Bis[μ-1,2-bis-(1H-imidazol-1-ylmethyl)benzene-κN:N]disilver(I) bis-(4-amino-2,5-dichloro-benzene-sulfonate) tetra-hydrate.

The asymmetric unit of the title compound, [Ag(2)(C(14)H(14)N(4))(2)](C(6)H(4)Cl(2)NO(3)S)(2)·4H(2)O, contains one-half of each of two independent dicationic units, two 4-amino-2,5-dichloro-benzene-sulfonate anions and four water mol-ecules. Each centrosymmetric dicationic unit has a dinuclear structure in which two Ag(I) atoms are bridged by two 1,2-bis-(1H-imidazol-1-yl-meth-yl)benzene ligands in a slightly distorted linear coordination geometry. The 4-amino-2,5-dichloro-benzene-sulfonate anion does not coordinate with the Ag(I) center, acting only as a counteranion. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds form a three-dimensional network.

Related literature

For related literature, see: Aakeröy & Beatty (1998 ▶); Cote & Shimizu (2004 ▶); Feazell et al. (2006 ▶); Li et al. (2006 ▶); Liu et al. (2007 ▶); Ma et al. (2005 ▶).

Experimental

Crystal data

[Ag2(C14H14N4)2](C6H4Cl2NO3S)2·4H2O

M = 1246.51

Triclinic,

a = 11.732 (6) Å

b = 14.598 (6) Å

c = 15.718 (6) Å

α = 79.068 (12)°

β = 72.843 (19)°

γ = 70.991 (17)°

V = 2418.8 (18) Å3

Z = 2

Mo Kα radiation

μ = 1.18 mm−1

T = 293 (2) K

0.35 × 0.25 × 0.24 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.716, T max = 0.753

19762 measured reflections

10576 independent reflections

6897 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.152

S = 0.96

10576 reflections

649 parameters

13 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.92 e Å−3

Δρmin = −0.36 e Å−3

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL-Plus (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808023052/ci2638sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808023052/ci2638Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Ag2(C14H14N4)2](C6H4Cl2N1O3S)2·4H2O	Z = 2
Mr = 1246.51	F000 = 1256
Triclinic, P1	Dx = 1.712 Mg m−3
Hall symbol: -P 1	Mo Kα radiation λ = 0.71069 Å
a = 11.732 (6) Å	Cell parameters from 10576 reflections
b = 14.598 (6) Å	θ = 3.0–27.5º
c = 15.718 (6) Å	µ = 1.18 mm−1
α = 79.068 (12)º	T = 293 (2) K
β = 72.843 (19)º	Block, colourless
γ = 70.991 (17)º	0.35 × 0.25 × 0.24 mm
V = 2418.8 (18) Å3

Rigaku R-AXIS RAPID diffractometer	10576 independent reflections
Radiation source: fine-focus sealed tube	6897 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.023
Detector resolution: 10.0 pixels mm-1	θmax = 27.5º
T = 293(2) K	θmin = 3.0º
ω scans	h = −15→15
Absorption correction: multi-scan(ABSCOR; Higashi, 1995)	k = −18→18
Tmin = 0.716, Tmax = 0.753	l = −20→19
19762 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.044	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.152	w = 1/[σ2(Fo2) + (0.0975P)2] where P = (Fo2 + 2Fc2)/3
S = 0.96	(Δ/σ)max = 0.002
10576 reflections	Δρmax = 0.92 e Å−3
649 parameters	Δρmin = −0.36 e Å−3
13 restraints	Extinction correction: none
Primary atom site location: structure-invariant direct methods

