Bis[μ-1,2-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]disilver(I) 3-carboxyl-ato-4-hydroxy-benzene-sulfonate methanol solvate trihydrate.

In the title compound, [Ag(2)(C(14)H(14)N(4))(2)](C(7)H(4)O(6)S)·CH(3)OH·3H(2)O, the complex dication has a binuclear structure in which each Ag(I) ion is two-coordinated in a slightly distorted linear coordination geometry. The two Ag(I) atoms are bridged by two 1,2-bis-[(1H-imidazol-1-yl)meth-yl]benzene (IBI) ligands, forming a 22-membered ring. In the dication, π-π inter-actions are observed between the imidazole rings with centroid-centroid distances of 3.472 (3) and 3.636 (3) Å. In the crystal, the uncoordinated water mol-ecules, anions and methanol solvent mol-ecules are linked into chains along the b axis by O-H⋯O hydrogen bonds. In addition, π-π inter-actions are observed between the benzene rings of the IBI ligands, with a centroid-centroid distance of 3.776 (2) Å. The sulfonate group is disordered over two orientations with occupancies of 0.676 (12) and 0.324 (12).

Related literature

For the design and synthesis of silver(I) sulfonates, see: Cote & Shimizu (2003 ▶); Ma et al. (2005 ▶). For n class="Chemical">silver(I) sulfonate compounds modified by secondary nitro­gen-based ligands, see: Cote & Shimizu (2004 ▶); Liu et al. (2007 ▶). For Ag—N bond distances in N-containing AgI compounds, see: Li et al. (2006 ▶).

Experimental

Crystal data

[Ag2(C14H14N4)2](C7H4O6S)·CH4O·n class="Chemical">3H2O

M = 994.58

Triclinic,

a = 8.9959 (18) Å

b = 13.947 (3) Å

c = 16.008 (3) Å

α = 102.71 (3)°

β = 92.37 (3)°

γ = 91.34 (3)°

V = 1956.5 (7) Å3

Z = 2

Mo Kα radiation

μ = 1.12 mm−1

T = 293 K

0.18 × 0.15 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.771, T max = 0.869

19149 measured reflections

8696 independent reflections

5684 reflections with I > 2σ(I)

R int = 0.030

Refinement

R[F 2 > 2σ(F 2)] = 0.043

wR(F 2) = 0.113

S = 1.04

8696 reflections

569 parameters

15 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.48 e Å−3

Δρmin = −0.41 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/S1600536809030268/ci2841sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809030268/ci2841Isup2.hkl

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

[Ag2(C14H14N4)2](C7H4O6S)·CH4O·3H2O	Z = 2
Mr = 994.58	F(000) = 1008
Triclinic, P1	Dx = 1.688 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.9959 (18) Å	Cell parameters from 8696 reflections
b = 13.947 (3) Å	θ = 3.0–27.5°
c = 16.008 (3) Å	µ = 1.12 mm−1
α = 102.71 (3)°	T = 293 K
β = 92.37 (3)°	Block, colourless
γ = 91.34 (3)°	0.18 × 0.15 × 0.12 mm
V = 1956.5 (7) Å3

Rigaku R-AXIS RAPID diffractometer	8696 independent reflections
Radiation source: fine-focus sealed tube	5684 reflections with I > 2σ(I)
graphite	Rint = 0.030
Detector resolution: 10.0 pixels mm-1	θmax = 27.5°, θmin = 3.0°
ω scans	h = −11→10
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −18→18
Tmin = 0.771, Tmax = 0.869	l = −20→20
19149 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.113	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ2(Fo2) + (0.0508P)2 + 0.9392P] where P = (Fo2 + 2Fc2)/3
8696 reflections	(Δ/σ)max = 0.001
569 parameters	Δρmax = 0.48 e Å−3
15 restraints	Δρmin = −0.41 e Å−3

