#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:50:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179939 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/34/7023483.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_7023483
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            'C48 H62 Ag3 F9 N6 O10 S3 Si3'
_chemical_formula_weight         1558.10
_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                105.7230(10)
_cell_angle_beta                 104.7420(10)
_cell_angle_gamma                92.2330(10)
_cell_formula_units_Z            2
_cell_length_a                   11.8800(2)
_cell_length_b                   13.9822(2)
_cell_length_c                   20.7627(3)
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      2.92
_cell_volume                     3188.88(9)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0357
_diffrn_reflns_av_unetI/netI     0.0325
_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       -25
_diffrn_reflns_number            49257
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_T_max  0.7702
_exptl_absorpt_correction_T_min  0.6695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flat
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.24
_refine_diff_density_max         6.500
_refine_diff_density_min         -2.295
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         12503
_refine_ls_number_restraints     98
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0604
_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)+(0.0754P)²+15.5708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1655
_reflns_number_gt                9779
_reflns_number_total             12503
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51398j.txt
_cod_data_source_block           939632
_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        3188.88(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7023483
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 0.0000 0.0000 0.04232(17) Uani 1 2 d S . .
Ag2 Ag 0.69504(5) -0.39931(4) 0.25146(3) 0.05209(16) Uani 1 1 d . . .
Ag3 Ag -0.10870(4) -0.49996(4) -0.21265(3) 0.05033(15) Uani 1 1 d . . .
Ag4 Ag -0.5000 0.0000 0.0000 0.0563(2) Uani 1 2 d S . .
Si1 Si 1.02549(13) 0.05419(10) 0.34198(7) 0.0285(3) Uani 1 1 d . . .
Si2 Si 0.27006(17) -0.72889(12) -0.01221(10) 0.0549(5) Uani 1 1 d D . .
Si3 Si -0.51915(13) -0.21819(11) -0.33638(8) 0.0307(3) Uani 1 1 d . . .
S1 S 0.88035(12) -0.56378(10) 0.29810(7) 0.0343(3) Uani 1 1 d . . .
S2 S -0.33706(15) -0.76108(13) -0.28931(9) 0.0504(4) Uani 1 1 d . A .
S3 S -0.23228(15) 0.20875(11) 0.01439(8) 0.0417(3) Uani 1 1 d . . .
F1 F 0.9430(5) -0.4186(4) 0.4138(3) 0.0918(16) Uani 1 1 d . . .
F2 F 1.0738(4) -0.5128(5) 0.3976(3) 0.0992(18) Uani 1 1 d . . .
F3 F 0.9275(5) -0.5632(4) 0.4277(2) 0.0914(17) Uani 1 1 d . . .
F4A F -0.3445(11) -0.6577(7) -0.3802(7) 0.061(3) Uani 0.55 1 d PDU A 1
F5A F -0.1838(10) -0.7050(11) -0.3483(7) 0.091(4) Uani 0.55 1 d PU A 1
F6A F -0.3141(15) -0.8224(12) -0.4211(7) 0.121(6) Uani 0.55 1 d PDU A 1
F4B F -0.3871(15) -0.6887(13) -0.3949(11) 0.092(7) Uani 0.45 1 d PDU A 2
F5B F -0.1975(15) -0.7522(19) -0.3751(14) 0.152(10) Uani 0.45 1 d PDU A 2
F6B F -0.3696(16) -0.8239(13) -0.4171(9) 0.131(7) Uani 0.45 1 d PDU A 2
F7 F -0.3584(5) 0.3352(5) -0.0338(3) 0.107(2) Uani 1 1 d . . .
F8 F -0.1857(6) 0.3524(4) -0.0368(3) 0.103(2) Uani 1 1 d . . .
F9 F -0.2962(6) 0.2277(5) -0.1103(3) 0.109(2) Uani 1 1 d . . .
O1 O 0.7604(4) -0.5566(4) 0.2979(2) 0.0515(11) Uani 1 1 d . . .
O2 O 0.9114(5) -0.6628(3) 0.2806(3) 0.0624(13) Uani 1 1 d . . .
O3 O 0.9240(5) -0.4972(4) 0.2658(3) 0.0599(13) Uani 1 1 d . . .
O4 O -0.2890(4) -0.6665(4) -0.2395(3) 0.0635(13) Uani 1 1 d . . .
O5 O -0.2763(6) -0.8440(5) -0.2783(3) 0.088(2) Uani 1 1 d . . .
O6 O -0.4609(5) -0.7768(5) -0.3068(4) 0.088(2) Uani 1 1 d . . .
O7 O -0.1992(5) 0.2788(3) 0.0815(2) 0.0572(12) Uani 1 1 d . . .
O8 O -0.3415(6) 0.1494(4) 0.0009(3) 0.0749(16) Uani 1 1 d . . .
O9 O -0.1411(6) 0.1583(5) -0.0072(3) 0.0822(19) Uani 1 1 d . . .