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
C1	0.8198 (3)	0.6791 (2)	0.2186 (2)	0.0354 (7)
C2	0.7330 (3)	0.7577 (2)	0.1876 (2)	0.0366 (7)
H2	0.7202	0.7590	0.1317	0.044*
C3	0.6652 (3)	0.8340 (2)	0.2383 (2)	0.0388 (7)
C4	0.6792 (4)	0.8342 (2)	0.3238 (2)	0.0438 (8)
C5	0.7666 (3)	0.7540 (2)	0.3548 (2)	0.0427 (8)
H5	0.7784	0.7516	0.4113	0.051*
C6	0.8349 (3)	0.6793 (2)	0.3037 (2)	0.0356 (7)
C7	0.3133 (4)	0.2224 (2)	0.3052 (2)	0.0443 (8)
C8	0.1970 (4)	0.2875 (2)	0.3230 (2)	0.0475 (9)
C9	0.1282 (4)	0.3219 (3)	0.2605 (2)	0.0480 (9)
H9	0.0505	0.3674	0.2751	0.058*
C10	0.1729 (4)	0.2898 (3)	0.1759 (2)	0.0474 (9)
C11	0.2901 (4)	0.2236 (2)	0.1576 (2)	0.0470 (9)
C12	0.3595 (4)	0.1902 (2)	0.2207 (3)	0.0458 (8)
H12	0.4380	0.1457	0.2062	0.055*
C13	0.4409 (4)	0.3953 (3)	0.8315 (3)	0.0484 (9)
H13	0.3734	0.4511	0.8355	0.058*
C14	0.5857 (4)	0.2737 (3)	0.8637 (3)	0.0601 (11)
H14	0.6393	0.2289	0.8953	0.072*
C15	0.5879 (4)	0.2697 (3)	0.7782 (3)	0.0538 (10)
H15	0.6413	0.2227	0.7406	0.065*
C16	0.2850 (4)	0.5007 (3)	1.1974 (3)	0.0592 (11)
H16	0.2168	0.5300	1.1731	0.071*
C17	0.2902 (4)	0.5130 (3)	1.2789 (3)	0.0562 (10)
H17	0.2282	0.5513	1.3207	0.067*
C18	0.4640 (4)	0.4143 (3)	1.2125 (3)	0.0525 (9)
H18	0.5443	0.3719	1.2019	0.063*
C19	0.4582 (5)	0.4438 (3)	1.3650 (3)	0.0597 (12)
H19A	0.5467	0.4372	1.3440	0.072*
H19B	0.4481	0.3839	1.4012	0.072*
C20	0.6035 (4)	0.4727 (3)	0.5778 (2)	0.0473 (9)
C21	0.7006 (5)	0.4807 (4)	0.5034 (3)	0.0672 (13)
H21	0.7272	0.5363	0.4912	0.081*
C22	0.7575 (5)	0.4091 (5)	0.4482 (3)	0.0814 (17)
H22	0.8223	0.4163	0.3988	0.098*
C23	0.7203 (5)	0.3264 (5)	0.4645 (3)	0.0805 (16)
H23	0.7600	0.2772	0.4268	0.097*
C24	0.6223 (5)	0.3165 (3)	0.5383 (3)	0.0597 (11)
H24	0.5958	0.2609	0.5494	0.072*
C25	0.5645 (4)	0.3890 (3)	0.5949 (2)	0.0426 (8)
C26	0.4588 (4)	0.3750 (3)	0.6729 (2)	0.0513 (9)
H26A	0.3906	0.4347	0.6767	0.062*
H26B	0.4293	0.3241	0.6629	0.062*
C27	0.9272 (5)	0.2163 (3)	0.6345 (3)	0.0624 (11)
H27	0.8772	0.2668	0.6042	0.075*
C28	0.9248 (4)	0.2116 (3)	0.7213 (3)	0.0602 (11)
H28	0.8742	0.2564	0.7616	0.072*
C29	1.0624 (4)	0.0856 (3)	0.6622 (3)	0.0555 (10)
H29	1.1252	0.0270	0.6561	0.067*
C30	1.2267 (4)	−0.0007 (3)	0.2968 (3)	0.0548 (10)
H30	1.2907	−0.0338	0.3246	0.066*
C31	1.2282 (4)	−0.0092 (3)	0.2127 (3)	0.0529 (9)
H31	1.2920	−0.0478	0.1721	0.064*
C32	1.0534 (4)	0.0933 (3)	0.2743 (3)	0.0556 (10)
H32	0.9746	0.1379	0.2823	0.067*
C33	1.0740 (5)	0.0685 (3)	0.1172 (3)	0.0587 (11)
H33A	1.1058	0.1188	0.0771	0.070*