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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	Occ. (<1)
Ag1	0.51631 (4)	0.61818 (2)	0.156865 (18)	0.05298 (11)
Ag2	0.50633 (5)	0.87099 (3)	0.205113 (19)	0.06856 (14)
C1	0.0311 (4)	0.3785 (3)	0.8229 (2)	0.0382 (8)
C2	0.0830 (4)	0.2920 (3)	0.7783 (2)	0.0405 (8)
H2	0.1572	0.2934	0.7398	0.049*
C3	0.0281 (4)	0.2017 (3)	0.7887 (2)	0.0422 (8)
C4	−0.0854 (4)	0.2010 (3)	0.8456 (3)	0.0480 (9)
C5	−0.1369 (4)	0.2880 (3)	0.8914 (3)	0.0532 (10)
H5	−0.2112	0.2869	0.9299	0.064*
C6	−0.0797 (4)	0.3770 (3)	0.8810 (3)	0.0488 (9)
H6	−0.1148	0.4356	0.9125	0.059*
C7	0.0878 (5)	0.1075 (3)	0.7394 (3)	0.0658 (12)
C8	0.3217 (4)	0.6528 (3)	0.6160 (2)	0.0485 (10)
H8	0.3240	0.5845	0.6048	0.058*
C9	0.2240 (4)	0.7004 (4)	0.6736 (3)	0.0563 (12)
H9	0.1607	0.6645	0.7006	0.068*
C10	0.2201 (5)	0.8008 (4)	0.6910 (2)	0.0585 (11)
H10	0.1543	0.8334	0.7300	0.070*
C11	0.3149 (4)	0.8536 (3)	0.6501 (2)	0.0474 (9)
H11	0.3124	0.9218	0.6618	0.057*
C12	0.4132 (4)	0.8056 (3)	0.5921 (2)	0.0357 (7)
C13	0.4166 (4)	0.7038 (3)	0.5745 (2)	0.0364 (7)
C14	0.5186 (4)	0.6475 (3)	0.5104 (2)	0.0495 (9)
H14A	0.6148	0.6818	0.5165	0.059*
H14B	0.5334	0.5830	0.5224	0.059*
C15	0.5127 (4)	0.8669 (3)	0.5488 (2)	0.0492 (10)
H15A	0.5279	0.9321	0.5854	0.059*
H15B	0.6090	0.8371	0.5413	0.059*
C16	0.3078 (4)	0.8984 (3)	0.4464 (3)	0.0550 (11)
H35	0.2310	0.9104	0.4841	0.066*
C17	0.5375 (4)	0.6265 (3)	0.3517 (2)	0.0437 (8)
H17	0.6408	0.6244	0.3517	0.052*
C18	0.3123 (4)	0.6337 (4)	0.3954 (3)	0.0584 (11)
H18	0.2307	0.6372	0.4296	0.070*
C19	0.3091 (5)	0.6254 (4)	0.3102 (3)	0.0620 (12)
H19	0.2234	0.6233	0.2752	0.074*
C20	0.4847 (4)	0.6288 (3)	−0.0366 (2)	0.0393 (8)
H20	0.3817	0.6331	−0.0367	0.047*
C21	0.7098 (5)	0.6150 (4)	0.0021 (3)	0.0675 (13)
H21	0.7945	0.6082	0.0354	0.081*
C22	0.7108 (4)	0.6219 (4)	−0.0795 (3)	0.0626 (13)
H22	0.7932	0.6204	−0.1129	0.075*
C23	0.5088 (4)	0.6425 (3)	−0.1888 (2)	0.0374 (8)
H23A	0.4109	0.6703	−0.1836	0.045*
H23B	0.4987	0.5782	−0.2274	0.045*
C24	0.6103 (3)	0.7078 (2)	−0.22626 (19)	0.0323 (7)
C25	0.7119 (4)	0.6636 (3)	−0.2848 (2)	0.0470 (9)
H25	0.7166	0.5955	−0.2990	0.056*
C26	0.8063 (4)	0.7204 (4)	−0.3223 (2)	0.0577 (12)
H26	0.8736	0.6902	−0.3616	0.069*
C27	0.8006 (5)	0.8198 (4)	−0.3016 (3)	0.0605 (12)
H27	0.8650	0.8577	−0.3261	0.073*
