#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:54:16 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179083 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/45/4304522.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_4304522
loop_
_publ_author_name
'Mei-Li Chen'
'Xue-Fei Xu'
'Ze-Xing Cao'
'Quan-Ming Wang'
_publ_section_title
;
Ligand- and Anion-Controlled Formation of Silver Alkynyl Oligomers from
Soluble Precursors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1877
_journal_page_last               1879
_journal_paper_doi               10.1021/ic702023e
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C88 H88 Ag8 F12 N12 O14 S4'
_chemical_formula_weight         2756.90
_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                93.675(5)
_cell_angle_beta                 110.905(4)
_cell_angle_gamma                92.933(5)
_cell_formula_units_Z            1
_cell_length_a                   12.6079(6)
_cell_length_b                   14.4851(10)
_cell_length_c                   14.5796(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2474.4(2)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0952
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20943
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.17
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.721
_exptl_absorpt_correction_T_max  0.7247
_exptl_absorpt_correction_T_min  0.5608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.551
_refine_diff_density_min         -1.578
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         11274
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0640
_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)+(0.1327P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1868
_refine_ls_wR_factor_ref         0.2244
_reflns_number_gt                5737
_reflns_number_total             11274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702023e-file003_4.cif
_cod_data_source_block           4
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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_database_code               4304522
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.92042(5) 1.57053(4) 0.38758(5) 0.0480(2) Uani 1 1 d . . .
Ag2 Ag 0.79613(5) 1.45607(5) 0.17916(5) 0.0557(2) Uani 1 1 d . . .
Ag3 Ag 0.90413(5) 1.37544(5) 0.39192(5) 0.0532(2) Uani 1 1 d . . .
Ag4 Ag 1.02444(8) 1.22757(6) 0.53219(6) 0.0806(3) Uani 1 1 d . . .
N1 N 0.9620(6) 1.4540(5) 0.1442(5) 0.0481(16) Uani 1 1 d . . .
N2 N 0.7590(6) 1.3600(5) 0.0376(5) 0.0592(19) Uani 1 1 d . . .
N3 N 1.0779(5) 1.3533(5) 0.3634(5) 0.0500(16) Uani 1 1 d . . .
N4 N 0.8750(5) 1.2502(4) 0.2722(5) 0.0471(15) Uani 1 1 d . . .
N5 N 1.2028(6) 1.1879(5) 0.5462(5) 0.0571(18) Uani 1 1 d . . .
N6 N 1.0035(7) 1.0910(5) 0.4354(6) 0.0595(19) Uani 1 1 d . . .
C1 C 0.7723(6) 1.4791(5) 0.3271(6) 0.0449(18) Uani 1 1 d . . .
C2 C 0.6719(6) 1.4687(6) 0.2775(6) 0.0476(19) Uani 1 1 d . . .
C3 C 0.5455(6) 1.4566(7) 0.2322(6) 0.061(2) Uani 1 1 d . . .
C4 C 0.5049(9) 1.3550(10) 0.2142(12) 0.120(6) Uani 1 1 d . . .
H4A H 0.4233 1.3485 0.1856 0.179 Uiso 1 1 calc R . .
H4B H 0.5298 1.3271 0.2756 0.179 Uiso 1 1 calc R . .
H4C H 0.5359 1.3248 0.1699 0.179 Uiso 1 1 calc R . .
C5 C 0.4995(8) 1.5055(11) 0.3002(12) 0.124(6) Uani 1 1 d . . .
H5A H 0.4178 1.4982 0.2732 0.186 Uiso 1 1 calc R . .
H5B H 0.5245 1.5703 0.3088 0.186 Uiso 1 1 calc R . .
H5C H 0.5264 1.4798 0.3628 0.186 Uiso 1 1 calc R . .
C6 C 0.5077(8) 1.5024(10) 0.1353(9) 0.105(5) Uani 1 1 d . . .
H6A H 0.4261 1.4950 0.1052 0.158 Uiso 1 1 calc R . .
H6B H 0.5406 1.4736 0.0918 0.158 Uiso 1 1 calc R . .
H6C H 0.5325 1.5673 0.1481 0.158 Uiso 1 1 calc R . .