H33B	0.9837	0.0920	0.1323	0.070*
C34	0.8843 (4)	0.0216 (3)	0.9298 (2)	0.0479 (9)
C35	0.7849 (5)	0.0306 (4)	1.0058 (3)	0.0628 (12)
H35	0.7457	−0.0184	1.0247	0.075*
C36	0.7438 (5)	0.1089 (4)	1.0529 (3)	0.0759 (14)
H36	0.6781	0.1127	1.1039	0.091*
C37	0.7994 (6)	0.1817 (4)	1.0251 (3)	0.0802 (15)
H37	0.7705	0.2360	1.0567	0.096*
C38	0.8985 (5)	0.1757 (4)	0.9501 (3)	0.0682 (13)
H38	0.9360	0.2257	0.9318	0.082*
C39	0.9421 (4)	0.0953 (3)	0.9020 (2)	0.0525 (10)
C40	1.0505 (4)	0.0916 (4)	0.8221 (3)	0.0634 (12)
H40A	1.0991	0.1308	0.8293	0.076*
H40B	1.1034	0.0249	0.8190	0.076*
N1	1.1171 (3)	0.0505 (2)	0.1992 (2)	0.0470 (7)
N2	1.1180 (4)	0.0633 (3)	0.3353 (2)	0.0544 (8)
N3	1.0130 (4)	0.1370 (3)	0.5975 (2)	0.0584 (9)
N4	1.0121 (3)	0.1272 (2)	0.7374 (2)	0.0509 (8)
N5	0.1005 (4)	0.3204 (3)	0.1159 (3)	0.0668 (11)
H5A	0.041 (4)	0.371 (3)	0.130 (4)	0.100*
H5B	0.140 (6)	0.309 (4)	0.066 (4)	0.100*
N6	0.6122 (5)	0.9084 (3)	0.3745 (3)	0.0742 (13)
H6A	0.622 (6)	0.912 (4)	0.424 (3)	0.111*
H6B	0.580 (6)	0.960 (3)	0.351 (4)	0.111*
N7	0.4956 (3)	0.3487 (2)	0.75842 (19)	0.0425 (7)
N8	0.4938 (3)	0.3527 (2)	0.8973 (2)	0.0516 (8)
N9	0.3948 (3)	0.4387 (2)	1.1558 (2)	0.0516 (8)
N10	0.4063 (3)	0.4572 (2)	1.2871 (2)	0.0457 (7)
O1	0.4075 (4)	0.2441 (2)	0.4284 (2)	0.0799 (11)
O2	0.5249 (3)	0.1193 (2)	0.3297 (2)	0.0792 (10)
O1W	0.2170 (4)	0.5412 (3)	0.9721 (2)	0.0832 (11)
H1A	0.169 (7)	0.563 (5)	1.016 (4)	0.125*
H1B	0.178 (6)	0.515 (4)	0.953 (4)	0.125*
O3	0.3444 (3)	0.1006 (2)	0.4441 (2)	0.0727 (10)
O2W	0.7688 (5)	0.3506 (4)	0.1994 (4)	0.1072 (15)
H2A	0.810 (8)	0.375 (6)	0.216 (5)	0.161*
H2B	0.794 (8)	0.356 (6)	0.144 (2)	0.161*
O4	1.0322 (3)	0.5854 (3)	0.1273 (2)	0.0742 (9)
O3W	0.7592 (4)	0.1554 (4)	0.2732 (4)	0.1118 (16)
H3A	0.691 (5)	0.145 (5)	0.285 (6)	0.168*
H3B	0.746 (7)	0.214 (3)	0.254 (5)	0.168*
O5	0.8507 (3)	0.6085 (2)	0.07362 (17)	0.0578 (7)
O4W	0.2819 (6)	0.9250 (4)	0.5166 (4)	0.1301 (19)
H4A	0.299 (8)	0.963 (6)	0.542 (6)	0.195*
H4B	0.354 (5)	0.902 (7)	0.480 (5)	0.195*
O6	0.8852 (3)	0.49480 (18)	0.2017 (2)	0.0645 (8)
S1	0.40489 (11)	0.16866 (7)	0.38332 (8)	0.0534 (3)
S2	0.90401 (9)	0.58453 (7)	0.15024 (6)	0.0444 (2)
Ag1	0.44041 (4)	0.40061 (3)	1.02509 (2)	0.06083 (13)
Ag2	1.06711 (4)	0.09945 (3)	0.46655 (2)	0.06964 (14)
Cl1	0.94358 (9)	0.58423 (6)	0.34728 (6)	0.0462 (2)
Cl2	0.55802 (10)	0.93124 (7)	0.19615 (7)	0.0550 (3)
Cl3	0.12837 (12)	0.33250 (8)	0.42796 (7)	0.0687 (3)
Cl4	0.35254 (12)	0.17913 (8)	0.05280 (7)	0.0663 (3)

