#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:47:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180096 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/42/7054294.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_7054294
loop_
_publ_author_name
'Wang, Han'
'Yang, Jin'
'Mak, Thomas C. W.'
_publ_section_title
;
 Supramolecular silver(i) coordination isomers of different
 dimensionalities assembled using a conformationally flexible multidentate
 oligo-α-sulfanylpyrazinyl ligand
;
_journal_issue                   10
_journal_name_full               'New J. Chem.'
_journal_page_first              4690
_journal_paper_doi               10.1039/C4NJ00836G
_journal_volume                  38
_journal_year                    2014
_chemical_formula_sum            'C36 H28 Ag2 Cl2 N18 O10 S6'
_chemical_formula_weight         1351.76
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.9220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.3212(8)
_cell_length_b                   8.3276(4)
_cell_length_c                   17.9892(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2407.2(2)
_computing_cell_refinement       'SAINT(Bruker, 2001)'
_computing_data_collection       'APEX2(Bruker, 2003)'
_computing_data_reduction        'APEX2(Bruker, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.1220
_diffrn_reflns_av_sigmaI/netI    0.1229
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35169
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    1.261
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.186
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.12(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         11142
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0652
_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)+(0.0801P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1753
_reflns_number_gt                8774
_reflns_number_total             11142
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj00836g1.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7054291--7054294.cif.'
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7054294
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Ag1 Ag 0.75126(4) 0.92170(8) 0.66539(4) 0.03151(17) Uani 1 1 d .
Ag2 Ag 1.28664(4) 1.16008(8) 0.83951(4) 0.03143(17) Uani 1 1 d .
Cl1 Cl 1.27735(13) 1.1903(2) 0.64374(11) 0.0275(4) Uani 1 1 d .
Cl2 Cl 0.74429(13) 0.8844(3) 0.87389(11) 0.0294(4) Uani 1 1 d .
S1 S 0.48537(13) 0.6106(2) 0.39843(11) 0.0249(4) Uani 1 1 d .
S2 S 0.70883(14) 0.1370(3) 0.50989(13) 0.0341(5) Uani 1 1 d .
S3 S 0.87888(13) 0.8395(3) 0.57896(11) 0.0271(4) Uani 1 1 d .
S4 S 0.98074(15) 1.4557(3) 0.63390(13) 0.0339(5) Uani 1 1 d .
S5 S 1.26732(14) 0.9554(3) 0.97727(12) 0.0320(5) Uani 1 1 d .
S6 S 1.50944(12) 0.5189(2) 1.10930(10) 0.0231(4) Uani 1 1 d .
C1 C 0.6022(5) 0.7398(10) 0.5345(5) 0.0228(16) Uani 1 1 d .
H1 H 0.6165 0.8041 0.4994 0.027 Uiso 1 1 calc R
C2 C 0.6205(5) 0.6592(11) 0.6604(4) 0.0258(16) Uani 1 1 d .
H2 H 0.6476 0.6664 0.7157 0.031 Uiso 1 1 calc R
C3 C 0.5577(5) 0.5476(11) 0.6295(4) 0.0263(17) Uani 1 1 d .
H3 H 0.5439 0.4817 0.6644 0.032 Uiso 1 1 calc R
C4 C 0.5385(4) 0.6290(9) 0.5035(4) 0.0176(14) Uani 1 1 d .
C5 C 0.5376(4) 0.4394(10) 0.3829(4) 0.0212(15) Uani 1 1 d .
C6 C 0.5144(6) 0.3749(11) 0.3062(5) 0.0299(19) Uani 1 1 d .
H6 H 0.4693 0.4190 0.2648 0.036 Uiso 1 1 calc R
C7 C 0.6182(6) 0.1894(11) 0.3530(5) 0.0299(19) Uani 1 1 d .
H7 H 0.6499 0.1066 0.3444 0.036 Uiso 1 1 calc R
C8 C 0.6367(5) 0.2479(10) 0.4303(5) 0.0228(16) Uani 1 1 d .