C7 C 0.9315(7) 1.3435(6) 0.5550(5) 0.051(2) Uani 1 1 d . . .
C8 C 0.8398(6) 1.3067(5) 0.5492(5) 0.0403(16) Uani 1 1 d . . .
C9 C 0.7303(7) 1.2701(7) 0.5506(7) 0.069(3) Uani 1 1 d . . .
C10 C 0.7469(10) 1.2393(9) 0.6528(9) 0.091(3) Uani 1 1 d . . .
H10A H 0.7720 1.2922 0.7006 0.136 Uiso 1 1 calc R . .
H10B H 0.8030 1.1947 0.6691 0.136 Uiso 1 1 calc R . .
H10C H 0.6760 1.2117 0.6528 0.136 Uiso 1 1 calc R . .
C11 C 0.6868(10) 1.1868(10) 0.4734(9) 0.112(5) Uani 1 1 d . . .
H11A H 0.7397 1.1397 0.4903 0.168 Uiso 1 1 calc R . .
H11B H 0.6797 1.2061 0.4098 0.168 Uiso 1 1 calc R . .
H11C H 0.6138 1.1624 0.4717 0.168 Uiso 1 1 calc R . .
C12 C 0.6479(8) 1.3502(10) 0.5294(10) 0.102(4) Uani 1 1 d . . .
H12A H 0.6797 1.4009 0.5793 0.152 Uiso 1 1 calc R . .
H12B H 0.5753 1.3277 0.5301 0.152 Uiso 1 1 calc R . .
H12C H 0.6385 1.3711 0.4660 0.152 Uiso 1 1 calc R . .
C13 C 1.0563(7) 1.5071(5) 0.1922(7) 0.053(2) Uani 1 1 d . . .
H13A H 1.0567 1.5496 0.2429 0.064 Uiso 1 1 calc R . .
C14 C 1.1530(7) 1.5030(8) 0.1714(7) 0.064(3) Uani 1 1 d . . .
H14A H 1.2194 1.5384 0.2101 0.077 Uiso 1 1 calc R . .
C15 C 1.1503(8) 1.4464(7) 0.0931(8) 0.065(3) Uani 1 1 d . . .
H15A H 1.2132 1.4462 0.0740 0.078 Uiso 1 1 calc R . .
C16 C 1.0543(8) 1.3893(7) 0.0420(7) 0.064(3) Uani 1 1 d . . .
H16A H 1.0533 1.3468 -0.0090 0.076 Uiso 1 1 calc R . .
C17 C 0.9567(7) 1.3960(5) 0.0682(5) 0.0460(18) Uani 1 1 d . . .
C18 C 0.8492(8) 1.3416(5) 0.0140(6) 0.0475(19) Uani 1 1 d . . .
C19 C 0.8408(11) 1.2695(8) -0.0593(8) 0.082(3) Uani 1 1 d . . .
H19A H 0.9042 1.2519 -0.0725 0.099 Uiso 1 1 calc R . .
C20 C 0.7327(15) 1.2267(7) -0.1103(9) 0.108(5) Uani 1 1 d . . .
H20A H 0.7230 1.1840 -0.1636 0.130 Uiso 1 1 calc R . .
C21 C 0.6436(13) 1.2431(10) -0.0876(8) 0.103(5) Uani 1 1 d . . .
H21A H 0.5739 1.2091 -0.1188 0.124 Uiso 1 1 calc R . .
C22 C 0.6587(9) 1.3139(8) -0.0144(8) 0.077(3) Uani 1 1 d . . .
H22A H 0.5952 1.3302 -0.0008 0.093 Uiso 1 1 calc R . .
C23 C 1.1772(7) 1.4006(7) 0.4152(7) 0.059(2) Uani 1 1 d . . .
H23A H 1.1770 1.4522 0.4564 0.071 Uiso 1 1 calc R . .
C24 C 1.2803(8) 1.3772(7) 0.4110(7) 0.062(2) Uani 1 1 d . . .
H24A H 1.3478 1.4125 0.4473 0.074 Uiso 1 1 calc R . .
C25 C 1.2787(8) 1.2986(8) 0.3503(8) 0.071(3) Uani 1 1 d . . .
