#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:48:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180519 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/88/7218803.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_7218803
loop_
_publ_author_name
'Wan, Chong-Qing'
'Sun, Xiao-Li'
'Li, Ai-Min'
'Sun, Xin-Zhan'
'Lee, Hung Kay'
'Han, Hong-Liang'
'Che, Guang-Bo'
_publ_section_title
;
 A series of silver(i) coordination polymers of a new linear
 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and
 inorganic anions
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              797
_journal_paper_doi               10.1039/C4CE02029D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C39 H39 Ag3 N6 O9.25 S3'
_chemical_formula_weight         1160.02
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                102.16(3)
_cell_angle_beta                 95.99(3)
_cell_angle_gamma                102.80(3)
_cell_formula_units_Z            2
_cell_length_a                   10.267(4)
_cell_length_b                   12.136(6)
_cell_length_c                   22.648(10)
_cell_measurement_temperature    296(2)
_cell_volume                     2656(2)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0735
_diffrn_reflns_av_unetI/netI     0.1376
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            18284
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.509
_diffrn_reflns_theta_min         2.241
_exptl_absorpt_coefficient_mu    1.263
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6071
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_description       Block
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.301
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         9765
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.2515
_refine_ls_R_factor_gt           0.1096
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2943
_refine_ls_wR_factor_ref         0.3996
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3389
_reflns_number_total             9765
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce02029d2.cif
_cod_data_source_block           CCDC1018763
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7218794--7218803.cif.
;
_cod_database_code               7218803
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-3
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.11810(4) 0.36466(5) 0.20767(2) 0.10107(17) Uani 1 1 d . . . . .
Ag2 Ag 0.84389(4) 0.33428(4) 0.11627(2) 0.09190(15) Uani 1 1 d . . . . .
Ag3 Ag -0.13119(4) 0.00806(4) 0.46081(2) 0.10032(16) Uani 1 1 d . . . . .
S3 S 0.6614(3) 0.0813(2) 0.34855(13) 0.1150(11) Uani 0.66 1 d D . P A 1
C28 C 0.6559(6) 0.1827(7) 0.4204(3) 0.1405(16) Uani 0.66 1 d D . P A 1
H28A H 0.7307 0.1872 0.4515 0.169 Uiso 0.66 1 calc R U P A 1
H28B H 0.6600 0.2601 0.4143 0.169 Uiso 0.66 1 calc R U P A 1
C28' C 0.6438(7) 0.1175(12) 0.3338(3) 0.1150(11) Uani 0.34 1 d D . P A 2
H28C H 0.6237 0.0334 0.3274 0.138 Uiso 0.34 1 calc R U P A 2
H28D H 0.5713 0.1381 0.3111 0.138 Uiso 0.34 1 calc R U P A 2
S3' S 0.6695(4) 0.1897(5) 0.41603(18) 0.1405(16) Uani 0.34 1 d D . P A 2
O1 O 1.0978(4) 0.5609(4) 0.2463(2) 0.138(2) Uani 1 1 d . . . . .
O2 O 0.8945(4) 0.5352(3) 0.18829(18) 0.1119(17) Uani 1 1 d . . . . .
O3 O 1.0842(4) 0.7763(4) 0.30686(18) 0.1286(19) Uani 1 1 d . . . . .
H3 H 1.1245 0.8127 0.2848 0.193 Uiso 1 1 calc R U . . .
O4 O 0.9322(6) 0.7911(4) 0.4178(2) 0.171(3) Uani 1 1 d . . . . .
O5 O 0.7778(5) 0.8236(4) 0.3566(2) 0.148(2) Uani 1 1 d . . . . .
O6 O 0.9605(7) 0.8754(5) 0.1608(3) 0.243(4) Uani 1 1 d D U . . .
O7 O 1.1191(5) 0.8092(6) 0.2046(3) 0.272(4) Uani 1 1 d D U . . .
N3 N 0.6795(4) 0.2665(3) 0.16162(16) 0.0722(13) Uani 1 1 d . . . . .
N4 N 0.0220(3) 0.1007(4) 0.41998(17) 0.0803(15) Uani 1 1 d . . . . .
N5 N 0.2961(4) 0.0432(4) 0.49080(17) 0.0870(15) Uani 1 1 d . . . . .