C9 C 0.7437(5) 0.2735(11) 0.5918(5) 0.0282(18) Uani 1 1 d .
C10 C 0.7595(5) 0.4342(12) 0.5864(5) 0.0324(18) Uani 1 1 d .
H10 H 0.7470 0.4790 0.5358 0.039 Uiso 1 1 calc R
C11 C 0.8098(6) 0.4528(12) 0.7220(5) 0.039(2) Uani 1 1 d .
H11 H 0.8335 0.5122 0.7689 0.047 Uiso 1 1 calc R
C12 C 0.7945(7) 0.2953(13) 0.7278(6) 0.043(2) Uani 1 1 d .
H12 H 0.8075 0.2501 0.7783 0.051 Uiso 1 1 calc R
C13 C 0.9403(5) 0.8865(12) 0.8096(5) 0.035(2) Uani 1 1 d .
H13 H 0.9137 0.9031 0.8454 0.041 Uiso 1 1 calc R
C14 C 1.0260(5) 0.8708(12) 0.8392(5) 0.034(2) Uani 1 1 d .
H14 H 1.0550 0.8791 0.8942 0.040 Uiso 1 1 calc R
C15 C 1.0230(5) 0.8344(10) 0.7146(5) 0.0232(16) Uani 1 1 d .
H15 H 1.0498 0.8135 0.6795 0.028 Uiso 1 1 calc R
C16 C 0.9368(4) 0.8538(9) 0.6836(4) 0.0200(15) Uani 1 1 d .
C17 C 0.9033(5) 1.0293(10) 0.5479(4) 0.0226(16) Uani 1 1 d .
C18 C 0.8819(5) 1.0516(13) 0.4657(5) 0.033(2) Uani 1 1 d .
H18 H 0.8618 0.9656 0.4307 0.040 Uiso 1 1 calc R
C19 C 0.9189(6) 1.3123(11) 0.4899(5) 0.0309(19) Uani 1 1 d .
H19 H 0.9223 1.4156 0.4717 0.037 Uiso 1 1 calc R
C20 C 0.9441(5) 1.2865(10) 0.5709(5) 0.0235(16) Uani 1 1 d .
C21 C 1.0315(5) 1.3703(10) 0.7313(5) 0.0285(18) Uani 1 1 d .
C22 C 1.0953(5) 1.2623(10) 0.7464(5) 0.0277(18) Uani 1 1 d .
H22 H 1.1069 1.2210 0.7036 0.033 Uiso 1 1 calc R
C23 C 1.1213(6) 1.2794(12) 0.8795(5) 0.035(2) Uani 1 1 d .
H23 H 1.1523 1.2516 0.9324 0.042 Uiso 1 1 calc R
C24 C 1.0555(6) 1.3868(12) 0.8632(5) 0.038(2) Uani 1 1 d .
H24 H 1.0417 1.4251 0.9052 0.046 Uiso 1 1 calc R
C25 C 1.2462(5) 0.7973(10) 0.7668(4) 0.0229(16) Uani 1 1 d .
H25 H 1.2494 0.8395 0.7201 0.027 Uiso 1 1 calc R
C26 C 1.2225(5) 0.6416(12) 0.7678(5) 0.0323(19) Uani 1 1 d .
H26 H 1.2094 0.5805 0.7214 0.039 Uiso 1 1 calc R
C27 C 1.2343(5) 0.6644(12) 0.8969(4) 0.0275(16) Uani 1 1 d .
H27 H 1.2307 0.6208 0.9431 0.033 Uiso 1 1 calc R
C28 C 1.2576(5) 0.8241(10) 0.8968(4) 0.0214(15) Uani 1 1 d .
C29 C 1.3406(5) 0.8566(10) 1.0612(4) 0.0236(16) Uani 1 1 d .