H25A H 1.3461 1.2789 0.3464 0.085 Uiso 1 1 calc R . .
C26 C 1.1783(9) 1.2516(7) 0.2973(8) 0.067(3) Uani 1 1 d . . .
H26A H 1.1763 1.1998 0.2555 0.081 Uiso 1 1 calc R . .
C27 C 1.0766(7) 1.2797(6) 0.3044(6) 0.0487(19) Uani 1 1 d . . .
C28 C 0.9648(8) 1.2289(6) 0.2460(6) 0.053(2) Uani 1 1 d . . .
C29 C 0.9535(10) 1.1630(6) 0.1681(7) 0.066(3) Uani 1 1 d . . .
H29A H 1.0156 1.1507 0.1503 0.079 Uiso 1 1 calc R . .
C30 C 0.8471(12) 1.1161(7) 0.1176(9) 0.089(4) Uani 1 1 d . . .
H30A H 0.8365 1.0701 0.0670 0.107 Uiso 1 1 calc R . .
C31 C 0.7607(9) 1.1400(7) 0.1449(7) 0.068(3) Uani 1 1 d . . .
H31A H 0.6882 1.1116 0.1101 0.081 Uiso 1 1 calc R . .
C32 C 0.7745(9) 1.2039(6) 0.2212(7) 0.060(2) Uani 1 1 d . . .
H32A H 0.7121 1.2159 0.2385 0.072 Uiso 1 1 calc R . .
C33 C 1.2962(10) 1.2293(8) 0.6084(8) 0.080(3) Uani 1 1 d . . .
H33A H 1.2913 1.2811 0.6473 0.097 Uiso 1 1 calc R . .
C34 C 1.4019(11) 1.2014(9) 0.6202(10) 0.089(3) Uani 1 1 d . . .
H34A H 1.4666 1.2334 0.6665 0.106 Uiso 1 1 calc R . .
C35 C 1.4114(9) 1.1261(11) 0.5635(12) 0.105(4) Uani 1 1 d . . .
H35A H 1.4821 1.1059 0.5691 0.126 Uiso 1 1 calc R . .
C36 C 1.3104(9) 1.0805(7) 0.4963(9) 0.075(3) Uani 1 1 d . . .
H36A H 1.3140 1.0289 0.4565 0.090 Uiso 1 1 calc R . .
C37 C 1.2075(8) 1.1101(6) 0.4883(6) 0.056(2) Uani 1 1 d . . .
C38 C 1.0988(8) 1.0635(6) 0.4222(7) 0.059(2) Uani 1 1 d . . .
C39 C 1.0943(9) 0.9937(7) 0.3534(7) 0.066(3) Uani 1 1 d . . .
H39A H 1.1592 0.9797 0.3409 0.079 Uiso 1 1 calc R . .
C40 C 0.9926(12) 0.9453(8) 0.3035(9) 0.090(3) Uani 1 1 d . . .
H40A H 0.9893 0.8921 0.2630 0.108 Uiso 1 1 calc R . .
C41 C 0.8978(11) 0.9734(8) 0.3124(8) 0.082(3) Uani 1 1 d . . .
H41A H 0.8272 0.9447 0.2725 0.099 Uiso 1 1 calc R . .
C42 C 0.9050(8) 1.0454(7) 0.3810(7) 0.061(2) Uani 1 1 d . . .
H42A H 0.8388 1.0626 0.3894 0.073 Uiso 1 1 calc R . .
S1 S 0.6325(2) 0.9506(2) 0.7506(2) 0.0794(8) Uiso 1 1 d D . .
O1 O 0.5807(8) 0.8769(7) 0.6774(7) 0.134(3) Uiso 1 1 d D . .
O2 O 0.6403(7) 1.0369(6) 0.7139(7) 0.111(3) Uiso 1 1 d D . .
O3 O 0.7377(8) 0.9253(9) 0.8204(9) 0.169(5) Uiso 1 1 d D . .
C43 C 0.5322(13) 0.9618(11) 0.8137(12) 0.110(4) Uiso 1 1 d . . .
F1 F 0.5141(8) 0.8850(7) 0.8502(8) 0.144(3) Uiso 1 1 d . . .