C28	0.7001 (4)	0.8649 (3)	−0.2446 (2)	0.0496 (10)
H28	0.6956	0.9331	−0.2318	0.059*
C29	0.6049 (4)	0.8095 (2)	−0.2058 (2)	0.0346 (7)
C30	0.4982 (4)	0.8632 (3)	−0.1433 (2)	0.0419 (8)
H30A	0.4784	0.9265	−0.1566	0.050*
H30B	0.4048	0.8257	−0.1494	0.050*
C31	0.6986 (4)	0.9128 (3)	−0.0229 (3)	0.0568 (11)
H31	0.7754	0.9309	−0.0540	0.068*
C32	0.7026 (5)	0.9151 (3)	0.0608 (3)	0.0576 (11)
H32	0.7846	0.9357	0.0983	0.069*
C33	0.4839 (4)	0.8623 (3)	0.0121 (2)	0.0454 (9)
H33	0.3854	0.8395	0.0085	0.055*
C34	0.3000 (5)	0.9002 (3)	0.3616 (3)	0.0586 (11)
H36	0.2161	0.9142	0.3311	0.070*
C35	0.5229 (5)	0.8640 (3)	0.3931 (2)	0.0496 (9)
H324	0.6225	0.8480	0.3888	0.060*
C36	0.0543 (6)	0.8125 (4)	−0.0864 (3)	0.0770 (14)
H36A	0.0016	0.8051	−0.0372	0.115*
H36B	−0.0107	0.7942	−0.1368	0.115*
H36C	0.0879	0.8798	−0.0793	0.115*
N1	0.4492 (3)	0.8757 (2)	0.46511 (19)	0.0432 (7)
N2	0.4585 (3)	0.6358 (2)	0.42210 (18)	0.0410 (7)
N3	0.4505 (4)	0.6207 (2)	0.28299 (18)	0.0448 (7)
N4	0.4359 (4)	0.8780 (2)	0.3290 (2)	0.0524 (8)
N5	0.5701 (4)	0.6192 (2)	0.03033 (19)	0.0451 (7)
N6	0.5658 (3)	0.6314 (2)	−0.10393 (17)	0.0341 (6)
N7	0.5693 (4)	0.8829 (2)	0.0834 (2)	0.0511 (8)
N8	0.5583 (3)	0.8786 (2)	−0.05409 (18)	0.0384 (7)
O1	0.0306 (4)	0.0287 (2)	0.7521 (3)	0.0817 (11)
O2	0.1844 (5)	0.1116 (3)	0.6878 (3)	0.1196 (18)
O3	−0.1455 (4)	0.1150 (3)	0.8567 (2)	0.0720 (9)
H4A	−0.094 (5)	0.068 (3)	0.829 (3)	0.09 (2)*
O7	0.1786 (3)	0.7512 (2)	−0.0952 (2)	0.0607 (8)
H7A	0.147 (4)	0.6923 (12)	−0.110 (2)	0.045 (12)*
O1W	0.1305 (6)	0.2310 (5)	0.5406 (4)	0.1396 (19)
H1A	0.0362 (19)	0.234 (3)	0.533 (6)	0.209*
H1B	0.156 (7)	0.285 (2)	0.575 (5)	0.209*
O2W	0.0029 (6)	−0.0585 (5)	0.5588 (3)	0.1278 (17)
H2A	−0.058 (6)	−0.040 (7)	0.599 (3)	0.192*
H2B	−0.054 (7)	−0.075 (3)	0.513 (3)	0.192*
O3W	0.0648 (7)	0.4362 (5)	0.5578 (5)	0.181 (3)
H3B	0.019 (11)	0.389 (2)	0.523 (6)	0.272*
H3A	0.005 (7)	0.483 (4)	0.5640 (14)	0.272*
S1	0.10110 (11)	0.49166 (8)	0.80514 (8)	0.0510 (3)
O4	0.2488 (10)	0.4775 (7)	0.7857 (5)	0.064 (2)	0.676 (12)
O5	0.0049 (6)	0.5169 (5)	0.7424 (5)	0.076 (3)	0.676 (12)
O6	0.0864 (8)	0.5626 (4)	0.8905 (4)	0.080 (2)	0.676 (12)
O6'	0.0143 (13)	0.5620 (9)	0.8224 (13)	0.090 (8)	0.324 (12)
O5'	0.125 (2)	0.4631 (10)	0.7031 (8)	0.107 (7)	0.324 (12)
O4'	0.253 (2)	0.4992 (18)	0.8326 (15)	0.094 (8)	0.324 (12)

