#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:50:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179939 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/34/7023482.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_7023482
loop_
_publ_author_name
'Moon, So Yun'
'Kim, Euni'
'Noh, Tae Hwan'
'Lee, Young-A'
'Jung, Ok-Sang'
_publ_section_title
;
 Triple-meso helices as alcohol reservoirs and discriminators: structural
 properties and thermal behaviors of silver(I) coordination molecular
 braids containing diethylbis(4-pyridyl)silanes.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13974
_journal_page_last               13980
_journal_paper_doi               10.1039/c3dt51398j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C47 H60 Ag3 F9 N6 O10 S3 Si3'
_chemical_formula_weight         1544.07
_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           SHELXL-97
_cell_angle_alpha                107.5280(10)
_cell_angle_beta                 103.8110(10)
_cell_angle_gamma                91.5190(10)
_cell_formula_units_Z            2
_cell_length_a                   11.85860(10)
_cell_length_b                   14.04530(10)
_cell_length_c                   20.4624(2)
_cell_measurement_reflns_used    8542
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.16
_cell_volume                     3138.10(5)
_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  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Breeze CCD'
_diffrn_measurement_method       'phi and omega 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  0.0367
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47744
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    1.166
_exptl_absorpt_correction_T_max  0.8538
_exptl_absorpt_correction_T_min  0.7361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flat
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         4.852
_refine_diff_density_min         -5.108
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         12315
_refine_ls_number_restraints     152
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1365
_refine_ls_R_factor_gt           0.0913
_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)+(0.0625P)²+37.4798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2060
_refine_ls_wR_factor_ref         0.2352
_reflns_number_gt                7913
_reflns_number_total             12315
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51398j.txt
_cod_data_source_block           939631
_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        3138.09(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7023482
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 -1.0000 1.0000 0.0000 0.0699(4) Uani 1 2 d S . .
Ag2 Ag -0.60773(8) 0.49036(7) -0.21639(5) 0.0709(3) Uani 1 1 d . . .
Ag3 Ag 0.18127(12) 0.61663(10) 0.25338(6) 0.1164(5) Uani 1 1 d D . .
Ag4 Ag 0.5000 1.0000 0.0000 0.0548(3) Uani 1 2 d S . .
Si1 Si -1.0146(2) 0.7666(2) -0.34443(14) 0.0444(6) Uani 1 1 d . . .
Si2 Si -0.2317(3) 0.2719(2) -0.01038(16) 0.0607(8) Uani 1 1 d D . .
Si3 Si 0.5209(2) 1.06352(18) 0.34808(13) 0.0405(6) Uani 1 1 d . . .
S1 S -0.7347(2) 1.20849(19) 0.01454(14) 0.0543(6) Uani 1 1 d . . .
S2 S -0.8404(3) 0.2267(2) -0.28972(15) 0.0687(8) Uani 1 1 d D . .
S3 S 0.3758(2) 0.44241(19) 0.29984(13) 0.0505(6) Uani 1 1 d . . .
F1 F -0.6913(10) 1.3492(7) -0.0371(6) 0.130(4) Uani 1 1 d . . .
F2 F -0.7943(10) 1.2196(7) -0.1120(4) 0.128(4) Uani 1 1 d . . .
F3 F -0.8648(9) 1.3294(9) -0.0360(6) 0.141(4) Uani 1 1 d . . .
F4' F -0.830(3) 0.1551(16) -0.4203(10) 0.139(8) Uani 0.50 1 d PDU A 1
F5' F -0.6767(13) 0.2739(17) -0.3544(11) 0.127(6) Uani 0.50 1 d PDU B 1
C44 C -0.8605(16) 0.2116(8) -0.3923(2) 0.111(11) Uani 0.50 1 d PDU A 1
F4 F -0.7507(19) 0.202(2) -0.3994(15) 0.129(8) Uani 0.50 1 d PDU A 2
F5 F -0.9511(19) 0.1391(15) -0.4231(11) 0.151(8) Uani 0.50 1 d PDU C 2
C44' C -0.7929(12) 0.2470(13) -0.3724(7) 0.089(9) Uani 0.50 1 d PDU A 2
F6 F -0.8728(13) 0.3077(9) -0.3903(6) 0.182(5) Uani 1 1 d DU . .
F7 F 0.4193(9) 0.4411(9) 0.4308(4) 0.139(4) Uani 1 1 d . . .
F8 F 0.5669(7) 0.4820(9) 0.4003(5) 0.142(4) Uani 1 1 d . . .
F9 F 0.4438(9) 0.5827(7) 0.4210(5) 0.135(4) Uani 1 1 d . . .
O1 O -0.7074(8) 1.2824(6) 0.0836(4) 0.078(2) Uani 1 1 d . . .