O10 O 0.5854(5) -0.3735(5) 0.3394(3) 0.0808(17) Uani 1 1 d D . .
H10 H 0.5482 -0.3235 0.3454 0.097 Uiso 1 1 calc R B 1
C46A C 0.6175(12) -0.4006(8) 0.4006(4) 0.069(4) Uani 0.60 1 d PD C 1
H46A H 0.6595 -0.4607 0.3932 0.083 Uiso 0.60 1 calc PR C 1
H46B H 0.5462 -0.4176 0.4136 0.083 Uiso 0.60 1 calc PR C 1
C47A C 0.6912(13) -0.3209(9) 0.4560(6) 0.082(5) Uani 0.60 1 d PDU C 1
H47A H 0.6477 -0.2620 0.4647 0.099 Uiso 0.60 1 calc PR C 1
H47B H 0.7603 -0.3017 0.4419 0.099 Uiso 0.60 1 calc PR C 1
C46B C 0.655(2) -0.3325(14) 0.4076(6) 0.087(7) Uani 0.40 1 d PDU C 2
H46C H 0.6237 -0.2708 0.4292 0.105 Uiso 0.40 1 calc PR C 2
H46D H 0.7353 -0.3135 0.4067 0.105 Uiso 0.40 1 calc PR C 2
C47B C 0.659(2) -0.3988(12) 0.4497(7) 0.109(11) Uani 0.40 1 d PD C 2
H47C H 0.5788 -0.4190 0.4507 0.131 Uiso 0.40 1 calc PR C 2
H47D H 0.6928 -0.4599 0.4297 0.131 Uiso 0.40 1 calc PR C 2
C48 C 0.7296(12) -0.3491(9) 0.5187(6) 0.120(4) Uani 1 1 d D . .
H48A H 0.7794 -0.2929 0.5555 0.144 Uiso 0.60 1 calc PR C 1
H48B H 0.7744 -0.4065 0.5105 0.144 Uiso 0.60 1 calc PR C 1
H48C H 0.6613 -0.3674 0.5331 0.144 Uiso 0.60 1 calc PR C 1
H48D H 0.7336 -0.3946 0.5476 0.144 Uiso 0.40 1 calc PR C 2
H48E H 0.6949 -0.2896 0.5385 0.144 Uiso 0.40 1 calc PR C 2
H48F H 0.8088 -0.3293 0.5173 0.144 Uiso 0.40 1 calc PR C 2
N1 N 1.0218(4) 0.0301(3) 0.1105(2) 0.0375(11) Uani 1 1 d . . .
N2 N 0.8034(5) -0.2545(4) 0.2944(3) 0.0485(13) Uani 1 1 d . . .
N3 N 0.5610(4) -0.5011(4) 0.1647(3) 0.0400(11) Uani 1 1 d . . .
N4 N 0.0080(4) -0.5703(4) -0.1470(3) 0.0410(11) Uani 1 1 d . . .
N5 N -0.2348(5) -0.4182(4) -0.2614(3) 0.0471(13) Uani 1 1 d . . .
N6 N -0.5280(6) -0.0573(4) -0.1094(3) 0.0531(14) Uani 1 1 d . . .
C1 C 0.9643(6) 0.0977(4) 0.1454(3) 0.0442(14) Uani 1 1 d . . .
H1A H 0.9200 0.1391 0.1216 0.053 Uiso 1 1 calc R . .
C2 C 0.9668(5) 0.1097(4) 0.2139(3) 0.0390(13) Uani 1 1 d . . .
H2A H 0.9241 0.1583 0.2358 0.047 Uiso 1 1 calc R . .
C3 C 1.0308(5) 0.0517(4) 0.2513(3) 0.0310(11) Uani 1 1 d . . .
C4 C 1.0951(5) -0.0146(4) 0.2151(3) 0.0396(13) Uani 1 1 d . . .
H4A H 1.1440 -0.0541 0.2384 0.048 Uiso 1 1 calc R . .
C5 C 1.0883(5) -0.0234(4) 0.1471(3) 0.0397(13) Uani 1 1 d . . .
H5A H 1.1327 -0.0696 0.1245 0.048 Uiso 1 1 calc R . .
C6 C 0.9514(5) 0.1635(4) 0.3793(2) 0.0380(12) Uani 1 1 d D . .
H6A H 0.9907 0.2245 0.3753 0.046 Uiso 1 1 calc R . .
H6B H 0.8695 0.1541 0.3500 0.046 Uiso 1 1 calc R . .
C7 C 0.9487(6) 0.1816(5) 0.4513(2) 0.0502(16) Uani 1 1 d D . .
H7A H 0.9076 0.2401 0.4644 0.060 Uiso 1 1 calc R . .
H7B H 1.0291 0.1940 0.4816 0.060 Uiso 1 1 calc R . .
H7C H 0.9077 0.1230 0.4562 0.060 Uiso 1 1 calc R . .