	U11	U22	U33	U12	U13	U23
Ag1	0.0790 (2)	0.04833 (19)	0.03198 (15)	0.00432 (15)	0.00483 (14)	0.00901 (13)
Ag2	0.1229 (3)	0.0504 (2)	0.03425 (17)	0.00170 (19)	0.01163 (18)	0.01212 (14)
C1	0.0295 (17)	0.046 (2)	0.0401 (18)	−0.0052 (14)	−0.0040 (15)	0.0122 (16)
C2	0.0265 (16)	0.052 (2)	0.044 (2)	−0.0043 (15)	0.0026 (15)	0.0138 (17)
C3	0.0359 (19)	0.047 (2)	0.0415 (19)	−0.0066 (16)	−0.0045 (16)	0.0081 (17)
C4	0.046 (2)	0.054 (2)	0.046 (2)	−0.0101 (18)	−0.0058 (18)	0.0184 (19)
C5	0.049 (2)	0.068 (3)	0.046 (2)	−0.002 (2)	0.0157 (19)	0.020 (2)
C6	0.050 (2)	0.050 (2)	0.046 (2)	0.0058 (18)	0.0076 (18)	0.0086 (18)
C7	0.049 (2)	0.053 (3)	0.086 (3)	−0.004 (2)	−0.003 (2)	−0.004 (2)
C8	0.058 (2)	0.045 (2)	0.046 (2)	−0.0104 (18)	−0.0092 (19)	0.0203 (18)
C9	0.043 (2)	0.089 (4)	0.047 (2)	−0.009 (2)	−0.0020 (19)	0.038 (2)
C10	0.052 (2)	0.092 (4)	0.0321 (19)	0.009 (2)	0.0080 (18)	0.014 (2)
C11	0.056 (2)	0.051 (2)	0.0339 (18)	0.0069 (18)	0.0001 (18)	0.0080 (17)
C12	0.0412 (19)	0.042 (2)	0.0247 (15)	−0.0017 (15)	−0.0018 (14)	0.0107 (14)
C13	0.0413 (19)	0.042 (2)	0.0259 (15)	0.0018 (15)	−0.0058 (14)	0.0090 (14)
C14	0.058 (2)	0.053 (2)	0.0353 (19)	0.0108 (19)	−0.0033 (18)	0.0044 (17)
C15	0.059 (2)	0.052 (2)	0.038 (2)	−0.0156 (19)	−0.0024 (18)	0.0166 (18)
C16	0.045 (2)	0.077 (3)	0.050 (2)	−0.012 (2)	0.0021 (19)	0.030 (2)
C17	0.044 (2)	0.048 (2)	0.0364 (19)	0.0062 (17)	0.0022 (17)	0.0048 (16)
C18	0.037 (2)	0.094 (4)	0.039 (2)	0.002 (2)	−0.0025 (18)	0.005 (2)
C19	0.048 (2)	0.092 (4)	0.037 (2)	0.002 (2)	−0.0084 (19)	−0.002 (2)
C20	0.0400 (19)	0.040 (2)	0.0407 (19)	0.0072 (15)	0.0024 (16)	0.0146 (16)
C21	0.046 (2)	0.107 (4)	0.058 (3)	0.006 (2)	−0.009 (2)	0.040 (3)
C22	0.038 (2)	0.100 (4)	0.062 (3)	0.006 (2)	0.003 (2)	0.043 (3)
C23	0.0415 (19)	0.0361 (19)	0.0362 (17)	−0.0049 (14)	−0.0052 (15)	0.0137 (15)
C24	0.0323 (17)	0.0390 (19)	0.0262 (15)	−0.0001 (14)	−0.0034 (13)	0.0096 (14)
C25	0.047 (2)	0.054 (2)	0.0364 (19)	0.0074 (18)	0.0021 (17)	0.0011 (17)
C26	0.037 (2)	0.101 (4)	0.0346 (19)	0.008 (2)	0.0062 (17)	0.014 (2)
C27	0.046 (2)	0.096 (4)	0.047 (2)	−0.018 (2)	0.004 (2)	0.033 (2)
C28	0.063 (2)	0.048 (2)	0.040 (2)	−0.0165 (19)	−0.0027 (19)	0.0183 (18)