C30 C 1.3495(6) 0.9116(12) 1.1368(5) 0.0346(19) Uani 1 1 d .
H30 H 1.3137 0.9905 1.1416 0.042 Uiso 1 1 calc R
C31 C 1.4568(6) 0.7389(10) 1.1921(5) 0.0269(18) Uani 1 1 d .
H31 H 1.4997 0.6982 1.2368 0.032 Uiso 1 1 calc R
C32 C 1.4450(4) 0.6786(10) 1.1169(4) 0.0195(15) Uani 1 1 d .
C33 C 1.4678(4) 0.4957(9) 1.0030(4) 0.0202(15) Uani 1 1 d .
C34 C 1.4053(4) 0.3855(9) 0.9680(4) 0.0195(15) Uani 1 1 d .
H34 H 1.3844 0.3268 1.0003 0.023 Uiso 1 1 calc R
C35 C 1.4059(5) 0.4527(10) 0.8449(4) 0.0249(17) Uani 1 1 d .
H35 H 1.3853 0.4417 0.7894 0.030 Uiso 1 1 calc R
C36 C 1.4683(6) 0.5617(11) 0.8818(5) 0.0281(18) Uani 1 1 d .
H36 H 1.4888 0.6227 0.8499 0.034 Uiso 1 1 calc R
N1 N 0.6438(4) 0.7571(8) 0.6140(4) 0.0248(15) Uani 1 1 d .
N2 N 0.5165(4) 0.5320(8) 0.5509(4) 0.0256(14) Uani 1 1 d .
N3 N 0.5964(4) 0.3711(8) 0.4459(4) 0.0200(13) Uani 1 1 d .
N4 N 0.5549(5) 0.2517(9) 0.2907(4) 0.0328(17) Uani 1 1 d .
N5 N 0.7608(5) 0.2017(10) 0.6623(4) 0.0314(17) Uani 1 1 d .
N6 N 0.7921(5) 0.5283(9) 0.6505(5) 0.0349(17) Uani 1 1 d .
N7 N 0.8949(4) 0.8786(8) 0.7320(4) 0.0257(15) Uani 1 1 d .
N8 N 1.0683(4) 0.8446(9) 0.7925(4) 0.0288(15) Uani 1 1 d .
N9 N 0.9360(4) 1.1440(8) 0.6009(3) 0.0219(13) Uani 1 1 d .
N10 N 0.8900(5) 1.1960(10) 0.4368(4) 0.0359(18) Uani 1 1 d .
N11 N 1.0115(5) 1.4365(10) 0.7885(4) 0.0334(16) Uani 1 1 d .
N12 N 1.1410(4) 1.2151(9) 0.8203(4) 0.0295(15) Uani 1 1 d .
N13 N 1.2656(4) 0.8929(9) 0.8334(4) 0.0222(14) Uani 1 1 d .
N14 N 1.2174(5) 0.5738(8) 0.8327(4) 0.0297(16) Uani 1 1 d .
N15 N 1.3880(4) 0.7385(8) 1.0507(3) 0.0193(13) Uani 1 1 d .
N16 N 1.4079(6) 0.8540(10) 1.2018(4) 0.0365(19) Uani 1 1 d .
N17 N 1.5012(5) 0.5845(8) 0.9617(4) 0.0270(15) Uani 1 1 d .
N18 N 1.3741(4) 0.3610(8) 0.8894(4) 0.0236(14) Uani 1 1 d .
O1 O 1.3026(8) 1.261(2) 0.5897(8) 0.137(7) Uani 1 1 d .
O2 O 1.2474(10) 1.3007(18) 0.6833(7) 0.122(6) Uani 1 1 d .
O3 O 1.2083(12) 1.0959(19) 0.6072(9) 0.193(10) Uani 1 1 d .
O4 O 1.3402(6) 1.1048(12) 0.7035(6) 0.078(3) Uani 1 1 d .