C8 C 1.1755(5) 0.0509(4) 0.3980(3) 0.0395(13) Uani 1 1 d D . .
H8A H 1.2150 0.0020 0.3696 0.047 Uiso 1 1 calc R . .
H8B H 1.2203 0.1174 0.4098 0.047 Uiso 1 1 calc R . .
C9 C 1.1846(7) 0.0257(6) 0.4625(3) 0.0612(19) Uani 1 1 d D . .
H9A H 1.2673 0.0267 0.4864 0.073 Uiso 1 1 calc R . .
H9B H 1.1435 -0.0412 0.4521 0.073 Uiso 1 1 calc R . .
H9C H 1.1489 0.0747 0.4924 0.073 Uiso 1 1 calc R . .
C10 C 0.9349(5) -0.0677(4) 0.3273(3) 0.0322(11) Uani 1 1 d . . .
C11 C 0.8196(6) -0.0753(5) 0.3298(3) 0.0459(14) Uani 1 1 d . . .
H11A H 0.7833 -0.0166 0.3433 0.055 Uiso 1 1 calc R . .
C12 C 0.7566(6) -0.1699(5) 0.3124(4) 0.0516(16) Uani 1 1 d . . .
H12A H 0.6771 -0.1736 0.3135 0.062 Uiso 1 1 calc R . .
C13 C 0.9152(6) -0.2485(4) 0.2941(4) 0.0477(15) Uani 1 1 d . . .
H13A H 0.9504 -0.3085 0.2828 0.057 Uiso 1 1 calc R . .
C14 C 0.9816(5) -0.1580(4) 0.3096(3) 0.0422(14) Uani 1 1 d . . .
H14A H 1.0609 -0.1571 0.3081 0.051 Uiso 1 1 calc R . .
C15 C 0.4536(6) -0.4764(4) 0.1446(3) 0.0423(14) Uani 1 1 d . D .
H15A H 0.4370 -0.4121 0.1675 0.051 Uiso 1 1 calc R . .
C16 C 0.3640(5) -0.5405(4) 0.0915(3) 0.0385(13) Uani 1 1 d . . .
H16A H 0.2878 -0.5203 0.0797 0.046 Uiso 1 1 calc R D .
C17 C 0.3865(5) -0.6343(4) 0.0557(3) 0.0338(11) Uani 1 1 d . D .
C18 C 0.5003(5) -0.6580(4) 0.0779(3) 0.0397(13) Uani 1 1 d . . .
H18A H 0.5200 -0.7214 0.0557 0.048 Uiso 1 1 calc R D .
C19 C 0.5844(5) -0.5918(4) 0.1312(3) 0.0422(13) Uani 1 1 d . D .
H19A H 0.6609 -0.6105 0.1448 0.051 Uiso 1 1 calc R . .
C20A C 0.2023(16) -0.778(2) 0.0422(13) 0.081(10) Uani 0.40 1 d PDU D 1
H20A H 0.1687 -0.7215 0.0680 0.098 Uiso 0.40 1 calc PR D 1
H20B H 0.1347 -0.8258 0.0098 0.098 Uiso 0.40 1 calc PR D 1
C21A C 0.2568(19) -0.8280(15) 0.0931(11) 0.077(4) Uani 0.40 1 d PD D 1
H21A H 0.1982 -0.8763 0.0965 0.116 Uiso 0.40 1 calc PR D 1
H21B H 0.2890 -0.7783 0.1385 0.116 Uiso 0.40 1 calc PR D 1
H21C H 0.3201 -0.8631 0.0786 0.116 Uiso 0.40 1 calc PR D 1
C22A C 0.3272(12) -0.8298(12) -0.0643(5) 0.064(6) Uani 0.40 1 d PDU D 1
H22A H 0.4061 -0.8032 -0.0636 0.077 Uiso 0.40 1 calc PR D 1
H22B H 0.3389 -0.8811 -0.0391 0.077 Uiso 0.40 1 calc PR D 1
C20B C 0.1978(15) -0.8083(11) 0.0240(8) 0.097(9) Uani 0.60 1 d PD D 2
H20C H 0.1272 -0.8477 -0.0115 0.116 Uiso 0.60 1 calc PR D 2
H20D H 0.2511 -0.8552 0.0396 0.116 Uiso 0.60 1 calc PR D 2
C21B C 0.1652(17) -0.7445(13) 0.0825(10) 0.104(7) Uani 0.60 1 d PD D 2
H21D H 0.1276 -0.7860 0.1042 0.156 Uiso 0.60 1 calc PR D 2
H21E H 0.1104 -0.6999 0.0662 0.156 Uiso 0.60 1 calc PR D 2
H21F H 0.2354 -0.7045 0.1167 0.156 Uiso 0.60 1 calc PR D 2
C22B C 0.3337(9) -0.8003(9) -0.0775(5) 0.077(4) Uani 0.60 1 d PDU D 2
H22C H 0.3661 -0.7518 -0.0970 0.093 Uiso 0.60 1 calc PR D 2
H22D H 0.4013 -0.8277 -0.0526 0.093 Uiso 0.60 1 calc PR D 2
C23 C 0.2677(12) -0.8823(10) -0.1363(5) 0.174(8) Uani 1 1 d D . .