C29	0.0394 (18)	0.0397 (19)	0.0252 (15)	−0.0039 (14)	−0.0030 (14)	0.0098 (14)
C30	0.050 (2)	0.042 (2)	0.0331 (17)	0.0053 (16)	−0.0042 (16)	0.0061 (15)
C31	0.046 (2)	0.078 (3)	0.042 (2)	0.002 (2)	0.0054 (19)	0.005 (2)
C32	0.056 (3)	0.074 (3)	0.038 (2)	0.010 (2)	−0.0082 (19)	0.003 (2)
C33	0.058 (2)	0.036 (2)	0.041 (2)	−0.0033 (17)	0.0071 (18)	0.0063 (16)
C34	0.059 (3)	0.070 (3)	0.049 (2)	−0.018 (2)	−0.009 (2)	0.023 (2)
C35	0.063 (3)	0.046 (2)	0.041 (2)	−0.0007 (18)	0.0079 (19)	0.0134 (18)
C36	0.071 (3)	0.087 (4)	0.075 (3)	0.013 (3)	0.006 (3)	0.020 (3)
N1	0.0487 (18)	0.0468 (18)	0.0375 (16)	−0.0093 (14)	−0.0003 (14)	0.0181 (14)
N2	0.0461 (17)	0.0435 (18)	0.0306 (15)	0.0050 (13)	−0.0009 (13)	0.0019 (13)
N3	0.0539 (19)	0.0479 (19)	0.0296 (15)	0.0069 (14)	−0.0006 (14)	0.0020 (13)
N4	0.074 (2)	0.049 (2)	0.0354 (16)	−0.0094 (17)	−0.0016 (17)	0.0148 (15)
N5	0.059 (2)	0.0443 (18)	0.0344 (16)	0.0077 (14)	0.0006 (15)	0.0135 (14)
N6	0.0365 (15)	0.0330 (15)	0.0354 (15)	0.0027 (12)	−0.0013 (13)	0.0139 (12)
N7	0.071 (2)	0.0445 (19)	0.0368 (17)	0.0072 (16)	0.0039 (16)	0.0073 (14)
N8	0.0454 (17)	0.0362 (16)	0.0320 (15)	0.0060 (13)	0.0005 (13)	0.0035 (12)
O1	0.077 (2)	0.0436 (19)	0.118 (3)	−0.0043 (16)	−0.014 (2)	0.0087 (19)
O2	0.095 (3)	0.074 (3)	0.172 (5)	−0.005 (2)	0.076 (3)	−0.025 (3)
O3	0.081 (2)	0.066 (2)	0.075 (2)	−0.027 (2)	0.0109 (19)	0.0296 (19)
O7	0.0474 (16)	0.064 (2)	0.070 (2)	−0.0004 (15)	0.0075 (15)	0.0127 (17)
O1W	0.139 (4)	0.184 (6)	0.093 (4)	0.007 (4)	0.005 (3)	0.026 (4)
O2W	0.144 (4)	0.152 (5)	0.089 (3)	0.038 (4)	0.023 (3)	0.026 (3)
O3W	0.181 (6)	0.162 (6)	0.179 (7)	−0.033 (5)	0.039 (5)	−0.010 (5)
S1	0.0394 (5)	0.0466 (6)	0.0711 (7)	−0.0050 (4)	−0.0040 (5)	0.0238 (5)
O4	0.036 (4)	0.057 (4)	0.104 (6)	0.000 (3)	0.022 (5)	0.027 (4)
O5	0.064 (4)	0.076 (4)	0.102 (5)	−0.016 (3)	−0.029 (4)	0.056 (4)
O6	0.122 (5)	0.041 (3)	0.067 (4)	−0.019 (3)	0.025 (4)	−0.009 (2)
O6'	0.066 (8)	0.056 (7)	0.17 (2)	0.030 (6)	0.050 (12)	0.053 (10)
O5'	0.165 (17)	0.095 (10)	0.079 (9)	0.003 (10)	0.026 (9)	0.056 (8)
O4'	0.048 (8)	0.092 (15)	0.160 (19)	−0.027 (9)	−0.046 (13)	0.078 (15)