O5 O 0.8042(8) 0.9636(13) 0.9382(5) 0.098(4) Uani 1 1 d .
O6 O 0.6756(7) 0.8397(14) 0.8909(8) 0.099(4) Uani 1 1 d .
O7 O 0.7803(5) 0.7412(11) 0.8557(6) 0.066(2) Uani 1 1 d D
O8 O 0.7200(8) 0.9829(12) 0.8052(5) 0.089(4) Uani 1 1 d .
O1W O 0.9316(6) 0.5689(11) 0.9654(6) 0.061(2) Uani 1 1 d D
H1A H 0.882(4) 0.611(12) 0.937(6) 0.092 Uiso 1 1 d D
H1B H 0.926(7) 0.461(2) 0.963(9) 0.092 Uiso 1 1 d D
O2W O 0.9201(7) 1.2365(11) 0.9550(7) 0.075(3) Uani 1 1 d D
H2A H 0.886(7) 1.152(11) 0.949(10) 0.112 Uiso 1 1 d D
H2B H 0.972(4) 1.200(17) 0.986(9) 0.112 Uiso 1 1 d 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N1 Ag1 N5 131.5(3) . 1_565
N1 Ag1 N7 133.0(2) . .
N5 Ag1 N7 95.4(2) 1_565 .
N18 Ag2 N13 147.4(2) 1_565 .
N18 Ag2 N12 115.3(2) 1_565 .
N13 Ag2 N12 92.2(2) . .
O1 Cl1 O3 111.4(10) . .
O1 Cl1 O2 111.8(10) . .
O3 Cl1 O2 101.6(12) . .
O1 Cl1 O4 114.0(7) . .
O3 Cl1 O4 111.3(9) . .
O2 Cl1 O4 106.0(7) . .
O6 Cl2 O5 112.2(8) . .
O6 Cl2 O8 110.5(8) . .
O5 Cl2 O8 109.7(7) . .
O6 Cl2 O7 107.9(7) . .
O5 Cl2 O7 109.1(7) . .
O8 Cl2 O7 107.2(6) . .
C5 S1 C4 98.4(3) . .
C8 S2 C9 104.8(4) . .
C16 S3 C17 99.6(4) . .
C20 S4 C21 103.8(4) . .
C29 S5 C28 103.2(4) . .
C32 S6 C33 98.6(3) . .
N1 C1 C4 121.9(7) . .
N1 C1 H1 119.1 . .
C4 C1 H1 119.1 . .
N1 C2 C3 122.5(7) . .
N1 C2 H2 118.8 . .
C3 C2 H2 118.8 . .
N2 C3 C2 121.5(7) . .
N2 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
N2 C4 C1 121.5(7) . .
N2 C4 S1 118.2(6) . .
C1 C4 S1 120.3(6) . .
N3 C5 C6 121.6(8) . .
N3 C5 S1 118.9(5) . .
C6 C5 S1 119.5(6) . .
N4 C6 C5 121.7(8) . .
N4 C6 H6 119.1 . .
C5 C6 H6 119.1 . .
N4 C7 C8 120.6(8) . .
N4 C7 H7 119.7 . .
C8 C7 H7 119.7 . .
N3 C8 C7 122.5(7) . .
N3 C8 S2 120.1(6) . .
C7 C8 S2 117.0(6) . .
N5 C9 C10 121.6(8) . .
N5 C9 S2 112.8(7) . .
C10 C9 S2 125.3(7) . .
N6 C10 C9 122.7(9) . .
N6 C10 H10 118.6 . .
C9 C10 H10 118.6 . .
C12 C11 N6 122.7(9) . .
C12 C11 H11 118.6 . .
N6 C11 H11 118.6 . .
N5 C12 C11 121.8(9) . .
N5 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
N7 C13 C14 122.0(8) . .
N7 C13 H13 119.0 . .
C14 C13 H13 119.0 . .
N8 C14 C13 122.7(7) . .
N8 C14 H14 118.6 . .