O2 O -0.8401(9) 1.1471(7) 0.0011(5) 0.096(3) Uani 1 1 d . . .
O3 O -0.6389(9) 1.1606(7) -0.0047(5) 0.095(3) Uani 1 1 d . . .
O4 O -0.7811(7) 0.3215(7) -0.2443(5) 0.087(3) Uani 1 1 d . A .
O5 O -0.9606(8) 0.2231(8) -0.2956(8) 0.138(5) Uani 1 1 d . A .
O6 O -0.7838(11) 0.1423(8) -0.2811(5) 0.119(4) Uani 1 1 d . A .
O7 O 0.4027(8) 0.3424(6) 0.2793(5) 0.096(3) Uani 1 1 d . . .
O8 O 0.2573(7) 0.4518(7) 0.3024(5) 0.082(2) Uani 1 1 d . . .
O9 O 0.4163(9) 0.5091(7) 0.2695(5) 0.107(3) Uani 1 1 d . . .
O10A O 0.140(2) 0.6071(17) 0.3697(13) 0.131(9) Uani 0.50 1 d PDU D 1
H10A H 0.1381 0.5456 0.3828 0.157 Uiso 0.50 1 d PR D 1
C46A C 0.190(3) 0.6947(16) 0.4280(12) 0.093(10) Uani 0.50 1 d PD D 1
H46A H 0.1374 0.7484 0.4337 0.111 Uiso 0.50 1 calc PR D 1
H46B H 0.2676 0.7214 0.4270 0.111 Uiso 0.50 1 calc PR D 1
O10B O 0.0803(14) 0.6424(14) 0.3483(7) 0.078(5) Uani 0.50 1 d PDU D 2
H10B H -0.0033 0.6491 0.3417 0.093 Uiso 0.50 1 d PR D 2
C46B C 0.140(7) 0.679(3) 0.4216(15) 0.27(5) Uani 0.50 1 d PDU D 2
H46C H 0.0843 0.7217 0.4421 0.329 Uiso 0.50 1 calc PR D 2
H46D H 0.2038 0.7262 0.4223 0.329 Uiso 0.50 1 calc PR D 2
C47 C 0.197(3) 0.639(2) 0.4814(14) 0.222(13) Uani 1 1 d DU . .
H47A H 0.2069 0.6868 0.5288 0.266 Uiso 0.50 1 calc PR D 1
H47B H 0.2634 0.5986 0.4811 0.266 Uiso 0.50 1 calc PR D 1
H47C H 0.1246 0.5940 0.4686 0.266 Uiso 0.50 1 calc PR D 1
H47D H 0.2293 0.6949 0.5248 0.266 Uiso 0.50 1 calc PR D 2
H47E H 0.2596 0.5990 0.4685 0.266 Uiso 0.50 1 calc PR D 2
H47F H 0.1383 0.5959 0.4895 0.266 Uiso 0.50 1 calc PR D 2
N1 N -1.0257(9) 0.9374(6) -0.1120(5) 0.066(2) Uani 1 1 d . . .
N2 N -0.7323(7) 0.5686(7) -0.2680(5) 0.062(2) Uani 1 1 d . . .
N3 N -0.4917(7) 0.4238(7) -0.1496(4) 0.057(2) Uani 1 1 d . . .
N4 N 0.0517(8) 0.5086(7) 0.1675(5) 0.060(2) Uani 1 1 d . . .
N5 N 0.2919(11) 0.7587(8) 0.2959(5) 0.082(3) Uani 1 1 d . . .
N6 N 0.5216(7) 1.0337(6) 0.1129(4) 0.0499(19) Uani 1 1 d . . .
C1 C -0.9570(13) 0.9733(10) -0.1446(7) 0.094(5) Uani 1 1 d . . .
H1A H -0.9046 1.0320 -0.1179 0.112 Uiso 1 1 calc R . .
C2 C -0.9590(12) 0.9293(9) -0.2147(6) 0.080(4) Uani 1 1 d . . .
H2A H -0.9108 0.9592 -0.2358 0.096 Uiso 1 1 calc R . .
C3 C -1.0312(8) 0.8411(7) -0.2551(5) 0.049(2) Uani 1 1 d . . .
C4 C -1.1058(9) 0.8079(7) -0.2217(5) 0.051(2) Uani 1 1 d . . .
H4A H -1.1609 0.7507 -0.2475 0.062 Uiso 1 1 calc R . .
C5 C -1.1009(10) 0.8566(8) -0.1517(6) 0.058(3) Uani 1 1 d . . .
H5A H -1.1534 0.8318 -0.1306 0.069 Uiso 1 1 calc R . .