N1 N 1.7081(2) 0.6009(2) -0.15942(9) 0.0854(15) Uani 1 1 d G . . . .
C1 C 1.6178(3) 0.4920(2) -0.17133(16) 0.109(3) Uani 1 1 d G . . . .
H1A H 1.6283 0.4310 -0.2015 0.131 Uiso 1 1 calc R U . . .
C2 C 1.5117(3) 0.4744(4) -0.1381(2) 0.132(2) Uani 1 1 d G . . . .
H2A H 1.4513 0.4016 -0.1461 0.159 Uiso 1 1 calc R U . . .
C3 C 1.4960(3) 0.5656(5) -0.09302(19) 0.156(3) Uani 1 1 d DG . . . .
C4 C 1.5863(4) 0.6745(4) -0.08111(15) 0.119(3) Uani 1 1 d G . . . .
H4A H 1.5758 0.7355 -0.0509 0.143 Uiso 1 1 calc R U . . .
C5 C 1.6924(3) 0.6921(3) -0.11431(13) 0.0820(19) Uani 1 1 d G . . . .
H5A H 1.7528 0.7649 -0.1063 0.098 Uiso 1 1 calc R U . . .
S1 S 1.3641(2) 0.57837(16) -0.03465(9) 0.0929(7) Uani 0.8 1 d D . P B 1
C6 C 1.2803(8) 0.4223(5) -0.0605(3) 0.304(4) Uani 0.8 1 d D . P B 1
H6A H 1.2300 0.3997 -0.1017 0.364 Uiso 0.8 1 calc R U P B 1
H6B H 1.3399 0.3721 -0.0553 0.364 Uiso 0.8 1 calc R U P B 1
C6' C 1.4042(8) 0.5848(7) -0.0421(4) 0.0929(7) Uani 0.2 1 d D . P B 2
H6'A H 1.3524 0.6410 -0.0472 0.112 Uiso 0.2 1 calc R U P B 2
H6'B H 1.4550 0.6063 -0.0010 0.112 Uiso 0.2 1 calc R U P B 2
S1' S 1.2992(8) 0.4340(6) -0.0629(4) 0.304(4) Uani 0.2 1 d D . P B 2
C7 C 1.19003(18) 0.4375(2) -0.00938(9) 0.155(3) Uani 1 1 d DG . . . .
C8 C 1.1106(2) 0.3238(2) -0.02334(13) 0.138(4) Uani 1 1 d G . . B .
H8A H 1.1217 0.2696 -0.0569 0.165 Uiso 1 1 calc R U . . .
C9 C 1.0148(3) 0.2912(3) 0.01292(17) 0.110(3) Uani 1 1 d G . . B .
H9A H 0.9617 0.2151 0.0036 0.132 Uiso 1 1 calc R U . . .
N2 N 0.9983(3) 0.3723(4) 0.06312(16) 0.0829(15) Uani 1 1 d G . . B .
C10 C 1.0777(3) 0.4860(3) 0.07708(12) 0.0768(18) Uani 1 1 d G . . B .
H10A H 1.0667 0.5402 0.1107 0.092 Uiso 1 1 calc R U . . .
C11 C 1.1736(2) 0.5186(2) 0.04083(11) 0.110(2) Uani 1 1 d G . . B .
H11A H 1.2267 0.5946 0.0502 0.132 Uiso 1 1 calc R U . . .
C12 C 0.5979(5) 0.1580(4) 0.1457(2) 0.0851(18) Uani 1 1 d . . . . .
H12A H 0.6133 0.1045 0.1128 0.102 Uiso 1 1 calc R U . . .
C13 C 0.4977(5) 0.1247(4) 0.1746(2) 0.086(2) Uani 1 1 d . . . . .
H13A H 0.4453 0.0483 0.1617 0.103 Uiso 1 1 calc R U . . .
C14 C 0.4662(3) 0.1998(4) 0.22434(17) 0.0634(15) Uani 1 1 d D . . . .
C15 C 0.5526(4) 0.3115(4) 0.2421(2) 0.0779(17) Uani 1 1 d . . . . .
H15A H 0.5434 0.3651 0.2764 0.093 Uiso 1 1 calc R U . . .