H23A H 0.3258 -0.9037 -0.1617 0.209 Uiso 0.40 1 calc PR D 1
H23B H 0.2194 -0.8377 -0.1575 0.209 Uiso 0.40 1 calc PR D 1
H23C H 0.2176 -0.9411 -0.1384 0.209 Uiso 0.40 1 calc PR D 1
H23D H 0.3220 -0.9235 -0.1565 0.209 Uiso 0.60 1 calc PR D 2
H23E H 0.2187 -0.8556 -0.1714 0.209 Uiso 0.60 1 calc PR D 2
H23F H 0.2177 -0.9234 -0.1206 0.209 Uiso 0.60 1 calc PR D 2
C24 C 0.1642(5) -0.6620(4) -0.0638(3) 0.0386(13) Uani 1 1 d . D .
C25 C 0.1996(5) -0.5771(5) -0.0791(3) 0.0457(15) Uani 1 1 d . . .
H25A H 0.2793 -0.5490 -0.0616 0.055 Uiso 1 1 calc R D .
C26 C 0.1203(6) -0.5333(5) -0.1193(3) 0.0470(15) Uani 1 1 d . D .
H26A H 0.1467 -0.4741 -0.1278 0.056 Uiso 1 1 calc R . .
C27 C -0.0276(5) -0.6523(5) -0.1339(4) 0.0482(15) Uani 1 1 d . D .
H27A H -0.1072 -0.6803 -0.1540 0.058 Uiso 1 1 calc R . .
C28 C 0.0469(5) -0.6986(5) -0.0921(4) 0.0495(16) Uani 1 1 d . . .
H28A H 0.0172 -0.7560 -0.0828 0.059 Uiso 1 1 calc R D .
C29 C -0.2036(5) -0.3337(5) -0.2740(4) 0.0472(15) Uani 1 1 d . . .
H29A H -0.1227 -0.3137 -0.2660 0.057 Uiso 1 1 calc R . .
C30 C -0.2844(5) -0.2746(5) -0.2982(3) 0.0426(14) Uani 1 1 d . . .
H30A H -0.2581 -0.2149 -0.3061 0.051 Uiso 1 1 calc R . .
C31 C -0.4035(5) -0.3008(4) -0.3111(3) 0.0317(11) Uani 1 1 d . . .
C32 C -0.4346(5) -0.3896(5) -0.2982(3) 0.0431(14) Uani 1 1 d . . .
H32A H -0.5149 -0.4118 -0.3061 0.052 Uiso 1 1 calc R . .
C33 C -0.3490(6) -0.4454(5) -0.2741(4) 0.0477(15) Uani 1 1 d . . .
H33A H -0.3725 -0.5059 -0.2661 0.057 Uiso 1 1 calc R . .
C34 C -0.6584(5) -0.2950(5) -0.3921(3) 0.0449(14) Uani 1 1 d D . .
H34A H -0.6792 -0.3437 -0.3689 0.054 Uiso 1 1 calc R . .
H34B H -0.7213 -0.2507 -0.3957 0.054 Uiso 1 1 calc R . .
C35 C -0.6555(9) -0.3493(7) -0.4619(3) 0.083(3) Uani 1 1 d D . .
H35A H -0.7321 -0.3877 -0.4877 0.100 Uiso 1 1 calc R . .
H35B H -0.5952 -0.3950 -0.4592 0.100 Uiso 1 1 calc R . .
H35C H -0.6374 -0.3018 -0.4860 0.100 Uiso 1 1 calc R . .
C36 C -0.4674(5) -0.1285(4) -0.3785(3) 0.0453(14) Uani 1 1 d D . .
H36A H -0.3930 -0.0899 -0.3469 0.054 Uiso 1 1 calc R . .
H36B H -0.4505 -0.1676 -0.4218 0.054 Uiso 1 1 calc R . .
C37 C -0.5493(7) -0.0587(5) -0.3956(5) 0.069(2) Uani 1 1 d D . .
H37A H -0.5153 -0.0149 -0.4172 0.082 Uiso 1 1 calc R . .
H37B H -0.5652 -0.0182 -0.3530 0.082 Uiso 1 1 calc R . .
H37C H -0.6226 -0.0959 -0.4281 0.082 Uiso 1 1 calc R . .
C38 C -0.5353(5) -0.1472(4) -0.2496(3) 0.0363(12) Uani 1 1 d . . .
C39 C -0.4611(7) -0.0605(6) -0.2089(4) 0.067(2) Uani 1 1 d . . .
H39A H -0.4110 -0.0299 -0.2286 0.080 Uiso 1 1 calc R . .