C13 C14 H14 118.6 . .
N8 C15 C16 122.5(7) . .
N8 C15 H15 118.8 . .
C16 C15 H15 118.8 . .
N7 C16 C15 121.1(7) . .
N7 C16 S3 118.0(5) . .
C15 C16 S3 120.9(6) . .
N9 C17 C18 122.8(8) . .
N9 C17 S3 120.3(6) . .
C18 C17 S3 116.8(7) . .
N10 C18 C17 120.4(8) . .
N10 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
N10 C19 C20 122.5(8) . .
N10 C19 H19 118.8 . .
C20 C19 H19 118.8 . .
N9 C20 C19 122.0(8) . .
N9 C20 S4 121.1(6) . .
C19 C20 S4 116.8(7) . .
N11 C21 C22 123.1(9) . .
N11 C21 S4 114.9(6) . .
C22 C21 S4 121.3(7) . .
N12 C22 C21 121.7(8) . .
N12 C22 H22 119.1 . .
C21 C22 H22 119.1 . .
N12 C23 C24 121.3(8) . .
N12 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
N11 C24 C23 121.7(8) . .
N11 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
C26 C25 N13 121.1(7) . .
C26 C25 H25 119.4 . .
N13 C25 H25 119.4 . .
N14 C26 C25 122.4(8) . .
N14 C26 H26 118.8 . .
C25 C26 H26 118.8 . .
N14 C27 C28 121.1(7) . .
N14 C27 H27 119.5 . .
C28 C27 H27 119.5 . .
N13 C28 C27 122.5(7) . .
N13 C28 S5 115.3(6) . .
C27 C28 S5 121.8(6) . .
N15 C29 C30 122.1(8) . .
N15 C29 S5 120.2(5) . .
C30 C29 S5 117.7(7) . .
N16 C30 C29 121.1(9) . .
N16 C30 H30 119.4 . .
C29 C30 H30 119.4 . .
N16 C31 C32 121.2(8) . .
N16 C31 H31 119.4 . .
C32 C31 H31 119.4 . .
N15 C32 C31 122.0(7) . .
N15 C32 S6 119.4(5) . .
C31 C32 S6 118.6(6) . .
N17 C33 C34 123.2(7) . .
N17 C33 S6 117.0(6) . .
C34 C33 S6 119.8(6) . .
N18 C34 C33 121.8(7) . .
N18 C34 H34 119.1 . .
C33 C34 H34 119.1 . .
N18 C35 C36 120.2(7) . .
N18 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
N17 C36 C35 123.3(8) . .
N17 C36 H36 118.3 . .
C35 C36 H36 118.3 . .
C2 N1 C1 115.6(7) . .
C2 N1 Ag1 121.3(5) . .
C1 N1 Ag1 122.9(5) . .
C4 N2 C3 117.0(7) . .
C8 N3 C5 116.4(6) . .
C6 N4 C7 116.9(7) . .
C9 N5 C12 116.2(9) . .
C9 N5 Ag1 118.5(6) . 1_545
C12 N5 Ag1 124.5(6) . 1_545
C10 N6 C11 114.9(8) . .
C13 N7 C16 116.2(7) . .
C13 N7 Ag1 128.9(6) . .
C16 N7 Ag1 114.8(5) . .
C14 N8 C15 115.6(7) . .
C17 N9 C20 115.7(6) . .
C19 N10 C18 116.5(7) . .
C21 N11 C24 115.8(8) . .
C22 N12 C23 116.3(7) . .
C22 N12 Ag2 113.1(6) . .
C23 N12 Ag2 120.9(6) . .
C28 N13 C25 115.4(7) . .
C28 N13 Ag2 116.8(5) . .
C25 N13 Ag2 126.8(5) . .
C27 N14 C26 117.4(8) . .
C32 N15 C29 116.0(6) . .
C30 N16 C31 117.4(7) . .