C16 C 0.6494(5) 0.3395(4) 0.2083(2) 0.0819(19) Uani 1 1 d . . . . .
H16A H 0.7000 0.4165 0.2183 0.098 Uiso 1 1 calc R U . . .
S2 S 0.33465(17) 0.27075(16) 0.31859(8) 0.0946(6) Uani 0.8 1 d D . P C 1
C17 C 0.3572(4) 0.1487(5) 0.2593(2) 0.0820(15) Uani 0.8 1 d D . P C 1
H17A H 0.3851 0.0911 0.2782 0.098 Uiso 0.8 1 calc R U P C 1
H17B H 0.2728 0.1113 0.2316 0.098 Uiso 0.8 1 calc R U P C 1
C17' C 0.2931(10) 0.2618(7) 0.3096(3) 0.0946(6) Uani 0.2 1 d D . P C 2
H17C H 0.3817 0.3069 0.3314 0.114 Uiso 0.2 1 calc R U P C 2
H17D H 0.2449 0.3145 0.2960 0.114 Uiso 0.2 1 calc R U P C 2
S2' S 0.3108(4) 0.1509(5) 0.2432(2) 0.0820(15) Uani 0.2 1 d D . P C 2
C18 C 0.2134(4) 0.1979(4) 0.35240(17) 0.0684(17) Uani 1 1 d D . . . .
C19 C 0.1414(6) 0.0827(5) 0.3318(3) 0.108(3) Uani 1 1 d . . . . .
H19A H 0.1556 0.0353 0.2963 0.129 Uiso 1 1 calc R U . . .
C20 C 0.0489(6) 0.0420(6) 0.3659(3) 0.118(2) Uani 1 1 d . . . . .
H20A H -0.0019 -0.0345 0.3507 0.142 Uiso 1 1 calc R U . . .
C21 C 0.0970(5) 0.2114(4) 0.4400(2) 0.0965(19) Uani 1 1 d . . . . .
H21A H 0.0882 0.2548 0.4778 0.116 Uiso 1 1 calc R U . . .
C22 C 0.1842(6) 0.2615(5) 0.4071(3) 0.109(2) Uani 1 1 d . . . . .
H22A H 0.2266 0.3404 0.4208 0.130 Uiso 1 1 calc R U . . .
C23 C 0.3863(6) 0.1495(6) 0.5158(3) 0.132(3) Uani 1 1 d . . . . .
H23A H 0.3698 0.1962 0.5510 0.158 Uiso 1 1 calc R U . . .
C24 C 0.4930(6) 0.1879(7) 0.4930(3) 0.136(3) Uani 1 1 d . . . . .
H24A H 0.5540 0.2572 0.5143 0.163 Uiso 1 1 calc R U . . .
C25 C 0.5187(4) 0.1307(5) 0.4391(2) 0.092(2) Uani 1 1 d D . . . .
C26 C 0.4315(6) 0.0186(6) 0.4112(2) 0.114(2) Uani 1 1 d . . . . .
H26A H 0.4478 -0.0273 0.3757 0.137 Uiso 1 1 calc R U . . .
C27 C 0.3202(6) -0.0200(6) 0.4391(3) 0.121(3) Uani 1 1 d . . . . .
H27A H 0.2610 -0.0922 0.4211 0.146 Uiso 1 1 calc R U . . .
C29 C 0.78200(19) 0.1662(2) 0.31548(10) 0.093(2) Uani 1 1 d DG . . . .
C30 C 0.8479(3) 0.2832(2) 0.33816(14) 0.101(2) Uani 1 1 d G . . A .
H30A H 0.8285 0.3250 0.3741 0.121 Uiso 1 1 calc R U . . .
C31 C 0.9427(3) 0.3376(3) 0.3071(2) 0.113(2) Uani 1 1 d G . . A .
H31A H 0.9867 0.4159 0.3223 0.136 Uiso 1 1 calc R U . . .
N6 N 0.9716(3) 0.2750(4) 0.25339(19) 0.0848(15) Uani 1 1 d G . . A .
C32 C 0.9058(4) 0.1580(4) 0.23071(14) 0.119(3) Uani 1 1 d G . . A .
H32A H 0.9251 0.1161 0.1948 0.143 Uiso 1 1 calc R U . . .