C40 C -0.4595(8) -0.0188(6) -0.1410(4) 0.075(3) Uani 1 1 d . . .
H40A H -0.4076 0.0401 -0.1149 0.090 Uiso 1 1 calc R . .
C41 C -0.6046(6) -0.1374(4) -0.1486(3) 0.0426(14) Uani 1 1 d . . .
H41A H -0.6568 -0.1639 -0.1282 0.051 Uiso 1 1 calc R . .
C42 C -0.6109(5) -0.1828(4) -0.2172(3) 0.0397(13) Uani 1 1 d . . .
H42A H -0.6672 -0.2392 -0.2430 0.048 Uiso 1 1 calc R . .
C43 C 0.9597(6) -0.5115(5) 0.3889(4) 0.0544(17) Uani 1 1 d . . .
C44 C -0.3066(10) -0.7425(6) -0.3629(4) 0.106(4) Uani 1 1 d D . .
C45 C -0.2708(8) 0.2837(6) -0.0453(4) 0.065(2) 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'
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_3
N1 Ag1 N1 180.00(6) 2_755
N3 Ag2 N2 148.0(2) .
N5 Ag3 N4 169.6(2) .
N6 Ag4 N6 179.999(1) 2_455
C8 Si1 C6 113.6(3) .
C8 Si1 C10 107.9(2) .
C6 Si1 C10 110.8(3) .
C8 Si1 C3 110.6(2) .
C6 Si1 C3 110.1(2) .
C10 Si1 C3 103.2(2) .
C20B Si2 C22A 94.4(10) .
C20B Si2 C20A 15.1(13) .
C22A Si2 C20A 108.1(13) .
C20B Si2 C22B 111.8(8) .
C22A Si2 C22B 18.1(7) .
C20A Si2 C22B 125.9(12) .
C20B Si2 C17 112.6(6) .
C22A Si2 C17 113.6(5) .
C20A Si2 C17 100.4(10) .
C22B Si2 C17 109.0(4) .
C20B Si2 C24 112.4(6) .
C22A Si2 C24 114.5(5) .
C20A Si2 C24 110.6(7) .
C22B Si2 C24 101.6(5) .
C17 Si2 C24 108.9(2) .
C34 Si3 C38 111.0(3) .
C34 Si3 C36 111.8(3) .
C38 Si3 C36 109.4(3) .
C34 Si3 C31 110.7(3) .
C38 Si3 C31 101.6(2) .
C36 Si3 C31 112.0(2) .
O2 S1 O1 115.1(3) .
O2 S1 O3 115.8(3) .
O1 S1 O3 113.4(3) .
O2 S1 C43 103.9(3) .
O1 S1 C43 103.6(3) .
O3 S1 C43 102.8(3) .
O6 S2 O5 116.4(4) .
O6 S2 O4 113.1(4) .
O5 S2 O4 115.4(4) .
O6 S2 C44 104.6(5) .
O5 S2 C44 104.4(3) .
O4 S2 C44 100.5(4) .
O7 S3 O9 115.8(4) .
O7 S3 O8 112.4(3) .
O9 S3 O8 117.0(4) .
O7 S3 C45 104.9(4) .
O9 S3 C45 102.5(3) .
O8 S3 C45 101.8(4) .
C46A O10 C46B 41.7(9) .
C46A O10 H10 109.5 .
C46B O10 H10 87.7 .
O10 C46A C47A 110.9(8) .
O10 C46A H46A 109.5 .
C47A C46A H46A 109.5 .
O10 C46A H46B 109.5 .
C47A C46A H46B 109.5 .
H46A C46A H46B 108.1 .
C46A C47A C48 111.7(9) .
C46A C47A H47A 109.3 .
C48 C47A H47A 109.3 .
C46A C47A H47B 109.3 .
C48 C47A H47B 109.3 .
H47A C47A H47B 107.9 .
O10 C46B C47B 113.5(10) .
O10 C46B H46C 108.9 .
C47B C46B H46C 108.9 .
O10 C46B H46D 108.9 .
C47B C46B H46D 108.9 .
H46C C46B H46D 107.7 .
C48 C47B C46B 109.2(10) .
C48 C47B H47C 109.8 .
C46B C47B H47C 109.8 .
C48 C47B H47D 109.8 .
C46B C47B H47D 109.8 .
H47C C47B H47D 108.3 .
C47B C48 C47A 45.3(9) .
C47B C48 H48A 154.8 .
C47A C48 H48A 109.5 .
C47B C48 H48B 83.5 .
C47A C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C47B C48 H48C 84.9 .
C47A C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
C47B C48 H48D 109.5 .
C47A C48 H48D 154.7 .
H48A C48 H48D 95.8 .
H48B C48 H48D 60.8 .
H48C C48 H48D 58.9 .
C47B C48 H48E 109.5 .
C47A C48 H48E 83.3 .
H48A C48 H48E 60.2 .
H48B C48 H48E 166.4 .