C6 C -1.1522(8) 0.6879(8) -0.4014(5) 0.057(3) Uani 1 1 d D . .
H6A H -1.1766 0.6447 -0.3757 0.069 Uiso 1 1 calc R . .
H6B H -1.2139 0.7328 -0.4082 0.069 Uiso 1 1 calc R . .
C7 C -1.1458(12) 0.6243(10) -0.4706(5) 0.090(4) Uani 1 1 d D . .
H7A H -1.2220 0.5861 -0.4966 0.108 Uiso 1 1 calc R . .
H7B H -1.0869 0.5777 -0.4648 0.108 Uiso 1 1 calc R . .
H7C H -1.1240 0.6661 -0.4973 0.108 Uiso 1 1 calc R . .
C8 C -0.9633(9) 0.8545(8) -0.3877(6) 0.059(3) Uani 1 1 d D . .
H8A H -0.8883 0.8924 -0.3566 0.071 Uiso 1 1 calc R . .
H8B H -0.9482 0.8141 -0.4330 0.071 Uiso 1 1 calc R . .
C9 C -1.0447(11) 0.9255(9) -0.4021(7) 0.083(4) Uani 1 1 d D . .
H9A H -1.0124 0.9675 -0.4252 0.100 Uiso 1 1 calc R . .
H9B H -1.0577 0.9681 -0.3574 0.100 Uiso 1 1 calc R . .
H9C H -1.1191 0.8889 -0.4334 0.100 Uiso 1 1 calc R . .
C10 C -0.9002(8) 0.6837(7) -0.3204(5) 0.047(2) Uani 1 1 d . . .
C11 C -0.9313(9) 0.5958(8) -0.3078(6) 0.059(3) Uani 1 1 d . . .
H11A H -1.0114 0.5733 -0.3166 0.071 Uiso 1 1 calc R . .
C12 C -0.8467(10) 0.5415(9) -0.2827(7) 0.069(3) Uani 1 1 d . . .
H12A H -0.8708 0.4814 -0.2753 0.083 Uiso 1 1 calc R . .
C13 C -0.7007(10) 0.6514(9) -0.2814(6) 0.069(3) Uani 1 1 d . . .
H13A H -0.6200 0.6708 -0.2735 0.082 Uiso 1 1 calc R . .
C14 C -0.7817(9) 0.7100(8) -0.3064(6) 0.059(3) Uani 1 1 d . . .
H14A H -0.7553 0.7693 -0.3141 0.071 Uiso 1 1 calc R . .
C15 C -0.5271(9) 0.3449(9) -0.1346(6) 0.063(3) Uani 1 1 d . E .
H15A H -0.6065 0.3177 -0.1541 0.075 Uiso 1 1 calc R . .
C16 C -0.4542(9) 0.3002(8) -0.0919(6) 0.060(3) Uani 1 1 d . . .
H16A H -0.4846 0.2447 -0.0816 0.073 Uiso 1 1 calc R E .
C17 C -0.3367(8) 0.3357(7) -0.0637(5) 0.046(2) Uani 1 1 d . E .
C18 C -0.3010(9) 0.4185(8) -0.0803(6) 0.060(3) Uani 1 1 d . . .
H18A H -0.2217 0.4466 -0.0627 0.072 Uiso 1 1 calc R E .
C19 C -0.3793(10) 0.4599(8) -0.1220(6) 0.065(3) Uani 1 1 d . E .
H19A H -0.3524 0.5171 -0.1319 0.078 Uiso 1 1 calc R . .