	U11	U22	U33	U12	U13	U23
C1	0.0315 (18)	0.0399 (16)	0.0357 (15)	−0.0105 (14)	−0.0085 (13)	−0.0052 (14)
C2	0.0325 (18)	0.0433 (17)	0.0334 (15)	−0.0118 (14)	−0.0083 (13)	−0.0006 (14)
C3	0.0345 (19)	0.0360 (16)	0.0422 (17)	−0.0089 (14)	−0.0091 (14)	0.0014 (15)
C4	0.049 (2)	0.0370 (16)	0.0439 (18)	−0.0071 (15)	−0.0124 (16)	−0.0087 (15)
C5	0.048 (2)	0.0433 (17)	0.0387 (17)	−0.0096 (16)	−0.0154 (16)	−0.0070 (15)
C6	0.0338 (18)	0.0354 (15)	0.0388 (16)	−0.0109 (13)	−0.0118 (14)	−0.0005 (14)
C7	0.054 (2)	0.0309 (15)	0.049 (2)	−0.0136 (15)	−0.0180 (17)	0.0035 (15)
C8	0.057 (2)	0.0329 (16)	0.0454 (19)	−0.0040 (16)	−0.0121 (17)	−0.0037 (15)
C9	0.052 (2)	0.0379 (17)	0.0407 (18)	0.0017 (16)	−0.0082 (17)	−0.0048 (15)
C10	0.055 (2)	0.0391 (17)	0.0422 (18)	−0.0104 (17)	−0.0107 (17)	0.0027 (16)
C11	0.059 (3)	0.0356 (16)	0.0442 (19)	−0.0200 (17)	−0.0040 (17)	−0.0021 (15)
C12	0.046 (2)	0.0318 (16)	0.053 (2)	−0.0083 (15)	−0.0046 (17)	−0.0069 (16)
C13	0.042 (2)	0.0469 (19)	0.048 (2)	−0.0110 (16)	−0.0016 (17)	−0.0048 (17)
C14	0.064 (3)	0.058 (2)	0.048 (2)	−0.006 (2)	−0.017 (2)	0.0007 (19)
C15	0.058 (3)	0.049 (2)	0.0436 (19)	−0.0066 (18)	−0.0071 (18)	−0.0067 (17)
C16	0.053 (3)	0.080 (3)	0.055 (2)	−0.019 (2)	−0.022 (2)	−0.017 (2)
C17	0.048 (2)	0.076 (3)	0.052 (2)	−0.018 (2)	−0.0129 (19)	−0.022 (2)
C18	0.056 (3)	0.050 (2)	0.057 (2)	−0.0168 (19)	−0.019 (2)	−0.0073 (19)
C19	0.088 (3)	0.047 (2)	0.060 (2)	−0.021 (2)	−0.043 (2)	0.0001 (19)
C20	0.059 (3)	0.057 (2)	0.0376 (17)	−0.0276 (19)	−0.0206 (17)	0.0026 (17)
C21	0.079 (3)	0.100 (3)	0.041 (2)	−0.059 (3)	−0.018 (2)	0.011 (2)
C22	0.065 (3)	0.144 (5)	0.043 (2)	−0.049 (4)	−0.009 (2)	−0.001 (3)
C23	0.081 (4)	0.110 (4)	0.047 (2)	−0.012 (3)	−0.015 (2)	−0.030 (3)
C24	0.073 (3)	0.060 (2)	0.051 (2)	−0.020 (2)	−0.017 (2)	−0.013 (2)
C25	0.048 (2)	0.0498 (19)	0.0366 (16)	−0.0219 (17)	−0.0159 (16)	0.0032 (16)
C26	0.051 (2)	0.064 (2)	0.0449 (19)	−0.026 (2)	−0.0159 (18)	0.0026 (18)
C27	0.075 (3)	0.061 (2)	0.049 (2)	−0.020 (2)	−0.017 (2)	0.004 (2)
C28	0.063 (3)	0.064 (3)	0.047 (2)	−0.020 (2)	−0.005 (2)	−0.001 (2)
C29	0.054 (3)	0.058 (2)	0.053 (2)	−0.020 (2)	−0.0076 (19)	−0.004 (2)
C30	0.056 (3)	0.056 (2)	0.055 (2)	−0.0096 (19)	−0.022 (2)	−0.0115 (19)
C31	0.051 (3)	0.057 (2)	0.053 (2)	−0.0085 (19)	−0.0183 (19)	−0.0155 (18)
C32	0.050 (3)	0.062 (2)	0.058 (2)	−0.017 (2)	−0.015 (2)	−0.013 (2)
C33	0.074 (3)	0.057 (2)	0.054 (2)	−0.021 (2)	−0.033 (2)	0.0028 (19)
C34	0.049 (2)	0.064 (2)	0.0389 (17)	−0.0257 (19)	−0.0177 (17)	0.0020 (17)