C33 C 0.8110(3) 0.1036(3) 0.26176(11) 0.131(3) Uani 1 1 d G . . A .
H33A H 0.7669 0.0253 0.2466 0.158 Uiso 1 1 calc R U . . .
C34 C 0.9894(5) 0.5916(4) 0.2320(2) 0.096(2) Uani 1 1 d D . . . .
C35 C 0.9618(5) 0.7053(4) 0.2738(2) 0.087(2) Uani 1 1 d D . . . .
C36 C 0.8779(5) 0.6663(4) 0.3170(2) 0.099(2) Uani 1 1 d D . . . .
H36A H 0.9181 0.6148 0.3362 0.119 Uiso 1 1 calc R U . . .
H36B H 0.7894 0.6219 0.2949 0.119 Uiso 1 1 calc R U . . .
C37 C 0.8599(6) 0.7712(5) 0.3692(2) 0.109(2) Uani 1 1 d D . . . .
C38 C 0.9102(6) 0.7710(5) 0.2379(2) 0.123(3) Uani 1 1 d D . . . .
H38A H 0.8853 0.8336 0.2650 0.148 Uiso 1 1 calc R U . . .
H38B H 0.8277 0.7217 0.2121 0.148 Uiso 1 1 calc R U . . .
C39 C 1.0072(4) 0.8274(5) 0.1947(2) 0.146(3) Uani 1 1 d D U . . .
O1W O 1.1356(9) 0.7057(11) 0.4457(4) 0.483(6) Uani 1 1 d . . . . .
O2W O 1.2861(7) 0.6323(10) 0.3460(4) 0.362(6) Uani 1 1 d . . . . .
O3W O 1.9246(15) 0.9634(11) -0.1068(5) 0.113(5) Uani 0.25 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'
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
N6 Ag1 N1 159.46(14) . 2_865
N6 Ag1 O1 98.72(17) . .
N1 Ag1 O1 100.52(13) 2_865 .
N6 Ag1 Ag2 79.34(12) . .
N1 Ag1 Ag2 109.41(7) 2_865 .
O1 Ag1 Ag2 84.95(11) . .
N2 Ag2 N3 170.59(15) . .
N2 Ag2 O2 97.16(16) . .
N3 Ag2 O2 92.22(14) . .
N2 Ag2 Ag1 76.16(11) . .
N3 Ag2 Ag1 106.14(10) . .
O2 Ag2 Ag1 72.99(11) . .
N4 Ag3 N5 165.58(17) . 2_556
N4 Ag3 Ag3 78.95(11) . 2_556
N5 Ag3 Ag3 106.40(11) 2_556 2_556
C29 S3 C28 102.8(3) . .
C25 C28 S3 104.5(4) . .
C25 C28 H28A 110.8 . .
S3 C28 H28A 110.8 . .
C25 C28 H28B 110.8 . .
S3 C28 H28B 110.8 . .
H28A C28 H28B 108.9 . .
C29 C28' S3' 102.4(4) . .
C29 C28' H28C 111.3 . .
S3' C28' H28C 111.3 . .
C29 C28' H28D 111.3 . .
S3' C28' H28D 111.3 . .
H28C C28' H28D 109.2 . .
C25 S3' C28' 103.5(4) . .
C34 O1 Ag1 121.7(3) . .
C34 O2 Ag2 133.4(4) . .
C35 O3 H3 109.5 . .
C16 N3 C12 115.4(4) . .
C16 N3 Ag2 118.1(3) . .
C12 N3 Ag2 126.4(3) . .
C21 N4 C20 114.3(4) . .
C21 N4 Ag3 128.7(3) . .
C20 N4 Ag3 117.0(3) . .
C27 N5 C23 116.8(5) . .
C27 N5 Ag3 125.8(3) . 2_556
C23 N5 Ag3 117.4(4) . 2_556
C1 N1 C5 120.0 . .
C1 N1 Ag1 122.50(13) . 2_865
C5 N1 Ag1 117.48(13) . 2_865
N1 C1 C2 120.0 . .
N1 C1 H1A 120.0 . .
C2 C1 H1A 120.0 . .
C3 C2 C1 120.0 . .
C3 C2 H2A 120.0 . .