F2 F 0.5776(11) 1.0197(11) 0.8902(12) 0.214(5) Uiso 1 1 d . . .
F3 F 0.4343(10) 0.9828(9) 0.7476(10) 0.186(4) Uiso 1 1 d . . .
S2 S 0.8146(3) 1.7079(2) 0.1475(3) 0.0596(8) Uiso 0.70 1 d PD A 1
O4 O 0.8273(8) 1.7255(7) 0.2474(6) 0.080(3) Uiso 0.70 1 d PD A 1
O5 O 0.7816(8) 1.6146(5) 0.1022(8) 0.071(3) Uiso 0.70 1 d PD A 1
O6 O 0.9122(8) 1.7472(8) 0.1343(10) 0.101(4) Uiso 0.70 1 d PD A 1
C44 C 0.7091(10) 1.7803(6) 0.0664(8) 0.136(6) Uiso 0.70 1 d PD A 1
F4 F 0.6186(13) 1.7450(13) 0.0867(15) 0.189(6) Uiso 0.70 1 d PD A 1
F5 F 0.7084(15) 1.7625(12) -0.0229(11) 0.172(6) Uiso 0.70 1 d PD A 1
F6 F 0.7435(10) 1.8696(7) 0.0917(9) 0.113(3) Uiso 0.70 1 d PD A 1
S2' S 0.7468(7) 1.6898(5) 0.1374(6) 0.0622(19) Uiso 0.30 1 d PDU B 2
O4' O 0.8645(12) 1.7124(19) 0.1923(18) 0.136(13) Uiso 0.30 1 d PDU B 2
O5' O 0.7207(16) 1.6093(9) 0.0699(12) 0.054(5) Uiso 0.30 1 d PDU B 2
O6' O 0.672(2) 1.698(2) 0.1921(19) 0.21(2) Uiso 0.30 1 d PDU B 2
C44' C 0.7091(10) 1.7803(6) 0.0664(8) 0.136(6) Uiso 0.30 1 d PD B 2
F4' F 0.801(4) 1.790(4) 0.041(5) 0.27(3) Uiso 0.30 1 d PD B 2
F5' F 0.6128(12) 1.7672(14) -0.0033(12) 0.076(5) Uiso 0.30 1 d PD B 2
F6' F 0.6984(15) 1.8543(11) 0.1192(12) 0.064(4) Uiso 0.30 1 d PD B 2
O1W O 0.9160(14) 0.9008(13) 0.9894(15) 0.109(5) Uiso 0.50 1 d P . .
O2W O 0.944(5) 1.044(5) 0.926(5) 0.45(4) Uiso 0.50 1 d P . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Ag1 C1 177.9(3) 2_786 . ?
C7 Ag1 Ag3 125.7(2) 2_786 . ?
C1 Ag1 Ag3 52.7(2) . . ?
C7 Ag1 Ag4 45.7(2) 2_786 2_786 ?
C1 Ag1 Ag4 136.3(2) . 2_786 ?
Ag3 Ag1 Ag4 157.73(3) . 2_786 ?
C7 Ag1 Ag2 132.7(2) 2_786 . ?
C1 Ag1 Ag2 45.9(2) . . ?
Ag3 Ag1 Ag2 64.76(2) . . ?
Ag4 Ag1 Ag2 137.41(3) 2_786 . ?
C7 Ag1 Ag3 47.3(2) 2_786 2_786 ?
C1 Ag1 Ag3 133.2(2) . 2_786 ?
Ag3 Ag1 Ag3 98.69(3) . 2_786 ?
Ag4 Ag1 Ag3 60.05(2) 2_786 2_786 ?
Ag2 Ag1 Ag3 160.17(3) . 2_786 ?
C1 Ag2 N2 147.0(3) . . ?
C1 Ag2 N1 130.1(2) . . ?
N2 Ag2 N1 71.8(3) . . ?
C1 Ag2 C2 29.0(2) . . ?
N2 Ag2 C2 126.0(3) . . ?
N1 Ag2 C2 159.1(2) . . ?
C1 Ag2 Ag1 41.42(19) . . ?
N2 Ag2 Ag1 163.2(2) . . ?
N1 Ag2 Ag1 93.25(16) . . ?