C33 N17 C36 114.9(7) . .
C34 N18 C35 116.5(7) . .
C34 N18 Ag2 119.6(5) . 1_545
C35 N18 Ag2 123.5(5) . 1_545
H1A O1W H1B 107(3) . .
H2A O2W H2B 106(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.216(7) .
Ag1 N5 2.339(8) 1_565
Ag1 N7 2.351(6) .
Ag2 N18 2.210(7) 1_565
Ag2 N13 2.251(7) .
Ag2 N12 2.459(7) .
Cl1 O1 1.341(9) .
Cl1 O3 1.377(14) .
Cl1 O2 1.377(10) .
Cl1 O4 1.405(8) .
Cl2 O6 1.385(8) .
Cl2 O5 1.397(9) .
Cl2 O8 1.411(8) .
Cl2 O7 1.439(9) .
S1 C5 1.766(8) .
S1 C4 1.773(7) .
S2 C8 1.769(8) .
S2 C9 1.779(9) .
S3 C16 1.776(7) .
S3 C17 1.779(9) .
S4 C20 1.771(9) .
S4 C21 1.789(9) .
S5 C29 1.771(8) .
S5 C28 1.772(8) .
S6 C32 1.774(8) .
S6 C33 1.784(7) .
C1 N1 1.348(10) .
C1 C4 1.385(11) .
C1 H1 0.9300 .
C2 N1 1.333(11) .
C2 C3 1.380(12) .
C2 H2 0.9300 .
C3 N2 1.331(10) .
C3 H3 0.9300 .
C4 N2 1.329(10) .
C5 N3 1.335(10) .
C5 C6 1.392(10) .
C6 N4 1.330(12) .
C6 H6 0.9300 .
C7 N4 1.345(12) .
C7 C8 1.394(10) .
C7 H7 0.9300 .
C8 N3 1.328(10) .
C9 N5 1.332(11) .
C9 C10 1.377(14) .
C10 N6 1.334(12) .
C10 H10 0.9300 .
C11 C12 1.350(15) .
C11 N6 1.359(12) .
C11 H11 0.9300 .
C12 N5 1.350(12) .
C12 H12 0.9300 .
C13 N7 1.325(10) .
C13 C14 1.383(12) .
C13 H13 0.9300 .
C14 N8 1.323(12) .
C14 H14 0.9300 .
C15 N8 1.329(10) .
C15 C16 1.395(10) .
C15 H15 0.9300 .
C16 N7 1.341(10) .
C17 N9 1.319(10) .
C17 C18 1.397(11) .
C18 N10 1.338(13) .
C18 H18 0.9300 .
C19 N10 1.320(12) .
C19 C20 1.374(11) .
C19 H19 0.9300 .
C20 N9 1.333(10) .
C21 N11 1.322(11) .
C21 C22 1.371(11) .
C22 N12 1.329(11) .
C22 H22 0.9300 .
C23 N12 1.344(12) .
C23 C24 1.391(13) .
C23 H23 0.9300 .
C24 N11 1.339(11) .
C24 H24 0.9300 .
C25 C26 1.363(13) .
C25 N13 1.372(10) .
C25 H25 0.9300 .
C26 N14 1.330(11) .
C26 H26 0.9300 .
C27 N14 1.318(11) .
C27 C28 1.390(13) .
C27 H27 0.9300 .
C28 N13 1.329(10) .
C29 N15 1.339(11) .
C29 C30 1.387(10) .
C30 N16 1.318(12) .
C30 H30 0.9300 .
C31 N16 1.333(12) .
C31 C32 1.385(10) .
C31 H31 0.9300 .
C32 N15 1.328(9) .
C33 N17 1.324(10) .
C33 C34 1.379(11) .
C34 N18 1.327(9) .
C34 H34 0.9300 .
C35 N18 1.363(10) .
C35 C36 1.377(13) .
C35 H35 0.9300 .
C36 N17 1.349(10) .