C1 C2 H2A 120.0 . .
C2 C3 C4 120.0 . .
C2 C3 C6' 138.0(4) . .
C4 C3 C6' 101.8(4) . .
C2 C3 S1 133.3(3) . .
C4 C3 S1 106.7(3) . .
C3 C4 C5 120.0 . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
C4 C5 N1 120.0 . .
C4 C5 H5A 120.0 . .
N1 C5 H5A 120.0 . .
C6 S1 C3 92.2(3) . .
C7 C6 S1 89.0(3) . .
C7 C6 H6A 113.8 . .
S1 C6 H6A 113.8 . .
C7 C6 H6B 113.8 . .
S1 C6 H6B 113.8 . .
H6A C6 H6B 111.0 . .
C3 C6' S1' 95.4(5) . .
C3 C6' H6'A 112.7 . .
S1' C6' H6'A 112.7 . .
C3 C6' H6'B 112.7 . .
S1' C6' H6'B 112.7 . .
H6'A C6' H6'B 110.2 . .
C7 S1' C6' 102.1(5) . .
C8 C7 C11 120.0 . .
C8 C7 C6 98.0(3) . .
C11 C7 C6 141.9(2) . .
C8 C7 S1' 103.4(2) . .
C11 C7 S1' 136.5(2) . .
C7 C8 C9 120.0 . .
C7 C8 H8A 120.0 . .
C9 C8 H8A 120.0 . .
N2 C9 C8 120.0 . .
N2 C9 H9A 120.0 . .
C8 C9 H9A 120.0 . .
C10 N2 C9 120.0 . .
C10 N2 Ag2 117.28(19) . .
C9 N2 Ag2 122.51(19) . .
N2 C10 C11 120.0 . .
N2 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C10 C11 C7 120.0 . .
C10 C11 H11A 120.0 . .
C7 C11 H11A 120.0 . .
C13 C12 N3 122.6(5) . .
C13 C12 H12A 118.7 . .
N3 C12 H12A 118.7 . .
C12 C13 C14 122.6(4) . .
C12 C13 H13A 118.7 . .
C14 C13 H13A 118.7 . .
C15 C14 C13 115.0(4) . .
C15 C14 C17 126.0(4) . .
C13 C14 C17 118.4(4) . .
C15 C14 S2' 128.9(4) . .
C13 C14 S2' 114.6(3) . .
C16 C15 C14 118.3(4) . .
C16 C15 H15A 120.9 . .
C14 C15 H15A 120.9 . .
N3 C16 C15 125.8(4) . .
N3 C16 H16A 117.1 . .
C15 C16 H16A 117.1 . .
C18 S2 C17 100.5(2) . .
C14 C17 S2 107.3(3) . .
C14 C17 H17A 110.3 . .
S2 C17 H17A 110.3 . .
C14 C17 H17B 110.3 . .
S2 C17 H17B 110.3 . .
H17A C17 H17B 108.5 . .
C18 C17' S2' 108.1(5) . .
C18 C17' H17C 110.1 . .
S2' C17' H17C 110.1 . .
C18 C17' H17D 110.1 . .
S2' C17' H17D 110.1 . .
H17C C17' H17D 108.4 . .
C14 S2' C17' 106.8(4) . .
C19 C18 C22 116.8(4) . .
C19 C18 C17' 120.8(4) . .
C22 C18 C17' 120.6(5) . .
C19 C18 S2 126.5(4) . .
C22 C18 S2 116.7(3) . .
C20 C19 C18 116.9(5) . .
C20 C19 H19A 121.6 . .
C18 C19 H19A 121.6 . .
C19 C20 N4 127.4(5) . .
C19 C20 H20A 116.3 . .
N4 C20 H20A 116.3 . .
N4 C21 C22 122.2(4) . .
N4 C21 H21A 118.9 . .
C22 C21 H21A 118.9 . .
C21 C22 C18 122.1(4) . .
C21 C22 H22A 119.0 . .
C18 C22 H22A 119.0 . .
C24 C23 N5 123.5(6) . .
C24 C23 H23A 118.3 . .
N5 C23 H23A 118.3 . .
C23 C24 C25 122.3(6) . .
C23 C24 H24A 118.9 . .
C25 C24 H24A 118.9 . .