C20 C -0.304(3) 0.1918(15) 0.0265(14) 0.059(9) Uani 0.40 1 d PDU E 1
H20A H -0.3728 0.1500 -0.0097 0.071 Uiso 0.40 1 calc PR E 1
H20B H -0.2498 0.1469 0.0435 0.071 Uiso 0.40 1 calc PR E 1
C21 C -0.340(3) 0.260(2) 0.0850(14) 0.066(8) Uani 0.40 1 d PDU E 1
H21A H -0.4019 0.2249 0.0962 0.080 Uiso 0.40 1 calc PR E 1
H21B H -0.3697 0.3176 0.0716 0.080 Uiso 0.40 1 calc PR E 1
H21C H -0.2731 0.2831 0.1266 0.080 Uiso 0.40 1 calc PR E 1
C22 C -0.188(5) 0.1534(18) -0.060(3) 0.16(3) Uani 0.40 1 d PDU E 1
H22A H -0.1280 0.1268 -0.0291 0.196 Uiso 0.40 1 calc PR E 1
H22B H -0.2551 0.1017 -0.0856 0.196 Uiso 0.40 1 calc PR E 1
C23 C -0.140(4) 0.191(4) -0.107(3) 0.128(18) Uani 0.40 1 d PDU E 1
H23A H -0.1059 0.1375 -0.1368 0.154 Uiso 0.40 1 calc PR E 1
H23B H -0.0798 0.2472 -0.0794 0.154 Uiso 0.40 1 calc PR E 1
H23C H -0.2027 0.2147 -0.1376 0.154 Uiso 0.40 1 calc PR E 1
C20' C -0.306(2) 0.224(2) 0.0440(14) 0.098(10) Uani 0.60 1 d PDU E 2
H20C H -0.3468 0.2800 0.0676 0.118 Uiso 0.60 1 calc PR E 2
H20D H -0.3685 0.1717 0.0103 0.118 Uiso 0.60 1 calc PR E 2
C21' C -0.249(2) 0.182(2) 0.0984(14) 0.114(9) Uani 0.60 1 d PDU E 2
H21D H -0.3079 0.1508 0.1140 0.137 Uiso 0.60 1 calc PR E 2
H21E H -0.2000 0.2358 0.1388 0.137 Uiso 0.60 1 calc PR E 2
H21F H -0.2001 0.1315 0.0790 0.137 Uiso 0.60 1 calc PR E 2
C22' C -0.1650(12) 0.1866(13) -0.0742(8) 0.062(5) Uani 0.60 1 d PDU E 2
H22C H -0.1241 0.2284 -0.0946 0.075 Uiso 0.60 1 calc PR E 2
H22D H -0.1042 0.1562 -0.0470 0.075 Uiso 0.60 1 calc PR E 2
C23' C -0.2363(16) 0.1054(13) -0.1331(9) 0.075(6) Uani 0.60 1 d PDU E 2
H23D H -0.1868 0.0682 -0.1620 0.090 Uiso 0.60 1 calc PR E 2
H23E H -0.2958 0.1331 -0.1624 0.090 Uiso 0.60 1 calc PR E 2
H23F H -0.2745 0.0600 -0.1149 0.090 Uiso 0.60 1 calc PR E 2
C24 C -0.1184(8) 0.3699(7) 0.0583(5) 0.043(2) Uani 1 1 d . E .
C25 C -0.0049(8) 0.3478(7) 0.0811(5) 0.050(2) Uani 1 1 d . . .
H25A H 0.0171 0.2836 0.0594 0.060 Uiso 1 1 calc R E .
C26 C 0.0762(10) 0.4186(9) 0.1350(6) 0.062(3) Uani 1 1 d . E .
H26A H 0.1531 0.4015 0.1493 0.075 Uiso 1 1 calc R . .
C27 C -0.0556(11) 0.5309(7) 0.1467(6) 0.061(3) Uani 1 1 d . E .
H27A H -0.0740 0.5959 0.1696 0.074 Uiso 1 1 calc R . .
C28 C -0.1434(9) 0.4648(7) 0.0932(5) 0.053(2) Uani 1 1 d . . .
H28A H -0.2195 0.4844 0.0808 0.063 Uiso 1 1 calc R E .
C29 C 0.2465(11) 0.8443(12) 0.3111(7) 0.082(4) Uani 1 1 d . . .
H29A H 0.1658 0.8426 0.3096 0.098 Uiso 1 1 calc R . .
C30 C 0.3106(10) 0.9383(9) 0.3295(6) 0.068(3) Uani 1 1 d . . .
H30A H 0.2734 0.9980 0.3406 0.081 Uiso 1 1 calc R . .
C31 C 0.4272(8) 0.9437(7) 0.3313(5) 0.046(2) Uani 1 1 d . . .
C32 C 0.4725(11) 0.8521(8) 0.3159(6) 0.068(3) Uani 1 1 d . . .
H32A H 0.5530 0.8506 0.3171 0.082 Uiso 1 1 calc R . .
C33 C 0.4039(13) 0.7632(9) 0.2989(6) 0.079(4) Uani 1 1 d . . .
H33A H 0.4391 0.7023 0.2889 0.094 Uiso 1 1 calc R . .
C34 C 0.6691(8) 1.0585(7) 0.4045(4) 0.052(2) Uani 1 1 d D . .
H34A H 0.7086 1.0080 0.3751 0.062 Uiso 1 1 calc R . .
H34B H 0.7148 1.1245 0.4172 0.062 Uiso 1 1 calc R . .
C35 C 0.6749(10) 1.0349(9) 0.4695(5) 0.072(3) Uani 1 1 d D . .
H35A H 0.7567 1.0349 0.4940 0.086 Uiso 1 1 calc R . .
H35B H 0.6330 0.9685 0.4581 0.086 Uiso 1 1 calc R . .
H35C H 0.6388 1.0855 0.5004 0.086 Uiso 1 1 calc R . .