C2 Ag2 Ag1 67.38(18) . . ?
C1 Ag2 Ag3 45.0(2) . . ?
N2 Ag2 Ag3 119.85(17) . . ?
N1 Ag2 Ag3 95.12(16) . . ?
C2 Ag2 Ag3 67.21(19) . . ?
Ag1 Ag2 Ag3 52.33(2) . . ?
C1 Ag3 N4 108.3(2) . . ?
C1 Ag3 C7 115.4(3) . . ?
N4 Ag3 C7 118.7(3) . . ?
C1 Ag3 N3 128.4(3) . . ?
N4 Ag3 N3 70.1(2) . . ?
C7 Ag3 N3 108.5(3) . . ?
C1 Ag3 Ag1 47.21(19) . . ?
N4 Ag3 Ag1 133.59(17) . . ?
C7 Ag3 Ag1 107.7(2) . . ?
N3 Ag3 Ag1 94.95(17) . . ?
C1 Ag3 Ag4 157.0(2) . . ?
N4 Ag3 Ag4 81.62(17) . . ?
C7 Ag3 Ag4 44.0(2) . . ?
N3 Ag3 Ag4 74.29(16) . . ?
Ag1 Ag3 Ag4 137.97(3) . . ?
C1 Ag3 Ag1 116.36(18) . 2_786 ?
N4 Ag3 Ag1 135.32(17) . 2_786 ?
C7 Ag3 Ag1 40.0(2) . 2_786 ?
N3 Ag3 Ag1 81.73(17) . 2_786 ?
Ag1 Ag3 Ag1 81.31(3) . 2_786 ?
Ag4 Ag3 Ag1 57.20(2) . 2_786 ?
C1 Ag3 Ag2 45.05(19) . . ?
N4 Ag3 Ag2 73.15(17) . . ?
C7 Ag3 Ag2 160.2(2) . . ?
N3 Ag3 Ag2 90.21(16) . . ?
Ag1 Ag3 Ag2 62.91(2) . . ?
Ag4 Ag3 Ag2 153.78(3) . . ?
Ag1 Ag3 Ag2 142.54(3) 2_786 . ?
C7 Ag4 N5 142.6(3) . . ?
C7 Ag4 N6 142.1(3) . . ?
N5 Ag4 N6 72.3(3) . . ?
C7 Ag4 Ag1 42.9(2) . 2_786 ?
N5 Ag4 Ag1 99.77(19) . 2_786 ?
N6 Ag4 Ag1 162.2(2) . 2_786 ?
C7 Ag4 Ag3 49.0(2) . . ?
N5 Ag4 Ag3 121.16(18) . . ?
N6 Ag4 Ag3 106.97(18) . . ?
Ag1 Ag4 Ag3 62.75(2) 2_786 . ?
C17 N1 C13 119.7(7) . . ?
C17 N1 Ag2 115.5(5) . . ?
C13 N1 Ag2 124.8(5) . . ?
C22 N2 C18 118.5(8) . . ?
C22 N2 Ag2 125.1(7) . . ?
C18 N2 Ag2 115.9(5) . . ?
C23 N3 C27 119.0(7) . . ?
C23 N3 Ag3 123.7(5) . . ?
C27 N3 Ag3 116.2(5) . . ?
C32 N4 C28 117.1(7) . . ?
C32 N4 Ag3 125.0(6) . . ?
C28 N4 Ag3 117.6(5) . . ?
C33 N5 C37 119.3(9) . . ?
C33 N5 Ag4 124.3(7) . . ?
C37 N5 Ag4 116.2(6) . . ?
C42 N6 C38 117.6(8) . . ?
C42 N6 Ag4 125.3(6) . . ?
C38 N6 Ag4 116.3(6) . . ?
C2 C1 Ag1 147.6(7) . . ?
C2 C1 Ag3 132.0(7) . . ?
Ag1 C1 Ag3 80.1(3) . . ?
C2 C1 Ag2 84.2(5) . . ?
Ag1 C1 Ag2 92.7(3) . . ?
Ag3 C1 Ag2 90.0(3) . . ?
C1 C2 C3 170.6(9) . . ?