C35	0.064 (3)	0.086 (3)	0.047 (2)	−0.035 (3)	−0.016 (2)	0.002 (2)
C36	0.071 (4)	0.108 (4)	0.047 (2)	−0.024 (3)	−0.010 (2)	−0.013 (3)
C37	0.102 (5)	0.089 (4)	0.058 (3)	−0.020 (3)	−0.031 (3)	−0.025 (3)
C38	0.089 (4)	0.076 (3)	0.060 (3)	−0.042 (3)	−0.034 (3)	0.002 (2)
C39	0.060 (3)	0.069 (2)	0.0423 (19)	−0.031 (2)	−0.0258 (18)	0.0057 (19)
C40	0.054 (3)	0.096 (3)	0.051 (2)	−0.039 (2)	−0.017 (2)	0.006 (2)
N1	0.052 (2)	0.0457 (16)	0.0515 (17)	−0.0198 (15)	−0.0194 (15)	−0.0032 (14)
N2	0.062 (2)	0.060 (2)	0.0488 (18)	−0.0249 (18)	−0.0172 (17)	−0.0071 (16)
N3	0.070 (3)	0.0564 (19)	0.0496 (19)	−0.0232 (18)	−0.0090 (17)	−0.0071 (17)
N4	0.050 (2)	0.0619 (19)	0.0448 (17)	−0.0266 (17)	−0.0124 (15)	0.0048 (16)
N5	0.071 (3)	0.068 (2)	0.0485 (19)	0.001 (2)	−0.023 (2)	−0.0029 (19)
N6	0.100 (3)	0.0504 (19)	0.061 (2)	0.016 (2)	−0.036 (2)	−0.0224 (18)
N7	0.0403 (18)	0.0440 (15)	0.0406 (15)	−0.0167 (13)	−0.0046 (13)	0.0010 (13)
N8	0.058 (2)	0.0554 (18)	0.0439 (16)	−0.0223 (16)	−0.0093 (15)	−0.0044 (15)
N9	0.058 (2)	0.0583 (19)	0.0448 (17)	−0.0223 (17)	−0.0136 (16)	−0.0088 (15)
N10	0.055 (2)	0.0435 (15)	0.0468 (16)	−0.0206 (15)	−0.0211 (15)	−0.0006 (14)
O1	0.116 (3)	0.0512 (16)	0.099 (2)	−0.0303 (18)	−0.061 (2)	−0.0044 (17)
O2	0.059 (2)	0.0723 (19)	0.103 (3)	−0.0016 (17)	−0.033 (2)	−0.0103 (19)
O1W	0.067 (3)	0.118 (3)	0.067 (2)	−0.034 (2)	0.0094 (17)	−0.043 (2)
O3	0.098 (3)	0.0560 (16)	0.077 (2)	−0.0340 (17)	−0.046 (2)	0.0235 (16)
O2W	0.092 (3)	0.108 (3)	0.131 (4)	−0.050 (3)	−0.020 (3)	−0.010 (3)
O4	0.0386 (18)	0.113 (3)	0.0653 (18)	−0.0073 (17)	−0.0007 (14)	−0.0401 (18)
O3W	0.069 (3)	0.094 (3)	0.165 (5)	−0.008 (2)	−0.041 (3)	−0.005 (3)
O5	0.067 (2)	0.0644 (16)	0.0407 (13)	−0.0052 (14)	−0.0208 (13)	−0.0158 (12)
O4W	0.188 (6)	0.085 (3)	0.127 (4)	−0.043 (4)	−0.051 (4)	−0.010 (3)
O6	0.095 (2)	0.0394 (13)	0.0644 (17)	−0.0098 (14)	−0.0358 (17)	−0.0090 (13)
S1	0.0593 (7)	0.0375 (4)	0.0692 (6)	−0.0130 (4)	−0.0298 (5)	0.0011 (4)
S2	0.0410 (5)	0.0485 (5)	0.0396 (4)	−0.0005 (4)	−0.0116 (4)	−0.0141 (4)
Ag1	0.0758 (3)	0.0704 (2)	0.04346 (17)	−0.03161 (18)	−0.00942 (15)	−0.01273 (15)
Ag2	0.0871 (3)	0.0778 (2)	0.04749 (19)	−0.0295 (2)	−0.01030 (17)	−0.01494 (17)
Cl1	0.0453 (5)	0.0444 (4)	0.0475 (5)	−0.0044 (4)	−0.0209 (4)	−0.0021 (4)
Cl2	0.0497 (6)	0.0453 (5)	0.0618 (6)	0.0019 (4)	−0.0213 (5)	−0.0022 (4)
Cl3	0.0803 (8)	0.0638 (6)	0.0436 (5)	0.0058 (5)	−0.0142 (5)	−0.0120 (5)
Cl4	0.0791 (8)	0.0626 (6)	0.0467 (5)	−0.0158 (6)	0.0014 (5)	−0.0164 (5)