C36 C 0.4491(10) 1.1746(7) 0.3883(4) 0.056(3) Uani 1 1 d D . .
H36A H 0.4935 1.2354 0.3883 0.067 Uiso 1 1 calc R . .
H36B H 0.3699 1.1693 0.3569 0.067 Uiso 1 1 calc R . .
C37 C 0.4378(11) 1.1903(10) 0.4598(4) 0.077(3) Uani 1 1 d D . .
H37A H 0.3993 1.2510 0.4747 0.093 Uiso 1 1 calc R . .
H37B H 0.5155 1.1980 0.4922 0.093 Uiso 1 1 calc R . .
H37C H 0.3910 1.1323 0.4607 0.093 Uiso 1 1 calc R . .
C38 C 0.5288(8) 1.0589(6) 0.2558(4) 0.040(2) Uani 1 1 d . . .
C39 C 0.5920(8) 0.9908(7) 0.2182(5) 0.048(2) Uani 1 1 d . . .
H39A H 0.6400 0.9511 0.2411 0.057 Uiso 1 1 calc R . .
C40 C 0.5858(9) 0.9804(7) 0.1486(5) 0.051(2) Uani 1 1 d . . .
H40A H 0.6295 0.9325 0.1247 0.061 Uiso 1 1 calc R . .
C41 C 0.4655(9) 1.1026(7) 0.1493(5) 0.052(2) Uani 1 1 d . . .
H41A H 0.4226 1.1444 0.1258 0.062 Uiso 1 1 calc R . .
C42 C 0.4658(9) 1.1168(7) 0.2189(5) 0.050(2) Uani 1 1 d . . .
H42A H 0.4227 1.1665 0.2418 0.061 Uiso 1 1 calc R . .
C43 C -0.7734(13) 1.2790(12) -0.0460(8) 0.085(4) Uani 1 1 d . . .
C45 C 0.4593(12) 0.4921(11) 0.3924(7) 0.079(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'
Si Si 0.0817 0.0704 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Ag1 N1 179.999(2) . 2_375
N2 Ag2 N3 170.8(4) . .
N5 Ag3 N4 150.4(4) . .
N6 Ag4 N6 179.999(1) 2_675 .
C6 Si1 C3 111.8(4) . .
C6 Si1 C10 109.8(4) . .
C3 Si1 C10 101.7(4) . .
C6 Si1 C8 111.6(5) . .
C3 Si1 C8 109.3(5) . .
C10 Si1 C8 112.4(4) . .
C20 Si2 C22 83.6(16) . .
C20 Si2 C20' 15.4(13) . .
C22 Si2 C20' 98.5(17) . .
C20 Si2 C22' 105.6(11) . .
C22 Si2 C22' 22.1(14) . .
C20' Si2 C22' 120.6(13) . .
C20 Si2 C24 113.4(10) . .
C22 Si2 C24 120(2) . .
C20' Si2 C24 102.3(11) . .
C22' Si2 C24 110.5(6) . .
C20 Si2 C17 113.1(11) . .
C22 Si2 C17 116.6(18) . .
C20' Si2 C17 109.1(8) . .
C22' Si2 C17 105.4(7) . .
C24 Si2 C17 108.5(4) . .
C36 Si3 C34 113.0(5) . .
C36 Si3 C31 110.5(5) . .
C34 Si3 C31 108.6(4) . .
C36 Si3 C38 110.5(4) . .
C34 Si3 C38 110.8(4) . .
C31 Si3 C38 103.0(4) . .
O3 S1 O2 117.6(6) . .
O3 S1 O1 115.0(6) . .
O2 S1 O1 111.6(5) . .
O3 S1 C43 103.2(6) . .
O2 S1 C43 102.6(6) . .
O1 S1 C43 104.7(7) . .
O5 S2 O6 117.8(7) . .
O5 S2 O4 111.5(7) . .
O6 S2 O4 115.4(6) . .
O5 S2 C44 93.4(8) . .
O6 S2 C44 103.8(6) . .
O4 S2 C44 112.3(6) . .
O5 S2 C44' 114.9(7) . .
O6 S2 C44' 102.6(6) . .
O4 S2 C44' 91.3(7) . .
C44 S2 C44' 25.1(6) . .
O9 S3 O7 118.5(7) . .
O9 S3 O8 112.2(6) . .
O7 S3 O8 113.9(6) . .
O9 S3 C45 102.5(6) . .
O7 S3 C45 103.1(6) . .
O8 S3 C45 104.2(6) . .
F4' C44 F6 136.6(17) . .
F4' C44 S2 117.5(16) . .
F6 C44 S2 99.7(5) . .
F4 C44' F6 131.5(18) . .
F4 C44' S2 123.8(17) . .