C1 C2 Ag2 66.7(5) . . ?
C3 C2 Ag2 122.6(6) . . ?
C5 C3 C2 107.7(8) . . ?
C5 C3 C4 111.0(10) . . ?
C2 C3 C4 110.6(8) . . ?
C5 C3 C6 108.5(10) . . ?
C2 C3 C6 108.6(7) . . ?
C4 C3 C6 110.4(10) . . ?
C8 C7 Ag1 157.9(6) . 2_786 ?
C8 C7 Ag4 103.6(7) . . ?
Ag1 C7 Ag4 91.4(3) 2_786 . ?
C8 C7 Ag3 104.0(5) . . ?
Ag1 C7 Ag3 92.7(3) 2_786 . ?
Ag4 C7 Ag3 87.1(3) . . ?
C7 C8 C9 173.9(9) . . ?
C8 C9 C10 109.2(8) . . ?
C8 C9 C11 107.9(9) . . ?
C10 C9 C11 109.9(9) . . ?
C8 C9 C12 108.0(8) . . ?
C10 C9 C12 108.9(10) . . ?
C11 C9 C12 112.9(9) . . ?
N1 C13 C14 123.5(8) . . ?
C13 C14 C15 118.5(9) . . ?
C14 C15 C16 119.7(8) . . ?
C15 C16 C17 118.9(9) . . ?
N1 C17 C16 119.5(8) . . ?
N1 C17 C18 118.2(7) . . ?
C16 C17 C18 122.4(7) . . ?
N2 C18 C19 120.7(9) . . ?
N2 C18 C17 117.8(6) . . ?
C19 C18 C17 121.5(9) . . ?
C20 C19 C18 116.2(11) . . ?
C21 C20 C19 123.6(11) . . ?
C20 C21 C22 116.5(11) . . ?
N2 C22 C21 124.0(12) . . ?
N3 C23 C24 123.7(8) . . ?
C23 C24 C25 117.1(9) . . ?
C26 C25 C24 119.0(8) . . ?
C25 C26 C27 120.9(9) . . ?
N3 C27 C26 120.3(8) . . ?
N3 C27 C28 118.2(7) . . ?
C26 C27 C28 121.6(8) . . ?
N4 C28 C29 122.2(9) . . ?
N4 C28 C27 116.6(7) . . ?
C29 C28 C27 121.2(8) . . ?
C30 C29 C28 118.5(9) . . ?
C31 C30 C29 117.4(9) . . ?
C30 C31 C32 122.6(10) . . ?
N4 C32 C31 122.1(9) . . ?
N5 C33 C34 123.8(11) . . ?
C35 C34 C33 119.3(12) . . ?
C34 C35 C36 117.2(11) . . ?
C37 C36 C35 121.3(11) . . ?
C36 C37 N5 119.1(9) . . ?
C36 C37 C38 123.9(9) . . ?
N5 C37 C38 117.0(8) . . ?
C39 C38 N6 121.9(9) . . ?
C39 C38 C37 121.4(9) . . ?
N6 C38 C37 116.7(8) . . ?
C38 C39 C40 118.3(10) . . ?
C41 C40 C39 120.3(10) . . ?
C40 C41 C42 119.3(11) . . ?
N6 C42 C41 121.9(10) . . ?
O2 S1 O1 114.5(7) . . ?
O2 S1 O3 114.4(7) . . ?
O1 S1 O3 110.6(7) . . ?
O2 S1 C43 105.3(7) . . ?
O1 S1 C43 103.2(7) . . ?
O3 S1 C43 107.8(8) . . ?
F2 C43 F1 103.5(16) . . ?
F2 C43 F3 116.5(16) . . ?
F1 C43 F3 108.7(13) . . ?
F2 C43 S1 108.6(12) . . ?
F1 C43 S1 112.4(11) . . ?
F3 C43 S1 107.2(12) . . ?
O6 S2 O4 108.7(7) . . ?
O6 S2 O5 112.9(7) . . ?
O4 S2 O5 118.4(6) . . ?
O6 S2 C44 97.8(7) . . ?
O4 S2 C44 111.9(6) . . ?
O5 S2 C44 105.2(6) . . ?
F5 C44 F6 106.6(12) . . ?