C1—C2	1.382 (4)	C26—H26B	0.97
C1—C6	1.401 (4)	C27—C28	1.345 (6)
C1—S2	1.756 (3)	C27—N3	1.357 (6)
C2—C3	1.377 (5)	C27—H27	0.93
C2—H2	0.93	C28—N4	1.358 (6)
C3—C4	1.402 (5)	C28—H28	0.93
C3—Cl2	1.734 (3)	C29—N3	1.308 (5)
C4—N6	1.353 (5)	C29—N4	1.319 (5)
C4—C5	1.398 (5)	C29—H29	0.93
C5—C6	1.364 (5)	C30—C31	1.346 (6)
C5—H5	0.93	C30—N2	1.360 (6)
C6—Cl1	1.738 (3)	C30—H30	0.93
C7—C8	1.369 (5)	C31—N1	1.363 (5)
C7—C12	1.387 (5)	C31—H31	0.93
C7—S1	1.773 (4)	C32—N2	1.317 (5)
C8—C9	1.373 (5)	C32—N1	1.341 (5)
C8—Cl3	1.756 (4)	C32—H32	0.93
C9—C10	1.388 (5)	C33—N1	1.468 (5)
C9—H9	0.93	C33—C34ii	1.499 (6)
C10—N5	1.371 (5)	C33—H33A	0.97
C10—C11	1.383 (6)	C33—H33B	0.97
C11—C12	1.385 (5)	C34—C39	1.390 (5)
C11—Cl4	1.748 (4)	C34—C35	1.393 (6)
C12—H12	0.93	C34—C33ii	1.499 (6)
C13—N8	1.313 (5)	C35—C36	1.355 (7)
C13—N7	1.331 (5)	C35—H35	0.93
C13—H13	0.93	C36—C37	1.362 (8)
C14—C15	1.350 (6)	C36—H36	0.93
C14—N8	1.362 (6)	C37—C38	1.383 (8)
C14—H14	0.93	C37—H37	0.93
C15—N7	1.359 (5)	C38—C39	1.388 (7)
C15—H15	0.93	C38—H38	0.93
C16—C17	1.349 (6)	C39—C40	1.495 (6)
C16—N9	1.369 (6)	C40—N4	1.478 (5)
C16—H16	0.93	C40—H40A	0.97
C17—N10	1.370 (5)	C40—H40B	0.97
C17—H17	0.93	N2—Ag2	2.092 (3)
C18—N9	1.303 (5)	N3—Ag2	2.090 (4)
C18—N10	1.327 (5)	N5—H5A	0.84 (3)
C18—H18	0.93	N5—H5B	0.81 (6)
C19—N10	1.475 (4)	N6—H6A	0.83 (3)
C19—C20i	1.508 (6)	N6—H6B	0.80 (3)
C19—H19A	0.97	N8—Ag1	2.103 (3)
C19—H19B	0.97	N9—Ag1	2.100 (3)
C20—C21	1.387 (6)	O1—S1	1.430 (3)
C20—C25	1.394 (5)	O2—S1	1.443 (4)
C20—C19i	1.508 (6)	O1W—H1A	0.80 (6)
C21—C22	1.356 (8)	O1W—H1B	0.83 (7)
C21—H21	0.93	O3—S1	1.450 (3)
C22—C23	1.369 (8)	O2W—H2A	0.81 (6)
C22—H22	0.93	O2W—H2B	0.83 (3)
C23—C24	1.395 (7)	O4—S2	1.443 (3)
C23—H23	0.93	O3W—H3A	0.82 (7)
C24—C25	1.381 (6)	O3W—H3B	0.83 (3)
C24—H24	0.93	O5—S2	1.451 (3)
C25—C26	1.502 (5)	O4W—H4A	0.84 (10)
C26—N7	1.476 (4)	O4W—H4B	0.87 (8)
C26—H26A	0.97	O6—S2	1.449 (3)
C2—C1—C6	117.7 (3)	N3—C29—N4	111.7 (4)
C2—C1—S2	118.7 (2)	N3—C29—H29	124.1
C6—C1—S2	123.6 (2)	N4—C29—H29	124.1
C3—C2—C1	121.0 (3)	C31—C30—N2	110.0 (4)
C3—C2—H2	119.5	C31—C30—H30	125.0
C1—C2—H2	119.5	N2—C30—H30	125.0
C2—C3—C4	121.5 (3)	C30—C31—N1	105.9 (4)
C2—C3—Cl2	119.2 (3)	C30—C31—H31	127.1
C4—C3—Cl2	119.3 (3)	N1—C31—H31	127.1
N6—C4—C5	121.0 (3)	N2—C32—N1	110.6 (4)
N6—C4—C3	122.0 (3)	N2—C32—H32	124.7
C5—C4—C3	117.1 (3)	N1—C32—H32	124.7
C6—C5—C4	121.2 (3)	N1—C33—C34ii	112.0 (3)
C6—C5—H5	119.4	N1—C33—H33A	109.2
C4—C5—H5	119.4	C34ii—C33—H33A	109.2
C5—C6—C1	121.6 (3)	N1—C33—H33B	109.2
C5—C6—Cl1	117.6 (2)	C34ii—C33—H33B	109.2
C1—C6—Cl1	120.8 (3)	H33A—C33—H33B	107.9
C8—C7—C12	117.2 (3)	C39—C34—C35	118.6 (4)
C8—C7—S1	125.6 (3)	C39—C34—C33ii	122.9 (4)
C12—C7—S1	117.1 (3)	C35—C34—C33ii	118.5 (4)
C7—C8—C9	122.4 (4)	C36—C35—C34	121.9 (4)
C7—C8—Cl3	121.2 (3)	C36—C35—H35	119.1
C9—C8—Cl3	116.4 (3)	C34—C35—H35	119.1
C8—C9—C10	121.0 (4)	C35—C36—C37	119.5 (5)
C8—C9—H9	119.5	C35—C36—H36	120.2
C10—C9—H9	119.5	C37—C36—H36	120.2
N5—C10—C11	122.6 (4)	C36—C37—C38	120.5 (5)
N5—C10—C9	120.5 (4)	C36—C37—H37	119.7