F6 C44' S2 99.7(5) . .
C44 F6 C44' 37.6(10) . .
C46A O10A H10A 113.9 . .
O10A C46A C47 92.4(19) . .
O10A C46A H46A 113.2 . .
C47 C46A H46A 113.2 . .
O10A C46A H46B 113.2 . .
C47 C46A H46B 113.2 . .
H46A C46A H46B 110.6 . .
C46B O10B H10B 110.6 . .
O10B C46B C47 140(3) . .
O10B C46B H46C 102.2 . .
C47 C46B H46C 102.2 . .
O10B C46B H46D 102.2 . .
C47 C46B H46D 102.2 . .
H46C C46B H46D 104.8 . .
C46A C47 C46B 23(4) . .
C46A C47 H47A 109.5 . .
C46B C47 H47A 113.9 . .
C46A C47 H47B 109.5 . .
C46B C47 H47B 124.3 . .
H47A C47 H47B 109.5 . .
C46A C47 H47C 109.5 . .
C46B C47 H47C 87.4 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C46A C47 H47D 98.4 . .
C46B C47 H47D 109.5 . .
H47A C47 H47D 19.0 . .
H47B C47 H47D 100.3 . .
H47C C47 H47D 128.4 . .
C46A C47 H47E 96.0 . .
C46B C47 H47E 109.5 . .
H47A C47 H47E 121.7 . .
H47B C47 H47E 14.9 . .
H47C C47 H47E 109.6 . .
H47D C47 H47E 109.5 . .
C46A C47 H47F 132.2 . .
C46B C47 H47F 109.5 . .
H47A C47 H47F 90.9 . .
H47B C47 H47F 103.0 . .
H47C C47 H47F 24.2 . .
H47D C47 H47F 109.5 . .
H47E C47 H47F 109.5 . .
C5 N1 C1 116.7(9) . .
C5 N1 Ag1 123.1(7) . .
C1 N1 Ag1 119.9(8) . .
C12 N2 C13 117.0(9) . .
C12 N2 Ag2 120.8(7) . .
C13 N2 Ag2 121.9(7) . .
C15 N3 C19 117.2(8) . .
C15 N3 Ag2 121.8(7) . .
C19 N3 Ag2 121.1(7) . .
C26 N4 C27 117.4(9) . .
C26 N4 Ag3 121.8(8) . .
C27 N4 Ag3 120.8(8) . .
C29 N5 C33 116.8(10) . .
C29 N5 Ag3 120.9(9) . .
C33 N5 Ag3 121.7(10) . .
C41 N6 C40 116.3(8) . .
C41 N6 Ag4 122.6(6) . .
C40 N6 Ag4 120.9(7) . .
N1 C1 C2 123.1(11) . .
N1 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C1 C2 C3 120.3(10) . .
C1 C2 H2A 119.8 . .
C3 C2 H2A 119.8 . .
C4 C3 C2 115.7(9) . .
C4 C3 Si1 123.0(7) . .
C2 C3 Si1 121.0(7) . .
C5 C4 C3 120.8(10) . .
C5 C4 H4A 119.6 . .
C3 C4 H4A 119.6 . .
N1 C5 C4 123.1(9) . .
N1 C5 H5A 118.5 . .
C4 C5 H5A 118.5 . .
C7 C6 Si1 115.5(8) . .
C7 C6 H6A 108.4 . .
Si1 C6 H6A 108.4 . .
C7 C6 H6B 108.4 . .
Si1 C6 H6B 108.4 . .
H6A C6 H6B 107.5 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 Si1 114.5(8) . .
C9 C8 H8A 108.6 . .
Si1 C8 H8A 108.6 . .
C9 C8 H8B 108.6 . .
Si1 C8 H8B 108.6 . .
H8A C8 H8B 107.6 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C14 C10 C11 115.7(9) . .
C14 C10 Si1 123.4(7) . .
C11 C10 Si1 120.5(7) . .
C12 C11 C10 120.3(10) . .
C12 C11 H11A 119.9 . .
C10 C11 H11A 119.9 . .
N2 C12 C11 123.6(10) . .
N2 C12 H12A 118.2 . .
C11 C12 H12A 118.2 . .
N2 C13 C14 122.3(10) . .
N2 C13 H13A 118.9 . .
C14 C13 H13A 118.9 . .
C10 C14 C13 121.0(10) . .
C10 C14 H14A 119.5 . .
C13 C14 H14A 119.5 . .
N3 C15 C16 123.1(9) . .
N3 C15 H15A 118.5 . .
C16 C15 H15A 118.5 . .
C15 C16 C17 120.6(9) . .
C15 C16 H16A 119.7 . .
C17 C16 H16A 119.7 . .