H48C C48 H48E 69.0 .
H48D C48 H48E 109.5 .
C47B C48 H48F 109.5 .
C47A C48 H48F 85.2 .
H48A C48 H48F 59.4 .
H48B C48 H48F 68.2 .
H48C C48 H48F 164.6 .
H48D C48 H48F 109.5 .
H48E C48 H48F 109.5 .
C5 N1 C1 116.5(5) .
C5 N1 Ag1 120.8(4) .
C1 N1 Ag1 122.5(4) .
C12 N2 C13 118.2(5) .
C12 N2 Ag2 121.3(4) .
C13 N2 Ag2 119.9(4) .
C15 N3 C19 118.1(5) .
C15 N3 Ag2 121.0(4) .
C19 N3 Ag2 120.8(4) .
C27 N4 C26 117.8(5) .
C27 N4 Ag3 121.9(4) .
C26 N4 Ag3 120.4(4) .
C33 N5 C29 117.5(5) .
C33 N5 Ag3 120.1(4) .
C29 N5 Ag3 122.0(4) .
C41 N6 C40 116.9(6) .
C41 N6 Ag4 122.9(4) .
C40 N6 Ag4 119.9(5) .
N1 C1 C2 123.2(5) .
N1 C1 H1A 118.4 .
C2 C1 H1A 118.4 .
C1 C2 C3 120.9(5) .
C1 C2 H2A 119.6 .
C3 C2 H2A 119.6 .
C2 C3 C4 115.0(5) .
C2 C3 Si1 123.2(4) .
C4 C3 Si1 121.7(4) .
C5 C4 C3 121.2(5) .
C5 C4 H4A 119.4 .
C3 C4 H4A 119.4 .
N1 C5 C4 123.1(5) .
N1 C5 H5A 118.5 .
C4 C5 H5A 118.5 .
C7 C6 Si1 117.4(4) .
C7 C6 H6A 108.0 .
Si1 C6 H6A 108.0 .
C7 C6 H6B 108.0 .
Si1 C6 H6B 108.0 .
H6A C6 H6B 107.2 .
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 118.0(4) .
C9 C8 H8A 107.8 .
Si1 C8 H8A 107.8 .
C9 C8 H8B 107.8 .
Si1 C8 H8B 107.8 .
H8A C8 H8B 107.2 .
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 .
C11 C10 C14 115.8(5) .
C11 C10 Si1 124.1(4) .
C14 C10 Si1 120.1(4) .
C10 C11 C12 119.8(6) .
C10 C11 H11A 120.1 .
C12 C11 H11A 120.1 .
N2 C12 C11 122.8(6) .
N2 C12 H12A 118.6 .
C11 C12 H12A 118.6 .
N2 C13 C14 122.0(6) .
N2 C13 H13A 119.0 .
C14 C13 H13A 119.0 .
C13 C14 C10 121.4(6) .
C13 C14 H14A 119.3 .
C10 C14 H14A 119.3 .
N3 C15 C16 123.0(5) .
N3 C15 H15A 118.5 .
C16 C15 H15A 118.5 .
C17 C16 C15 119.8(5) .
C17 C16 H16A 120.1 .
C15 C16 H16A 120.1 .
C16 C17 C18 115.8(5) .
C16 C17 Si2 123.0(4) .
C18 C17 Si2 120.9(4) .
C19 C18 C17 121.5(5) .
C19 C18 H18A 119.2 .
C17 C18 H18A 119.2 .
N3 C19 C18 121.7(5) .
N3 C19 H19A 119.2 .
C18 C19 H19A 119.2 .
C21A C20A Si2 127.5(16) .
C21A C20A H20A 105.4 .
Si2 C20A H20A 105.4 .
C21A C20A H20B 105.4 .
Si2 C20A H20B 105.4 .
H20A C20A H20B 106.0 .
C20A C21A H21A 109.5 .
C20A C21A H21B 109.5 .
H21A C21A H21B 109.5 .
C20A C21A H21C 109.5 .
H21A C21A H21C 109.5 .
H21B C21A H21C 109.5 .
C23 C22A Si2 123.2(7) .
C23 C22A H22A 106.5 .
Si2 C22A H22A 106.5 .
C23 C22A H22B 106.5 .
Si2 C22A H22B 106.5 .
H22A C22A H22B 106.5 .
C21B C20B Si2 107.7(10) .
C21B C20B H20C 110.2 .
Si2 C20B H20C 110.2 .
C21B C20B H20D 110.2 .
Si2 C20B H20D 110.2 .
H20C C20B H20D 108.5 .
C20B C21B H21D 109.5 .
C20B C21B H21E 109.5 .
H21D C21B H21E 109.5 .
C20B C21B H21F 109.5 .
H21D C21B H21F 109.5 .
H21E C21B H21F 109.5 .
C23 C22B Si2 122.9(7) .
C23 C22B H22C 106.6 .
Si2 C22B H22C 106.6 .