C11—C10—C9	116.9 (3)	C38—C37—H37	119.7
C10—C11—C12	121.7 (4)	C37—C38—C39	120.3 (4)
C10—C11—Cl4	119.6 (3)	C37—C38—H38	119.8
C12—C11—Cl4	118.6 (3)	C39—C38—H38	119.8
C11—C12—C7	120.8 (4)	C38—C39—C34	119.1 (4)
C11—C12—H12	119.6	C38—C39—C40	118.3 (4)
C7—C12—H12	119.6	C34—C39—C40	122.6 (4)
N8—C13—N7	111.7 (3)	N4—C40—C39	112.6 (3)
N8—C13—H13	124.2	N4—C40—H40A	109.1
N7—C13—H13	124.2	C39—C40—H40A	109.1
C15—C14—N8	110.5 (4)	N4—C40—H40B	109.1
C15—C14—H14	124.8	C39—C40—H40B	109.1
N8—C14—H14	124.8	H40A—C40—H40B	107.8
C14—C15—N7	105.4 (4)	C32—N1—C31	107.6 (3)
C14—C15—H15	127.3	C32—N1—C33	125.1 (4)
N7—C15—H15	127.3	C31—N1—C33	127.3 (4)
C17—C16—N9	110.0 (4)	C32—N2—C30	105.9 (3)
C17—C16—H16	125.0	C32—N2—Ag2	128.8 (3)
N9—C16—H16	125.0	C30—N2—Ag2	125.3 (3)
C16—C17—N10	105.4 (4)	C29—N3—C27	104.9 (4)
C16—C17—H17	127.3	C29—N3—Ag2	124.5 (3)
N10—C17—H17	127.3	C27—N3—Ag2	130.6 (3)
N9—C18—N10	111.9 (4)	C29—N4—C28	107.8 (3)
N9—C18—H18	124.0	C29—N4—C40	125.9 (4)
N10—C18—H18	124.0	C28—N4—C40	126.2 (4)
N10—C19—C20i	112.7 (3)	C10—N5—H5A	112 (4)
N10—C19—H19A	109.1	C10—N5—H5B	113 (4)
C20i—C19—H19A	109.1	H5A—N5—H5B	126 (5)
N10—C19—H19B	109.1	C4—N6—H6A	124 (5)
C20i—C19—H19B	109.1	C4—N6—H6B	120 (5)
H19A—C19—H19B	107.8	H6A—N6—H6B	113 (6)
C21—C20—C25	118.5 (4)	C13—N7—C15	107.5 (3)
C21—C20—C19i	118.8 (4)	C13—N7—C26	126.3 (3)
C25—C20—C19i	122.7 (4)	C15—N7—C26	126.1 (4)
C22—C21—C20	121.5 (4)	C13—N8—C14	104.8 (3)
C22—C21—H21	119.3	C13—N8—Ag1	125.4 (3)
C20—C21—H21	119.3	C14—N8—Ag1	129.8 (3)
C21—C22—C23	120.5 (5)	C18—N9—C16	105.3 (3)
C21—C22—H22	119.7	C18—N9—Ag1	128.8 (3)
C23—C22—H22	119.7	C16—N9—Ag1	125.8 (3)
C22—C23—C24	119.5 (5)	C18—N10—C17	107.4 (3)
C22—C23—H23	120.3	C18—N10—C19	125.5 (4)
C24—C23—H23	120.3	C17—N10—C19	127.1 (4)
C25—C24—C23	120.2 (4)	H1A—O1W—H1B	104 (5)
C25—C24—H24	119.9	H2A—O2W—H2B	104 (6)
C23—C24—H24	119.9	H3A—O3W—H3B	105 (4)
C24—C25—C20	119.9 (4)	H4A—O4W—H4B	101 (4)
C24—C25—C26	118.0 (3)	O1—S1—O2	113.8 (2)
C20—C25—C26	122.1 (4)	O1—S1—O3	112.0 (2)
N7—C26—C25	112.3 (3)	O2—S1—O3	111.8 (2)
N7—C26—H26A	109.1	O1—S1—C7	108.49 (17)
C25—C26—H26A	109.1	O2—S1—C7	104.3 (2)
N7—C26—H26B	109.1	O3—S1—C7	105.73 (18)
C25—C26—H26B	109.1	O4—S2—O6	112.7 (2)
H26A—C26—H26B	107.9	O4—S2—O5	113.29 (19)
C28—C27—N3	110.4 (4)	O6—S2—O5	111.49 (18)
C28—C27—H27	124.8	O4—S2—C1	105.88 (18)
N3—C27—H27	124.8	O6—S2—C1	107.38 (17)
C27—C28—N4	105.2 (4)	O5—S2—C1	105.46 (16)
C27—C28—H28	127.4	N9—Ag1—N8	175.91 (13)
N4—C28—H28	127.4	N3—Ag2—N2	178.95 (15)
C6—C1—C2—C3	1.0 (5)	C33ii—C34—C39—C38	−179.2 (3)
S2—C1—C2—C3	−179.5 (3)	C35—C34—C39—C40	179.1 (4)
C1—C2—C3—C4	−1.5 (5)	C33ii—C34—C39—C40	0.5 (5)
C1—C2—C3—Cl2	179.6 (3)	C38—C39—C40—N4	−95.9 (4)
C2—C3—C4—N6	−179.4 (4)	C34—C39—C40—N4	84.4 (5)
Cl2—C3—C4—N6	−0.5 (6)	N2—C32—N1—C31	−0.5 (5)
C2—C3—C4—C5	0.9 (5)	N2—C32—N1—C33	−178.8 (3)
Cl2—C3—C4—C5	179.8 (3)	C30—C31—N1—C32	0.6 (5)
N6—C4—C5—C6	−179.6 (4)	C30—C31—N1—C33	178.9 (4)
C3—C4—C5—C6	0.1 (5)	C34ii—C33—N1—C32	−145.3 (4)
C4—C5—C6—C1	−0.6 (5)	C34ii—C33—N1—C31	36.7 (6)