Ag1—N5	2.105 (3)	C21—H21	0.93
Ag1—N3	2.121 (3)	C22—N6	1.364 (5)
Ag2—N4	2.089 (3)	C22—H22	0.93
Ag2—N7	2.091 (3)	C23—N6	1.474 (4)
C1—C2	1.363 (5)	C23—C24	1.506 (4)
C1—C6	1.393 (5)	C23—H23A	0.97
C1—S1	1.770 (3)	C23—H23B	0.97
C2—C3	1.387 (5)	C24—C29	1.387 (5)
C2—H2	0.93	C24—C25	1.392 (5)
C3—C4	1.397 (5)	C25—C26	1.388 (6)
C3—C7	1.500 (6)	C25—H25	0.93
C4—O3	1.354 (5)	C26—C27	1.355 (7)
C4—C5	1.374 (6)	C26—H26	0.93
C5—C6	1.379 (5)	C27—C28	1.374 (6)
C5—H5	0.93	C27—H27	0.93
C6—H6	0.93	C28—C29	1.393 (4)
C7—O2	1.233 (6)	C28—H28	0.93
C7—O1	1.263 (5)	C29—C30	1.505 (5)
C8—C9	1.375 (6)	C30—N8	1.475 (4)
C8—C13	1.380 (5)	C30—H30A	0.97
C8—H8	0.93	C30—H30B	0.97
C9—C10	1.368 (6)	C31—C32	1.332 (5)
C9—H9	0.93	C31—N8	1.372 (5)
C10—C11	1.389 (5)	C31—H31	0.93
C10—H10	0.93	C32—N7	1.361 (5)
C11—C12	1.383 (5)	C32—H32	0.93
C11—H11	0.93	C33—N7	1.323 (5)
C12—C13	1.387 (5)	C33—N8	1.333 (5)
C12—C15	1.513 (4)	C33—H33	0.93
C13—C14	1.506 (5)	C34—N4	1.365 (5)
C14—N2	1.467 (4)	C34—H36	0.93
C14—H14A	0.97	C35—N4	1.317 (5)
C14—H14B	0.97	C35—N1	1.334 (5)
C15—N1	1.466 (5)	C35—H324	0.93
C15—H15A	0.97	C36—O7	1.416 (6)
C15—H15B	0.97	C36—H36A	0.96
C16—N1	1.355 (5)	C36—H36B	0.96
C16—C34	1.361 (5)	C36—H36C	0.96
C16—H35	0.93	O3—H4A	0.86 (4)
C17—N3	1.311 (5)	O7—H7A	0.842 (10)
C17—N2	1.341 (4)	O1W—H1A	0.856 (10)
C17—H17	0.93	O1W—H1B	0.85 (6)
C18—C19	1.343 (5)	O2W—H2A	0.86 (5)
C18—N2	1.363 (5)	O2W—H2B	0.86 (5)
C18—H18	0.93	O3W—H3B	0.85 (7)
C19—N3	1.360 (5)	O3W—H3A	0.85 (6)
C19—H19	0.93	S1—O6'	1.258 (10)
C20—N5	1.326 (5)	S1—O4	1.386 (9)
C20—N6	1.332 (4)	S1—O5	1.407 (5)
C20—H20	0.93	S1—O4'	1.42 (2)
C21—C22	1.330 (6)	S1—O6	1.514 (5)
C21—N5	1.351 (5)	S1—O5'	1.619 (13)
N5—Ag1—N3	176.76 (13)	C27—C26—H26	120.0
N4—Ag2—N7	172.60 (13)	C25—C26—H26	120.0
C2—C1—C6	119.5 (3)	C26—C27—C28	120.4 (3)
C2—C1—S1	120.1 (3)	C26—C27—H27	119.8
C6—C1—S1	120.4 (3)	C28—C27—H27	119.8
C1—C2—C3	121.9 (3)	C27—C28—C29	120.7 (4)
C1—C2—H2	119.1	C27—C28—H28	119.7
C3—C2—H2	119.1	C29—C28—H28	119.7
C2—C3—C4	118.2 (4)	C24—C29—C28	119.4 (3)
C2—C3—C7	120.9 (4)	C24—C29—C30	122.4 (3)
C4—C3—C7	120.9 (4)	C28—C29—C30	118.2 (3)
O3—C4—C5	119.2 (4)	N8—C30—C29	111.6 (3)
O3—C4—C3	120.7 (4)	N8—C30—H30A	109.3
C5—C4—C3	120.2 (3)	C29—C30—H30A	109.3
C4—C5—C6	120.8 (4)	N8—C30—H30B	109.3
C4—C5—H5	119.6	C29—C30—H30B	109.3
C6—C5—H5	119.6	H30A—C30—H30B	108.0
C5—C6—C1	119.5 (4)	C32—C31—N8	106.3 (4)
C5—C6—H6	120.2	C32—C31—H31	126.8
C1—C6—H6	120.2	N8—C31—H31	126.8
O2—C7—O1	124.5 (5)	C31—C32—N7	110.2 (4)
O2—C7—C3	118.7 (4)	C31—C32—H32	124.9
O1—C7—C3	116.8 (4)	N7—C32—H32	124.9
C9—C8—C13	121.6 (4)	N7—C33—N8	110.8 (3)
C9—C8—H8	119.2	N7—C33—H33	124.6
C13—C8—H8	119.2	N8—C33—H33	124.6
C10—C9—C8	119.8 (3)	C16—C34—N4	108.6 (4)
C10—C9—H9	120.1	C16—C34—H36	125.7
C8—C9—H9	120.1	N4—C34—H36	125.7
C9—C10—C11	119.6 (4)	N4—C35—N1	111.0 (4)
