1.000 no
C1 . H12 . 1.000 no
C1 . H13 . 1.000 no
C8 . H81 . 1.000 no
C8 . H82 . 1.000 no
C8 . H83 . 1.000 no
C3 . H31 . 1.000 no
C3 . H32 . 1.000 no
C3 . H33 . 1.000 no
C9 . H91 . 1.000 no
C9 . H92 . 1.000 no
C9 . H93 . 1.000 no
C4 . H41 . 1.000 no
C4 . H42 . 1.000 no
C4 . H43 . 1.000 no
C7 . H71 . 1.000 no
C7 . H72 . 1.000 no
C7 . H73 . 1.000 no
C2 . H21 . 1.000 no
C2 . H22 . 1.000 no
C2 . H23 . 1.000 no
C5 . H51 . 1.000 no
C5 . H52 . 1.000 no
C5 . H53 . 1.000 no
C11 . H111 . 1.000 no
C11 . H112 . 1.000 no
C11 . H113 . 1.000 no
C12 . H121 . 1.000 no
C12 . H122 . 1.000 no
C12 . H123 . 1.000 no
C10 . H101 . 1.000 no
C10 . H102 . 1.000 no
C10 . H103 . 1.000 no