C23 C22B H22D 106.6 .
Si2 C22B H22D 106.6 .
H22C C22B H22D 106.6 .
C22A C23 C22B 22.6(9) .
C22A C23 H23A 109.5 .
C22B C23 H23A 102.7 .
C22A C23 H23B 109.5 .
C22B C23 H23B 92.7 .
H23A C23 H23B 109.5 .
C22A C23 H23C 109.5 .
C22B C23 H23C 131.0 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22A C23 H23D 108.5 .
C22B C23 H23D 109.5 .
H23A C23 H23D 19.3 .
H23B C23 H23D 125.6 .
H23C C23 H23D 92.5 .
C22A C23 H23E 128.0 .
C22B C23 H23E 109.5 .
H23A C23 H23E 96.0 .
H23B C23 H23E 19.1 .
H23C C23 H23E 102.9 .
H23D C23 H23E 109.5 .
C22A C23 H23F 89.4 .
C22B C23 H23F 109.5 .
H23A C23 H23F 128.2 .
H23B C23 H23F 108.3 .
H23C C23 H23F 22.6 .
H23D C23 H23F 109.5 .
H23E C23 H23F 109.5 .
C28 C24 C25 115.9(5) .
C28 C24 Si2 121.5(4) .
C25 C24 Si2 122.5(4) .
C26 C25 C24 120.5(6) .
C26 C25 H25A 119.7 .
C24 C25 H25A 119.7 .
N4 C26 C25 122.8(6) .
N4 C26 H26A 118.6 .
C25 C26 H26A 118.6 .
N4 C27 C28 122.4(6) .
N4 C27 H27A 118.8 .
C28 C27 H27A 118.8 .
C27 C28 C24 120.5(6) .
C27 C28 H28A 119.7 .
C24 C28 H28A 119.7 .
N5 C29 C30 122.4(6) .
N5 C29 H29A 118.8 .
C30 C29 H29A 118.8 .
C29 C30 C31 121.1(6) .
C29 C30 H30A 119.4 .
C31 C30 H30A 119.4 .
C30 C31 C32 115.8(5) .
C30 C31 Si3 123.7(4) .
C32 C31 Si3 120.3(4) .
C33 C32 C31 120.1(6) .
C33 C32 H32A 119.9 .
C31 C32 H32A 119.9 .
N5 C33 C32 123.0(6) .
N5 C33 H33A 118.5 .
C32 C33 H33A 118.5 .
C35 C34 Si3 114.7(5) .
C35 C34 H34A 108.6 .
Si3 C34 H34A 108.6 .
C35 C34 H34B 108.6 .
Si3 C34 H34B 108.6 .
H34A C34 H34B 107.6 .
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 114.9(5) .
C37 C36 H36A 108.5 .
Si3 C36 H36A 108.5 .
C37 C36 H36B 108.5 .
Si3 C36 H36B 108.5 .
H36A C36 H36B 107.5 .
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 .
C39 C38 C42 115.3(5) .
C39 C38 Si3 121.2(5) .
C42 C38 Si3 123.1(4) .
C40 C39 C38 120.8(6) .
C40 C39 H39A 119.6 .
C38 C39 H39A 119.6 .
N6 C40 C39 123.2(7) .
N6 C40 H40A 118.4 .
C39 C40 H40A 118.4 .
N6 C41 C42 122.7(6) .
N6 C41 H41A 118.7 .
C42 C41 H41A 118.7 .
C41 C42 C38 120.9(6) .
C41 C42 H42A 119.6 .
C38 C42 H42A 119.6 .
F1 C43 F2 106.8(6) .
F1 C43 F3 107.5(7) .
F2 C43 F3 108.0(6) .
F1 C43 S1 112.4(5) .
F2 C43 S1 110.7(5) .
F3 C43 S1 111.2(5) .
F6A C44 F5B 69.6(12) .
F6A C44 F4B 97.6(13) .
F5B C44 F4B 122.3(17) .
F6A C44 F4A 112.3(12) .
F5B C44 F4A 106.8(14) .
F4B C44 F4A 25.3(10) .
F6A C44 F6B 28.6(9) .
F5B C44 F6B 98.2(13) .
F4B C44 F6B 83.7(14) .
F4A C44 F6B 106.2(13) .
F6A C44 F5A 98.4(11) .
F5B C44 F5A 29.1(10) .
F4B C44 F5A 115.5(13) .
F4A C44 F5A 92.3(10) .
F6B C44 F5A 127.0(11) .
F6A C44 S2 121.0(11) .
F5B C44 S2 122.6(12) .
F4B C44 S2 112.3(12) .
F4A C44 S2 115.9(8) .
F6B C44 S2 104.3(11) .
F5A C44 S2 111.2(7) .
F8 C45 F9 106.9(6) .
F8 C45 F7 103.9(7) .
F9 C45 F7 110.8(8) .
F8 C45 S3 112.6(6) .