C36 H36 0.9300 .
N5 Ag1 2.339(8) 1_545
N18 Ag2 2.210(7) 1_545
O1W H1A 0.898(19) .
O1W H1B 0.905(18) .
O2W H2A 0.90(2) .
O2W H2B 0.91(2) .
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
_geom_torsion_site_symmetry_4
N1 C2 C3 N2 -0.2(13) . .
N1 C1 C4 N2 -1.3(12) . .
N1 C1 C4 S1 180.0(6) . .
C5 S1 C4 N2 -78.7(7) . .
C5 S1 C4 C1 100.1(7) . .
C4 S1 C5 N3 0.9(7) . .
C4 S1 C5 C6 178.2(7) . .
N3 C5 C6 N4 -6.6(13) . .
S1 C5 C6 N4 176.1(7) . .
N4 C7 C8 N3 -3.4(13) . .
N4 C7 C8 S2 169.6(7) . .
C9 S2 C8 N3 -25.8(8) . .
C9 S2 C8 C7 161.1(6) . .
C8 S2 C9 N5 146.7(6) . .
C8 S2 C9 C10 -39.0(8) . .
N5 C9 C10 N6 -0.5(13) . .
S2 C9 C10 N6 -174.4(6) . .
N6 C11 C12 N5 0.5(17) . .
N7 C13 C14 N8 -1.0(16) . .
N8 C15 C16 N7 -2.3(13) . .
N8 C15 C16 S3 179.9(7) . .
C17 S3 C16 N7 105.9(6) . .
C17 S3 C16 C15 -76.3(7) . .
C16 S3 C17 N9 -15.7(7) . .
C16 S3 C17 C18 167.7(6) . .
N9 C17 C18 N10 -3.6(13) . .
S3 C17 C18 N10 172.9(7) . .
N10 C19 C20 N9 -4.4(14) . .
N10 C19 C20 S4 -179.6(7) . .
C21 S4 C20 N9 19.1(7) . .
C21 S4 C20 C19 -165.7(7) . .
C20 S4 C21 N11 -132.4(7) . .
C20 S4 C21 C22 57.2(8) . .
N11 C21 C22 N12 1.0(14) . .
S4 C21 C22 N12 170.5(7) . .
N12 C23 C24 N11 -3.2(15) . .
N13 C25 C26 N14 -0.5(13) . .
N14 C27 C28 N13 -1.3(12) . .
N14 C27 C28 S5 171.5(6) . .
C29 S5 C28 N13 -129.8(6) . .
C29 S5 C28 C27 57.0(7) . .
C28 S5 C29 N15 16.2(8) . .
C28 S5 C29 C30 -167.0(7) . .
N15 C29 C30 N16 2.9(14) . .
S5 C29 C30 N16 -173.8(8) . .
N16 C31 C32 N15 4.0(13) . .
N16 C31 C32 S6 -177.1(7) . .
C33 S6 C32 N15 -0.4(7) . .
C33 S6 C32 C31 -179.4(7) . .
C32 S6 C33 N17 88.4(6) . .
C32 S6 C33 C34 -93.4(6) . .
N17 C33 C34 N18 0.0(12) . .
S6 C33 C34 N18 -178.1(6) . .
N18 C35 C36 N17 0.0(13) . .
C3 C2 N1 C1 -0.2(12) . .
C3 C2 N1 Ag1 -175.3(6) . .
C4 C1 N1 C2 0.9(11) . .
C4 C1 N1 Ag1 175.9(6) . .
N5 Ag1 N1 C2 -120.0(6) 1_565 .
N7 Ag1 N1 C2 65.7(7) . .
N5 Ag1 N1 C1 65.3(7) 1_565 .
N7 Ag1 N1 C1 -109.0(6) . .
C1 C4 N2 C3 0.8(11) . .
S1 C4 N2 C3 179.6(6) . .
C2 C3 N2 C4 -0.1(12) . .