C24 C25 C26 117.2(5) . .
C24 C25 C28 116.0(4) . .
C26 C25 C28 125.6(5) . .
C24 C25 S3' 116.9(4) . .
C26 C25 S3' 125.1(4) . .
C27 C26 C25 117.6(5) . .
C27 C26 H26A 121.2 . .
C25 C26 H26A 121.2 . .
N5 C27 C26 122.4(5) . .
N5 C27 H27A 118.8 . .
C26 C27 H27A 118.8 . .
C30 C29 C33 120.0 . .
C30 C29 C28' 119.7(5) . .
C33 C29 C28' 116.4(4) . .
C30 C29 S3 126.87(15) . .
C33 C29 S3 113.12(15) . .
C31 C30 C29 120.0 . .
C31 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C30 C31 N6 120.0 . .
C30 C31 H31A 120.0 . .
N6 C31 H31A 120.0 . .
C31 N6 C32 120.0 . .
C31 N6 Ag1 118.0(2) . .
C32 N6 Ag1 122.0(2) . .
C33 C32 N6 120.0 . .
C33 C32 H32A 120.0 . .
N6 C32 H32A 120.0 . .
C32 C33 C29 120.0 . .
C32 C33 H33A 120.0 . .
C29 C33 H33A 120.0 . .
O2 C34 O1 125.5(5) . .
O2 C34 C35 115.0(4) . .
O1 C34 C35 119.4(4) . .
O3 C35 C38 106.1(4) . .
O3 C35 C36 108.1(4) . .
C38 C35 C36 115.8(5) . .
O3 C35 C34 108.9(4) . .
C38 C35 C34 111.0(4) . .
C36 C35 C34 106.9(4) . .
C35 C36 C37 113.2(4) . .
C35 C36 H36A 108.9 . .
C37 C36 H36A 108.9 . .
C35 C36 H36B 108.9 . .
C37 C36 H36B 108.9 . .
H36A C36 H36B 107.8 . .
O5 C37 O4 126.1(6) . .
O5 C37 C36 118.0(5) . .
O4 C37 C36 115.9(6) . .
C35 C38 C39 117.2(5) . .
C35 C38 H38A 108.0 . .
C39 C38 H38A 108.0 . .
C35 C38 H38B 108.0 . .
C39 C38 H38B 108.0 . .
H38A C38 H38B 107.2 . .
O6 C39 O7 132.8(7) . .
O6 C39 C38 117.5(6) . .
O7 C39 C38 109.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N6 2.143(2) .
Ag1 N1 2.196(2) 2_865
Ag1 O1 2.421(5) .
Ag1 Ag2 3.2169(15) .
Ag2 N2 2.118(2) .
Ag2 N3 2.164(4) .
Ag2 O2 2.542(4) .
Ag3 N4 2.133(4) .
Ag3 N5 2.159(4) 2_556
Ag3 Ag3 3.1350(15) 2_556
S3 C29 1.763(4) .
S3 C28 1.837(7) .
C28 C25 1.550(7) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28' C29 1.546(8) .
C28' S3' 1.847(8) .
C28' H28C 0.9700 .
C28' H28D 0.9700 .
S3' C25 1.736(6) .
O1 C34 1.280(7) .
O2 C34 1.272(5) .
O3 C35 1.390(6) .
O3 H3 0.8200 .
O4 C37 1.208(7) .
O5 C37 1.208(8) .
O6 C39 1.181(8) .
O7 C39 1.225(7) .
N3 C16 1.340(6) .
N3 C12 1.347(5) .
N4 C21 1.347(6) .
N4 C20 1.370(7) .
N5 C27 1.336(7) .
N5 C23 1.377(7) .
N5 Ag3 2.159(4) 2_556
N1 C1 1.3900 .
N1 C5 1.3900 .
N1 Ag1 2.196(2) 2_865
C1 C2 1.3900 .
C1 H1A 0.9300 .
C2 C3 1.3900 .
C2 H2A 0.9300 .
C3 C4 1.3900 .
C3 C6' 1.576(9) .
C3 S1 1.996(3) .
C4 C5 1.3900 .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
S1 C6 1.837(6) .
C6 C7 1.562(8) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6' S1' 1.841(9) .