C16 C17 C18 115.5(8) . .
C16 C17 Si2 122.2(7) . .
C18 C17 Si2 122.3(7) . .
C19 C18 C17 120.4(9) . .
C19 C18 H18A 119.8 . .
C17 C18 H18A 119.8 . .
N3 C19 C18 123.3(10) . .
N3 C19 H19A 118.4 . .
C18 C19 H19A 118.4 . .
C21 C20 Si2 105.6(14) . .
C21 C20 H20A 110.6 . .
Si2 C20 H20A 110.6 . .
C21 C20 H20B 110.6 . .
Si2 C20 H20B 110.6 . .
H20A C20 H20B 108.8 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 Si2 97(3) . .
C23 C22 H22A 112.3 . .
Si2 C22 H22A 112.3 . .
C23 C22 H22B 112.3 . .
Si2 C22 H22B 112.3 . .
H22A C22 H22B 109.9 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21' C20' Si2 124.4(17) . .
C21' C20' H20C 106.2 . .
Si2 C20' H20C 106.2 . .
C21' C20' H20D 106.2 . .
Si2 C20' H20D 106.2 . .
H20C C20' H20D 106.4 . .
C20' C21' H21D 109.5 . .
C20' C21' H21E 109.5 . .
H21D C21' H21E 109.5 . .
C20' C21' H21F 109.5 . .
H21D C21' H21F 109.5 . .
H21E C21' H21F 109.5 . .
C23' C22' Si2 120.4(11) . .
C23' C22' H22C 107.2 . .
Si2 C22' H22C 107.2 . .
C23' C22' H22D 107.2 . .
Si2 C22' H22D 107.2 . .
H22C C22' H22D 106.8 . .
C22' C23' H23D 109.5 . .
C22' C23' H23E 109.5 . .
H23D C23' H23E 109.5 . .
C22' C23' H23F 109.5 . .
H23D C23' H23F 109.5 . .
H23E C23' H23F 109.5 . .
C28 C24 C25 116.0(9) . .
C28 C24 Si2 123.0(7) . .
C25 C24 Si2 120.8(7) . .
C26 C25 C24 120.4(10) . .
C26 C25 H25A 119.8 . .
C24 C25 H25A 119.8 . .
N4 C26 C25 123.1(10) . .
N4 C26 H26A 118.5 . .
C25 C26 H26A 118.5 . .
N4 C27 C28 123.8(10) . .
N4 C27 H27A 118.1 . .
C28 C27 H27A 118.1 . .
C24 C28 C27 119.3(9) . .
C24 C28 H28A 120.4 . .
C27 C28 H28A 120.4 . .
N5 C29 C30 123.7(12) . .
N5 C29 H29A 118.1 . .
C30 C29 H29A 118.1 . .
C31 C30 C29 119.8(12) . .
C31 C30 H30A 120.1 . .
C29 C30 H30A 120.1 . .
C30 C31 C32 114.9(9) . .
C30 C31 Si3 124.3(8) . .
C32 C31 Si3 120.6(8) . .
C33 C32 C31 121.7(12) . .
C33 C32 H32A 119.2 . .
C31 C32 H32A 119.2 . .
N5 C33 C32 123.0(13) . .
N5 C33 H33A 118.5 . .
C32 C33 H33A 118.5 . .
C35 C34 Si3 117.6(7) . .
C35 C34 H34A 107.9 . .
Si3 C34 H34A 107.9 . .
C35 C34 H34B 107.9 . .
Si3 C34 H34B 107.9 . .
H34A C34 H34B 107.2 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 Si3 117.6(8) . .
C37 C36 H36A 107.9 . .
Si3 C36 H36A 107.9 . .
C37 C36 H36B 107.9 . .
Si3 C36 H36B 107.9 . .
H36A C36 H36B 107.2 . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C42 C38 C39 115.2(8) . .
C42 C38 Si3 123.0(7) . .
C39 C38 Si3 121.7(6) . .
C40 C39 C38 120.9(9) . .
C40 C39 H39A 119.6 . .
C38 C39 H39A 119.6 . .
N6 C40 C39 123.4(9) . .
N6 C40 H40A 118.3 . .
C39 C40 H40A 118.3 . .
N6 C41 C42 123.8(9) . .
N6 C41 H41A 118.1 . .
C42 C41 H41A 118.1 . .
C41 C42 C38 120.2(9) . .
C41 C42 H42A 119.9 . .
C38 C42 H42A 119.9 . .
F1 C43 F2 107.3(11) . .
F1 C43 F3 103.6(13) . .
F2 C43 F3 110.6(13) . .
F1 C43 S1 112.8(11) . .
F2 C43 S1 110.5(10) . .
F3 C43 S1 111.7(9) . .