C9—C10—H10	120.2	N4—C35—H324	124.5
C11—C10—H10	120.2	N1—C35—H324	124.5
C12—C11—C10	120.6 (4)	O7—C36—H36A	109.5
C12—C11—H11	119.7	O7—C36—H36B	109.5
C10—C11—H11	119.7	H36A—C36—H36B	109.5
C11—C12—C13	119.6 (3)	O7—C36—H36C	109.5
C11—C12—C15	118.3 (3)	H36A—C36—H36C	109.5
C13—C12—C15	122.1 (3)	H36B—C36—H36C	109.5
C8—C13—C12	118.8 (3)	C35—N1—C16	107.4 (3)
C8—C13—C14	119.2 (3)	C35—N1—C15	125.4 (4)
C12—C13—C14	122.0 (3)	C16—N1—C15	127.1 (3)
N2—C14—C13	111.9 (3)	C17—N2—C18	106.6 (3)
N2—C14—H14A	109.2	C17—N2—C14	126.4 (3)
C13—C14—H14A	109.2	C18—N2—C14	127.0 (3)
N2—C14—H14B	109.2	C17—N3—C19	106.0 (3)
C13—C14—H14B	109.2	C17—N3—Ag1	127.2 (3)
H14A—C14—H14B	107.9	C19—N3—Ag1	126.6 (3)
N1—C15—C12	112.1 (3)	C35—N4—C34	106.2 (3)
N1—C15—H15A	109.2	C35—N4—Ag2	124.1 (3)
C12—C15—H15A	109.2	C34—N4—Ag2	129.6 (3)
N1—C15—H15B	109.2	C20—N5—C21	104.6 (3)
C12—C15—H15B	109.2	C20—N5—Ag1	130.7 (3)
H15A—C15—H15B	107.9	C21—N5—Ag1	124.5 (3)
N1—C16—C34	106.7 (4)	C20—N6—C22	107.2 (3)
N1—C16—H35	126.7	C20—N6—C23	126.2 (3)
C34—C16—H35	126.7	C22—N6—C23	126.6 (3)
N3—C17—N2	111.2 (3)	C33—N7—C32	105.6 (3)
N3—C17—H17	124.4	C33—N7—Ag2	126.2 (3)
N2—C17—H17	124.4	C32—N7—Ag2	128.2 (3)
C19—C18—N2	106.7 (4)	C33—N8—C31	107.1 (3)
C19—C18—H18	126.6	C33—N8—C30	125.6 (3)
N2—C18—H18	126.6	C31—N8—C30	127.3 (3)
C18—C19—N3	109.5 (4)	C4—O3—H4A	108 (4)
C18—C19—H19	125.3	C36—O7—H7A	108 (3)
N3—C19—H19	125.3	H1A—O1W—H1B	104 (6)
N5—C20—N6	111.1 (3)	H2A—O2W—H2B	104 (5)
N5—C20—H20	124.4	H3B—O3W—H3A	105 (7)
N6—C20—H20	124.4	O6'—S1—O4	138.1 (6)
C22—C21—N5	111.3 (4)	O6'—S1—O5	57.8 (9)
C22—C21—H21	124.3	O4—S1—O5	117.4 (5)
N5—C21—H21	124.3	O6'—S1—O4'	123.3 (13)
C21—C22—N6	105.7 (4)	O5—S1—O4'	140.5 (9)
C21—C22—H22	127.1	O6'—S1—O6	52.4 (9)
N6—C22—H22	127.1	O4—S1—O6	111.7 (4)
N6—C23—C24	111.8 (3)	O5—S1—O6	110.1 (5)
N6—C23—H23A	109.2	O4'—S1—O6	82.2 (10)
C24—C23—H23A	109.2	O6'—S1—O5'	110.1 (10)
N6—C23—H23B	109.2	O4—S1—O5'	66.9 (7)
C24—C23—H23B	109.2	O5—S1—O5'	55.4 (6)
H23A—C23—H23B	107.9	O4'—S1—O5'	97.3 (10)
C29—C24—C25	118.9 (3)	O6—S1—O5'	154.3 (5)
C29—C24—C23	122.8 (3)	O6'—S1—C1	115.0 (5)
C25—C24—C23	118.3 (3)	O4—S1—C1	106.3 (4)
C26—C25—C24	120.6 (4)	O5—S1—C1	106.6 (2)
C26—C25—H25	119.7	O4'—S1—C1	106.4 (9)
C24—C25—H25	119.7	O6—S1—C1	103.6 (2)
C27—C26—C25	120.0 (4)	O5'—S1—C1	101.2 (5)
C6—C1—C2—C3	0.3 (5)	N4—C35—N1—C15	−179.0 (3)
S1—C1—C2—C3	−178.2 (3)	C34—C16—N1—C35	−0.3 (5)
C1—C2—C3—C4	1.2 (5)	C34—C16—N1—C15	178.8 (4)
C1—C2—C3—C7	−179.5 (4)	C12—C15—N1—C35	−133.8 (4)
C2—C3—C4—O3	178.4 (3)	C12—C15—N1—C16	47.3 (5)
C7—C3—C4—O3	−0.9 (6)	N3—C17—N2—C18	1.3 (5)
C2—C3—C4—C5	−1.9 (6)	N3—C17—N2—C14	−177.9 (3)
C7—C3—C4—C5	178.8 (4)	C19—C18—N2—C17	−1.4 (5)
O3—C4—C5—C6	−179.1 (4)	C19—C18—N2—C14	177.8 (4)
C3—C4—C5—C6	1.2 (6)	C13—C14—N2—C17	151.7 (3)
C4—C5—C6—C1	0.3 (6)	C13—C14—N2—C18	−27.4 (6)