C6' H6'A 0.9700 .
C6' H6'B 0.9700 .
S1' C7 1.735(8) .
C7 C8 1.3900 .
C7 C11 1.3900 .
C8 C9 1.3900 .
C8 H8A 0.9300 .
C9 N2 1.3900 .
C9 H9A 0.9300 .
N2 C10 1.3900 .
C10 C11 1.3900 .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.311(7) .
C12 H12A 0.9300 .
C13 C14 1.407(6) .
C13 H13A 0.9300 .
C14 C15 1.396(6) .
C14 C17 1.532(6) .
C14 S2' 1.706(6) .
C15 C16 1.344(7) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
S2 C18 1.707(4) .
S2 C17 1.852(5) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17' C18 1.552(9) .
C17' S2' 1.850(9) .
C17' H17C 0.9700 .
C17' H17D 0.9700 .
C18 C19 1.384(6) .
C18 C22 1.413(7) .
C19 C20 1.359(9) .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 C22 1.348(8) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.296(9) .
C23 H23A 0.9300 .
C24 C25 1.354(8) .
C24 H24A 0.9300 .
C25 C26 1.426(7) .
C26 C27 1.402(8) .
C26 H26A 0.9300 .
C27 H27A 0.9300 .
C29 C30 1.3900 .
C29 C33 1.3900 .
C30 C31 1.3900 .
C30 H30A 0.9300 .
C31 N6 1.3900 .
C31 H31A 0.9300 .
N6 C32 1.3900 .
C32 C33 1.3900 .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
C34 C35 1.600(7) .
C35 C38 1.396(8) .
C35 C36 1.453(7) .
C36 C37 1.603(7) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C38 C39 1.614(8) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C29 S3_a C28_a C25 159.7(4) .
C29 C28' S3' C25 -176.9(6) .
C5 N1 C1 C2 0.0 .
Ag1 N1 C1 C2 178.15(13) 2_865
N1 C1 C2 C3 0.0 .
C1 C2 C3 C4 0.0 .
C1 C2 C3 C6' -173.6(6) .
C1 C2 C3 S1 -178.6(3) .
C2 C3 C4 C5 0.0 .
C6' C3 C4 C5 175.6(4) .
S1 C3 C4 C5 178.9(2) .
C3 C4 C5 N1 0.0 .
C1 N1 C5 C4 0.0 .
Ag1 N1 C5 C4 -178.24(13) 2_865
C3 S1 C6 C7 175.0(3) .
C2 C3 C6' S1' -3.5(8) .
C4 C3 C6' S1' -177.8(4) .
S1 C3 C6' S1' 35(3) .
C3 C6' S1' C7 179.2(5) .
S1 C6 C7 C8 177.5(2) .
S1 C6 C7 C11 -6.8(7) .
S1 C6 C7 S1' -10(4) .
C6' S1' C7 C8 -179.0(4) .
C6' S1' C7 C11 -3.8(7) .
C6' S1' C7 C6 174(5) .
C11 C7 C8 C9 0.0 .
C6 C7 C8 C9 176.9(3) .
S1' C7 C8 C9 176.2(3) .
C7 C8 C9 N2 0.0 .
C8 C9 N2 C10 0.0 .
C8 C9 N2 Ag2 174.6(2) .
C9 N2 C10 C11 0.0 .
Ag2 N2 C10 C11 -174.90(19) .
N2 C10 C11 C7 0.0 .
C8 C7 C11 C10 0.0 .
C6 C7 C11 C10 -175.0(5) .
S1' C7 C11 C10 -174.6(5) .
C16 N3 C12 C13 -1.5(8) .
Ag2 N3 C12 C13 -177.9(4) .
N3 C12 C13 C14 0.6(9) .
C12 C13 C14 C15 -2.1(8) .
C12 C13 C14 C17 -173.4(5) .
C12 C13 C14 S2' 165.1(5) .
C13 C14 C15 C16 4.7(7) .
C17 C14 C15 C16 175.2(5) .
S2' C14 C15 C16 -160.3(5) .
C12 N3 C16 C15 4.6(8) .
Ag2 N3 C16 C15 -178.7(4) .
C14 C15 C16 N3 -6.4(8) .
C15 C14 C17 S2 12.6(6) .