C4—C5—C6—Cl1	178.6 (3)	N1—C32—N2—C30	0.2 (5)
C2—C1—C6—C5	0.0 (5)	N1—C32—N2—Ag2	−177.8 (2)
S2—C1—C6—C5	−179.4 (3)	C31—C30—N2—C32	0.2 (5)
C2—C1—C6—Cl1	−179.1 (2)	C31—C30—N2—Ag2	178.3 (3)
S2—C1—C6—Cl1	1.5 (4)	N4—C29—N3—C27	0.6 (5)
C12—C7—C8—C9	−1.1 (5)	N4—C29—N3—Ag2	178.8 (3)
S1—C7—C8—C9	−176.0 (3)	C28—C27—N3—C29	−0.6 (5)
C12—C7—C8—Cl3	179.4 (3)	C28—C27—N3—Ag2	−178.6 (3)
S1—C7—C8—Cl3	4.5 (5)	N3—C29—N4—C28	−0.4 (5)
C7—C8—C9—C10	1.6 (6)	N3—C29—N4—C40	−176.5 (3)
Cl3—C8—C9—C10	−178.9 (3)	C27—C28—N4—C29	0.0 (5)
C8—C9—C10—N5	176.3 (4)	C27—C28—N4—C40	176.1 (4)
C8—C9—C10—C11	−1.3 (6)	C39—C40—N4—C29	−135.6 (4)
N5—C10—C11—C12	−177.1 (4)	C39—C40—N4—C28	49.0 (6)
C9—C10—C11—C12	0.5 (5)	N8—C13—N7—C15	1.5 (4)
N5—C10—C11—Cl4	2.0 (5)	N8—C13—N7—C26	178.6 (3)
C9—C10—C11—Cl4	179.6 (3)	C14—C15—N7—C13	−1.2 (4)
C10—C11—C12—C7	0.0 (5)	C14—C15—N7—C26	−178.3 (4)
Cl4—C11—C12—C7	−179.1 (3)	C25—C26—N7—C13	124.6 (4)
C8—C7—C12—C11	0.3 (5)	C25—C26—N7—C15	−58.8 (5)
S1—C7—C12—C11	175.7 (3)	N7—C13—N8—C14	−1.2 (5)
N8—C14—C15—N7	0.5 (5)	N7—C13—N8—Ag1	179.5 (2)
N9—C16—C17—N10	0.1 (5)	C15—C14—N8—C13	0.4 (5)
C25—C20—C21—C22	−0.2 (6)	C15—C14—N8—Ag1	179.7 (3)
C19i—C20—C21—C22	−178.3 (4)	N10—C18—N9—C16	−0.5 (4)
C20—C21—C22—C23	0.0 (7)	N10—C18—N9—Ag1	175.9 (2)
C21—C22—C23—C24	0.6 (8)	C17—C16—N9—C18	0.2 (5)
C22—C23—C24—C25	−0.8 (7)	C17—C16—N9—Ag1	−176.3 (3)
C23—C24—C25—C20	0.6 (6)	N9—C18—N10—C17	0.6 (5)
C23—C24—C25—C26	179.5 (4)	N9—C18—N10—C19	178.9 (3)
C21—C20—C25—C24	−0.1 (5)	C16—C17—N10—C18	−0.4 (5)
C19i—C20—C25—C24	177.9 (3)	C16—C17—N10—C19	−178.7 (4)
C21—C20—C25—C26	−179.0 (3)	C20i—C19—N10—C18	157.7 (4)
C19i—C20—C25—C26	−1.0 (5)	C20i—C19—N10—C17	−24.3 (6)
C24—C25—C26—N7	104.5 (4)	C8—C7—S1—O1	−49.1 (4)
C20—C25—C26—N7	−76.6 (4)	C12—C7—S1—O1	135.9 (3)
N3—C27—C28—N4	0.4 (5)	C8—C7—S1—O2	−170.8 (3)
N2—C30—C31—N1	−0.5 (5)	C12—C7—S1—O2	14.2 (3)
C39—C34—C35—C36	−0.1 (6)	C8—C7—S1—O3	71.2 (4)
C33ii—C34—C35—C36	178.5 (4)	C12—C7—S1—O3	−103.8 (3)
C34—C35—C36—C37	1.0 (7)	C2—C1—S2—O4	115.0 (3)
C35—C36—C37—C38	−1.0 (8)	C6—C1—S2—O4	−65.6 (3)
C36—C37—C38—C39	0.3 (7)	C2—C1—S2—O6	−124.4 (3)
C37—C38—C39—C34	0.5 (6)	C6—C1—S2—O6	55.1 (3)
C37—C38—C39—C40	−179.2 (4)	C2—C1—S2—O5	−5.4 (3)
C35—C34—C39—C38	−0.6 (5)	C6—C1—S2—O5	174.1 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O2W—H2A···O6	0.81 (6)	2.15 (7)	2.868 (5)	148 (7)
O3W—H3A···O2	0.82 (7)	2.00 (7)	2.819 (6)	172 (9)
O1W—H1A···O4iii	0.80 (6)	1.99 (6)	2.762 (5)	165 (7)
N6—H6B···O2iv	0.80 (3)	2.19 (4)	2.928 (5)	154 (6)
N5—H5B···O5v	0.81 (6)	2.28 (6)	2.913 (5)	136 (5)

N2—Ag2	2.092 (3)
N3—Ag2	2.090 (4)
N8—Ag1	2.103 (3)
N9—Ag1	2.100 (3)

N9—Ag1—N8	175.91 (13)
N3—Ag2—N2	178.95 (15)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O2W—H2A⋯O6	0.81 (6)	2.15 (7)	2.868 (5)	148 (7)
O3W—H3A⋯O2	0.82 (7)	2.00 (7)	2.819 (6)	172 (9)
O1W—H1A⋯O4i	0.80 (6)	1.99 (6)	2.762 (5)	165 (7)
N6—H6B⋯O2ii	0.80 (3)	2.19 (4)	2.928 (5)	154 (6)
N5—H5B⋯O5iii	0.81 (6)	2.28 (6)	2.913 (5)	136 (5)

Symmetry codes: (i) ; (ii) ; (iii) .