C2—C1—C6—C5	−1.1 (6)	N2—C17—N3—C19	−0.7 (5)
S1—C1—C6—C5	177.4 (3)	N2—C17—N3—Ag1	174.1 (2)
C2—C3—C7—O2	−1.7 (7)	C18—C19—N3—C17	−0.2 (5)
C4—C3—C7—O2	177.6 (5)	C18—C19—N3—Ag1	−175.0 (3)
C2—C3—C7—O1	−179.3 (4)	N1—C35—N4—C34	0.2 (4)
C4—C3—C7—O1	−0.1 (6)	N1—C35—N4—Ag2	178.2 (2)
C13—C8—C9—C10	−0.3 (6)	C16—C34—N4—C35	−0.4 (5)
C8—C9—C10—C11	0.1 (6)	C16—C34—N4—Ag2	−178.3 (3)
C9—C10—C11—C12	0.0 (6)	N6—C20—N5—C21	−0.5 (4)
C10—C11—C12—C13	0.2 (5)	N6—C20—N5—Ag1	176.2 (2)
C10—C11—C12—C15	179.4 (3)	C22—C21—N5—C20	0.0 (6)
C9—C8—C13—C12	0.5 (5)	C22—C21—N5—Ag1	−176.9 (3)
C9—C8—C13—C14	−178.5 (3)	N5—C20—N6—C22	0.7 (4)
C11—C12—C13—C8	−0.4 (5)	N5—C20—N6—C23	−179.3 (3)
C15—C12—C13—C8	−179.6 (3)	C21—C22—N6—C20	−0.7 (5)
C11—C12—C13—C14	178.6 (3)	C21—C22—N6—C23	179.4 (4)
C15—C12—C13—C14	−0.6 (5)	C24—C23—N6—C20	140.9 (3)
C8—C13—C14—N2	98.4 (4)	C24—C23—N6—C22	−39.1 (5)
C12—C13—C14—N2	−80.5 (4)	N8—C33—N7—C32	1.0 (4)
C11—C12—C15—N1	−94.9 (4)	N8—C33—N7—Ag2	179.6 (2)
C13—C12—C15—N1	84.3 (4)	C31—C32—N7—C33	−0.8 (5)
N2—C18—C19—N3	1.0 (6)	C31—C32—N7—Ag2	−179.3 (3)
N5—C21—C22—N6	0.4 (6)	N7—C33—N8—C31	−0.9 (4)
N6—C23—C24—C29	−83.6 (4)	N7—C33—N8—C30	179.8 (3)
N6—C23—C24—C25	97.4 (4)	C32—C31—N8—C33	0.3 (5)
C29—C24—C25—C26	0.0 (5)	C32—C31—N8—C30	179.7 (4)
C23—C24—C25—C26	179.0 (3)	C29—C30—N8—C33	−133.9 (3)
C24—C25—C26—C27	0.3 (6)	C29—C30—N8—C31	46.9 (5)
C25—C26—C27—C28	−1.0 (6)	C2—C1—S1—O6'	154.7 (11)
C26—C27—C28—C29	1.4 (6)	C6—C1—S1—O6'	−23.8 (11)
C25—C24—C29—C28	0.4 (5)	C2—C1—S1—O4	−33.0 (5)
C23—C24—C29—C28	−178.5 (3)	C6—C1—S1—O4	148.5 (5)
C25—C24—C29—C30	179.9 (3)	C2—C1—S1—O5	93.0 (5)
C23—C24—C29—C30	0.9 (5)	C6—C1—S1—O5	−85.5 (5)
C27—C28—C29—C24	−1.1 (5)	C2—C1—S1—O4'	−65.1 (11)
C27—C28—C29—C30	179.4 (3)	C6—C1—S1—O4'	116.4 (11)
C24—C29—C30—N8	84.9 (4)	C2—C1—S1—O6	−150.8 (4)
C28—C29—C30—N8	−95.6 (4)	C6—C1—S1—O6	30.7 (5)
N8—C31—C32—N7	0.3 (5)	C2—C1—S1—O5'	36.1 (7)
N1—C16—C34—N4	0.4 (5)	C6—C1—S1—O5'	−142.4 (7)
N4—C35—N1—C16	0.1 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1B···O3W	0.85 (6)	2.35 (5)	2.892 (9)	122 (4)
O2W—H2A···O1	0.86 (5)	2.52 (6)	3.063 (7)	122 (6)
O3—H4A···O1	0.86 (4)	1.71 (3)	2.486 (6)	149 (5)
O7—H7A···O6i	0.84 (1)	1.88 (2)	2.697 (6)	164 (4)
O2W—H2B···O1Wii	0.86 (5)	2.24 (5)	2.790 (9)	122 (4)
O3W—H3A···O3Wiii	0.85 (6)	2.52 (4)	3.053 (10)	122 (2)

Ag1—N5	2.105 (3)
Ag1—N3	2.121 (3)
Ag2—N4	2.089 (3)
Ag2—N7	2.091 (3)

N5—Ag1—N3	176.76 (13)
N4—Ag2—N7	172.60 (13)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1B⋯O3W	0.85 (6)	2.35 (5)	2.892 (9)	122 (4)
O2W—H2A⋯O1	0.86 (5)	2.52 (6)	3.063 (7)	122 (6)
O3—H4A⋯O1	0.86 (4)	1.71 (3)	2.486 (6)	149 (5)
O7—H7A⋯O6i	0.84 (1)	1.88 (2)	2.697 (6)	164 (4)
O2W—H2B⋯O1Wii	0.86 (5)	2.24 (5)	2.790 (9)	122 (4)
O3W—H3A⋯O3Wiii	0.85 (6)	2.52 (4)	3.053 (10)	122 (2)

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