C13 C14 C17 S2 -177.1(4) .
S2' C14 C17 S2 -93.3(9) .
C18 S2 C17 C14 -179.4(3) .
C15 C14 S2' C17' -15.6(7) .
C13 C14 S2' C17' 179.3(5) .
C17 C14 S2' C17' 73.5(8) .
C18 C17' S2' C14 -144.0(5) .
S2' C17' C18 C19 -15.7(9) .
S2' C17' C18 C22 -179.7(5) .
S2' C17' C18 S2 102.1(16) .
C17 S2 C18 C19 -9.1(5) .
C17 S2 C18 C22 170.5(4) .
C17 S2 C18 C17' -80.1(13) .
C22 C18 C19 C20 0.4(8) .
C17' C18 C19 C20 -164.2(7) .
S2 C18 C19 C20 -179.9(5) .
C18 C19 C20 N4 -2.8(10) .
C21 N4 C20 C19 0.6(9) .
Ag3 N4 C20 C19 -179.9(6) .
C20 N4 C21 C22 4.2(8) .
Ag3 N4 C21 C22 -175.2(4) .
N4 C21 C22 C18 -6.7(9) .
C19 C18 C22 C21 4.1(8) .
C17' C18 C22 C21 168.8(6) .
S2 C18 C22 C21 -175.6(5) .
C27 N5 C23 C24 -2.2(10) .
Ag3 N5 C23 C24 176.5(6) 2_556
N5 C23 C24 C25 6.0(12) .
C23 C24 C25 C26 -7.0(11) .
C23 C24 C25 C28 -175.4(7) .
C23 C24 C25 S3' -177.3(7) .
S3 C28 C25 C24 177.2(5) .
S3 C28 C25 C26 9.9(8) .
S3 C28 C25 S3' -64(10) .
C28' S3' C25 C24 -163.4(7) .
C28' S3' C25 C26 27.2(8) .
C28' S3' C25 C28 134(11) .
C24 C25 C26 C27 4.7(9) .
C28 C25 C26 C27 171.8(6) .
S3' C25 C26 C27 174.1(5) .
C23 N5 C27 C26 0.1(9) .
Ag3 N5 C27 C26 -178.6(5) 2_556
C25 C26 C27 N5 -1.5(10) .
S3' C28' C29 C30 -41.2(8) .
S3' C28' C29 C33 161.0(4) .
S3' C28' C29 S3 74.9(7) .
C28 S3 C29 C30 -3.6(3) .
C28 S3 C29 C33 175.4(3) .
C28 S3 C29 C28' -80.9(9) .
C33 C29 C30 C31 0.0 .
C28' C29 C30 C31 -157.0(4) .
S3 C29 C30 C31 178.89(19) .
C29 C30 C31 N6 0.0 .
C30 C31 N6 C32 0.0 .
C30 C31 N6 Ag1 179.7(2) .
C31 N6 C32 C33 0.0 .
Ag1 N6 C32 C33 -179.7(2) .
N6 C32 C33 C29 0.0 .
C30 C29 C33 C32 0.0 .
C28' C29 C33 C32 157.7(5) .
S3 C29 C33 C32 -179.03(16) .
Ag2 O2 C34 O1 8.6(9) .
Ag2 O2 C34 C35 -167.3(3) .
Ag1 O1 C34 O2 -15.3(8) .
Ag1 O1 C34 C35 160.4(3) .
O2 C34 C35 O3 -162.1(5) .
O1 C34 C35 O3 21.7(7) .
O2 C34 C35 C38 -45.8(6) .
O1 C34 C35 C38 138.1(5) .
O2 C34 C35 C36 81.3(6) .
O1 C34 C35 C36 -94.8(6) .
O3 C35 C36 C37 53.9(6) .
C38 C35 C36 C37 -64.8(6) .
C34 C35 C36 C37 171.0(4) .
C35 C36 C37 O5 80.1(7) .
C35 C36 C37 O4 -99.1(6) .
O3 C35 C38 C39 53.8(6) .
C36 C35 C38 C39 173.6(4) .
C34 C35 C38 C39 -64.3(5) .
C35 C38 C39 O6 174.3(5) .
C35 C38 C39 O7 -5.2(7) .