F8 C45 F9 110.9(12) . .
F8 C45 F7 107.1(12) . .
F9 C45 F7 104.2(13) . .
F8 C45 S3 112.5(11) . .
F9 C45 S3 112.3(10) . .
F7 C45 S3 109.3(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.134(9) .
Ag1 N1 2.134(9) 2_375
Ag2 N2 2.132(8) .
Ag2 N3 2.140(8) .
Ag3 N5 2.174(9) .
Ag3 N4 2.175(8) .
Ag4 N6 2.163(8) 2_675
Ag4 N6 2.163(8) .
Si1 C6 1.861(10) .
Si1 C3 1.873(10) .
Si1 C10 1.884(10) .
Si1 C8 1.886(9) .
Si2 C20 1.830(4) .
Si2 C22 1.830(4) .
Si2 C20' 1.834(5) .
Si2 C22' 1.836(5) .
Si2 C24 1.874(9) .
Si2 C17 1.883(9) .
Si3 C36 1.862(10) .
Si3 C34 1.874(9) .
Si3 C31 1.886(9) .
Si3 C38 1.894(9) .
S1 O3 1.412(8) .
S1 O2 1.420(9) .
S1 O1 1.435(8) .
S1 C43 1.794(12) .
S2 O5 1.399(10) .
S2 O6 1.414(9) .
S2 O4 1.423(9) .
S2 C44 1.9999(7) .
S2 C44' 2.0000(7) .
S3 O9 1.401(8) .
S3 O7 1.408(8) .
S3 O8 1.427(8) .
S3 C45 1.824(12) .
F1 C43 1.307(16) .
F2 C43 1.315(17) .
F3 C43 1.333(15) .
F4' C44 0.96(2) .
C44 F6 1.3498(15) .
F4 C44' 0.94(2) .
C44' F6 1.3500(15) .
F7 C45 1.362(16) .
F8 C45 1.264(15) .
F9 C45 1.270(15) .
O10A C46A 1.424(5) .
O10A H10A 0.9801 .
C46A C47 1.518(4) .
C46A H46A 0.9900 .
C46A H46B 0.9900 .
O10B C46B 1.422(5) .
O10B H10B 0.9800 .
C46B C47 1.520(4) .
C46B H46C 0.9900 .
C46B H46D 0.9900 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C47 H47D 0.9800 .
C47 H47E 0.9800 .
C47 H47F 0.9800 .
N1 C5 1.337(13) .
N1 C1 1.343(14) .
N2 C12 1.336(14) .
N2 C13 1.336(13) .
N3 C15 1.318(13) .
N3 C19 1.335(13) .
N4 C26 1.315(14) .
N4 C27 1.320(14) .
N5 C29 1.312(17) .
N5 C33 1.314(17) .
N6 C41 1.330(12) .
N6 C40 1.330(12) .
C1 C2 1.376(16) .
C1 H1A 0.9500 .
C2 C3 1.393(14) .
C2 H2A 0.9500 .
C3 C4 1.388(13) .
C4 C5 1.374(14) .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C6 C7 1.451(2) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.451(2) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C14 1.382(13) .
C10 C11 1.393(13) .
C11 C12 1.371(14) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.387(14) .
C13 H13A 0.9500 .
C14 H14A 0.9500 .
C15 C16 1.380(13) .
C15 H15A 0.9500 .
C16 C17 1.388(13) .
C16 H16A 0.9500 .
C17 C18 1.390(13) .
C18 C19 1.370(13) .
C18 H18A 0.9500 .
C19 H19A 0.9500 .
C20 C21 1.4500(15) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.450(2) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C20' C21' 1.450(2) .
C20' H20C 0.9900 .
C20' H20D 0.9900 .
C21' H21D 0.9800 .
C21' H21E 0.9800 .
C21' H21F 0.9800 .
C22' C23' 1.451(2) .
C22' H22C 0.9900 .
C22' H22D 0.9900 .
C23' H23D 0.9800 .
C23' H23E 0.9800 .
C23' H23F 0.9800 .
C24 C28 1.386(13) .
C24 C25 1.392(13) .
C25 C26 1.384(13) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
C27 C28 1.391(14) .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 C30 1.405(16) .
C29 H29A 0.9500 .
C30 C31 1.374(14) .
C30 H30A 0.9500 .
C31 C32 1.384(15) .
C32 C33 1.374(14) .
C32 H32A 0.9500 .
C33 H33A 0.9500 .
C34 C35 1.452(2) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.452(2) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C42 1.386(12) .
C38 C39 1.393(13) .
C39 C40 1.370(13) .
C39 H39A 0.9500 .
C40 H40A 0.9500 .
C41 C42 1.378(13) .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