F9 C45 S3 111.1(6) .
F7 C45 S3 111.2(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.163(5) .
Ag1 N1 2.163(5) 2_755
Ag2 N3 2.186(5) .
Ag2 N2 2.188(5) .
Ag3 N5 2.136(5) .
Ag3 N4 2.148(5) .
Ag4 N6 2.125(5) .
Ag4 N6 2.125(5) 2_455
Si1 C8 1.874(6) .
Si1 C6 1.876(5) .
Si1 C10 1.888(5) .
Si1 C3 1.891(5) .
Si2 C20B 1.8000(15) .
Si2 C22A 1.800(2) .
Si2 C20A 1.801(2) .
Si2 C22B 1.804(2) .
Si2 C17 1.872(6) .
Si2 C24 1.885(6) .
Si3 C34 1.856(6) .
Si3 C38 1.868(6) .
Si3 C36 1.877(6) .
Si3 C31 1.893(5) .
S1 O2 1.421(4) .
S1 O1 1.432(5) .
S1 O3 1.436(5) .
S1 C43 1.808(7) .
S2 O6 1.416(6) .
S2 O5 1.429(5) .
S2 O4 1.429(6) .
S2 C44 1.738(9) .
S3 O7 1.417(5) .
S3 O9 1.417(5) .
S3 O8 1.434(6) .
S3 C45 1.814(7) .
F1 C43 1.305(8) .
F2 C43 1.323(9) .
F3 C43 1.330(9) .
F4A C44 1.389(2) .
F5A C44 1.458(18) .
F6A C44 1.387(2) .
F4B C44 1.389(2) .
F5B C44 1.388(2) .
F6B C44 1.390(3) .
F7 C45 1.323(9) .
F8 C45 1.311(10) .
F9 C45 1.314(10) .
O10 C46A 1.390(2) .
O10 C46B 1.393(3) .
O10 H10 0.8400 .
C46A C47A 1.430(2) .
C46A H46A 0.9900 .
C46A H46B 0.9900 .
C47A C48 1.432(2) .
C47A H47A 0.9900 .
C47A H47B 0.9900 .
C46B C47B 1.431(2) .
C46B H46C 0.9900 .
C46B H46D 0.9900 .
C47B C48 1.4298(15) .
C47B H47C 0.9900 .
C47B H47D 0.9900 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C48 H48D 0.9800 .
C48 H48E 0.9800 .
C48 H48F 0.9800 .
N1 C5 1.346(7) .
N1 C1 1.346(7) .
N2 C12 1.329(9) .
N2 C13 1.329(9) .
N3 C15 1.328(8) .
N3 C19 1.348(8) .
N4 C27 1.326(8) .
N4 C26 1.331(8) .
N5 C33 1.334(8) .
N5 C29 1.335(8) .
N6 C41 1.340(8) .
N6 C40 1.346(9) .
C1 C2 1.380(8) .
C1 H1A 0.9500 .
C2 C3 1.389(8) .
C2 H2A 0.9500 .
C3 C4 1.406(8) .
C4 C5 1.365(8) .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C6 C7 1.455(2) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.454(2) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.385(8) .
C10 C14 1.394(8) .
C11 C12 1.401(9) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.379(8) .
C13 H13A 0.9500 .
C14 H14A 0.9500 .
C15 C16 1.395(8) .
C15 H15A 0.9500 .
C16 C17 1.394(8) .
C16 H16A 0.9500 .
C17 C18 1.397(8) .
C18 C19 1.374(8) .
C18 H18A 0.9500 .
C19 H19A 0.9500 .
C20A C21A 1.451(2) .
C20A H20A 0.9900 .
C20A H20B 0.9900 .
C21A H21A 0.9800 .
C21A H21B 0.9800 .
C21A H21C 0.9800 .
C22A C23 1.4495(15) .
C22A H22A 0.9900 .
C22A H22B 0.9900 .
C20B C21B 1.4497(15) .
C20B H20C 0.9900 .
C20B H20D 0.9900 .
C21B H21D 0.9800 .
C21B H21E 0.9800 .
C21B H21F 0.9800 .
C22B C23 1.450(2) .
C22B H22C 0.9900 .
C22B H22D 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C23 H23D 0.9800 .
C23 H23E 0.9800 .
C23 H23F 0.9800 .
C24 C28 1.384(8) .
C24 C25 1.385(8) .
C25 C26 1.372(8) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
C27 C28 1.384(9) .
C27 H27A 0.9500 .
C28 H28A 0.9500 .
C29 C30 1.378(8) .
C29 H29A 0.9500 .
C30 C31 1.386(8) .
C30 H30A 0.9500 .
C31 C32 1.394(8) .
C32 C33 1.382(8) .
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 1.453(2) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C39 1.394(9) .
C38 C42 1.400(8) .
C39 C40 1.367(10) .
C39 H39A 0.9500 .
C40 H40A 0.9500 .
C41 C42 1.375(8) .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