C7 C8 N3 C5 -1.3(11) . .
S2 C8 N3 C5 -174.1(6) . .
C6 C5 N3 C8 6.1(11) . .
S1 C5 N3 C8 -176.6(6) . .
C5 C6 N4 C7 1.7(12) . .
C8 C7 N4 C6 3.1(12) . .
C10 C9 N5 C12 -0.2(12) . .
S2 C9 N5 C12 174.4(7) . .
C10 C9 N5 Ag1 -170.4(6) . 1_545
S2 C9 N5 Ag1 4.2(8) . 1_545
C11 C12 N5 C9 0.1(15) . .
C11 C12 N5 Ag1 169.8(8) . 1_545
C9 C10 N6 C11 1.1(12) . .
C12 C11 N6 C10 -1.1(14) . .
C14 C13 N7 C16 0.3(13) . .
C14 C13 N7 Ag1 -174.5(7) . .
C15 C16 N7 C13 1.3(12) . .
S3 C16 N7 C13 179.2(7) . .
C15 C16 N7 Ag1 176.8(6) . .
S3 C16 N7 Ag1 -5.3(8) . .
N1 Ag1 N7 C13 -102.0(8) . .
N5 Ag1 N7 C13 82.4(8) 1_565 .
N1 Ag1 N7 C16 83.2(6) . .
N5 Ag1 N7 C16 -92.5(6) 1_565 .
C13 C14 N8 C15 0.1(14) . .
C16 C15 N8 C14 1.5(13) . .
C18 C17 N9 C20 2.9(11) . .
S3 C17 N9 C20 -173.4(6) . .
C19 C20 N9 C17 0.9(11) . .
S4 C20 N9 C17 175.9(6) . .
C20 C19 N10 C18 3.7(13) . .
C17 C18 N10 C19 0.1(13) . .
C22 C21 N11 C24 -2.7(13) . .
S4 C21 N11 C24 -172.8(7) . .
C23 C24 N11 C21 3.7(14) . .
C21 C22 N12 C23 -0.2(13) . .
C21 C22 N12 Ag2 -146.6(7) . .
C24 C23 N12 C22 1.3(13) . .
C24 C23 N12 Ag2 144.9(8) . .
N18 Ag2 N12 C22 95.3(6) 1_565 .
N13 Ag2 N12 C22 -102.8(6) . .
N18 Ag2 N12 C23 -49.4(8) 1_565 .
N13 Ag2 N12 C23 112.6(7) . .
C27 C28 N13 C25 2.3(11) . .
S5 C28 N13 C25 -170.9(5) . .
C27 C28 N13 Ag2 171.9(6) . .
S5 C28 N13 Ag2 -1.3(7) . .
C26 C25 N13 C28 -1.4(11) . .
C26 C25 N13 Ag2 -169.8(6) . .
N18 Ag2 N13 C28 74.7(7) 1_565 .
N12 Ag2 N13 C28 -74.0(5) . .
N18 Ag2 N13 C25 -117.1(7) 1_565 .
N12 Ag2 N13 C25 94.3(6) . .
C28 C27 N14 C26 -0.8(12) . .
C25 C26 N14 C27 1.6(13) . .
C31 C32 N15 C29 -2.4(11) . .
S6 C32 N15 C29 178.7(6) . .
C30 C29 N15 C32 -0.9(12) . .
S5 C29 N15 C32 175.7(6) . .
C29 C30 N16 C31 -1.3(14) . .
C32 C31 N16 C30 -2.0(13) . .
C34 C33 N17 C36 1.2(11) . .
S6 C33 N17 C36 179.4(6) . .
C35 C36 N17 C33 -1.2(12) . .
C33 C34 N18 C35 -1.3(11) . .
C33 C34 N18 Ag2 171.7(5) . 1_545
C36 C35 N18 C34 1.3(11) . .
C36 C35 N18 Ag2 -171.4(6) . 1_545