F5 C44 F4 117.6(14) . . ?
F6 C44 F4 118.7(14) . . ?
F5 C44 S2 107.0(11) . . ?
F6 C44 S2 109.9(8) . . ?
F4 C44 S2 95.9(10) . . ?
O4' S2' O5' 115.4(11) . . ?
O4' S2' O6' 115.7(11) . . ?
O5' S2' O6' 114.2(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C7 2.062(9) 2_786 ?
Ag1 C1 2.108(8) . ?
Ag1 Ag3 2.8293(10) . ?
Ag1 Ag4 3.0294(11) 2_786 ?
Ag1 Ag2 3.1825(9) . ?
Ag1 Ag3 3.2042(9) 2_786 ?
Ag2 C1 2.288(8) . ?
Ag2 N2 2.300(8) . ?
Ag2 N1 2.324(6) . ?
Ag2 C2 2.478(8) . ?
Ag2 Ag3 3.2331(10) . ?
Ag3 C1 2.286(8) . ?
Ag3 N4 2.354(6) . ?
Ag3 C7 2.358(8) . ?
Ag3 N3 2.405(6) . ?
Ag3 Ag4 3.1227(11) . ?
Ag3 Ag1 3.2042(9) 2_786 ?
Ag4 C7 2.170(9) . ?
Ag4 N5 2.290(7) . ?
Ag4 N6 2.301(7) . ?
Ag4 Ag1 3.0294(11) 2_786 ?
N1 C17 1.327(9) . ?
N1 C13 1.318(10) . ?
N2 C22 1.336(11) . ?
N2 C18 1.335(11) . ?
N3 C23 1.333(10) . ?
N3 C27 1.322(10) . ?
N4 C32 1.336(11) . ?
N4 C28 1.361(10) . ?
N5 C33 1.290(12) . ?
N5 C37 1.381(11) . ?
N6 C42 1.324(12) . ?
N6 C38 1.358(11) . ?
C1 C2 1.208(10) . ?
C2 C3 1.487(11) . ?
C3 C5 1.477(16) . ?
C3 C4 1.507(16) . ?
C3 C6 1.528(13) . ?
C7 C8 1.221(10) . ?
C7 Ag1 2.062(8) 2_786 ?
C8 C9 1.461(11) . ?
C9 C10 1.528(16) . ?
C9 C11 1.529(16) . ?
C9 C12 1.569(16) . ?
C13 C14 1.361(11) . ?
C14 C15 1.351(14) . ?
C15 C16 1.370(14) . ?
C16 C17 1.419(11) . ?
C17 C18 1.460(12) . ?
C18 C19 1.417(12) . ?
C19 C20 1.388(17) . ?
C20 C21 1.308(19) . ?
C21 C22 1.385(17) . ?
C23 C24 1.381(12) . ?
C24 C25 1.392(15) . ?
C25 C26 1.345(14) . ?
C26 C27 1.401(11) . ?
C27 C28 1.487(12) . ?
C28 C29 1.398(12) . ?
C29 C30 1.393(15) . ?
C30 C31 1.340(15) . ?
C31 C32 1.355(13) . ?
C33 C34 1.367(15) . ?
C34 C35 1.363(18) . ?
C35 C36 1.399(17) . ?
C36 C37 1.355(12) . ?
C37 C38 1.464(13) . ?
C38 C39 1.362(12) . ?
C39 C40 1.357(15) . ?
C40 C41 1.329(16) . ?
C41 C42 1.374(15) . ?
S1 O2 1.402(7) . ?
S1 O1 1.411(8) . ?
S1 O3 1.436(8) . ?
S1 C43 1.817(15) . ?
C43 F2 1.285(19) . ?
C43 F1 1.308(17) . ?
C43 F3 1.331(17) . ?
S2 O6 1.410(8) . ?
S2 O4 1.413(8) . ?
S2 O5 1.438(7) . ?
S2 C44 1.857(8) . ?
C44 F5 1.308(9) . ?
C44 F6 1.327(9) . ?
C44 F4 1.362(9) . ?
S2' O4' 1.421(10) . ?
S2' O5' 1.422(9) . ?
S2' O6' 1.436(10) . ?
