Poly[[diaqua-bis-(μ(3)-3-carboxyl-ato-4-hy-droxy-benzene-sulfonato)-tri-μ(2)-pyrazine-tetra-silver(I)] dihydrate].

The title coordination polymer, {[Ag(4)(C(7)H(4)O(6)S)(2)(C(4)H(4)N(2))(3)(H(2)O)(2)]·2H(2)O}(n), contains two independent Ag(I) ions. One Ag(I) ion is coordinated by one O atom from a 3-carboxyl-ato-4-hy-droxy-benzene-sulfonate (L) ligand, two N atoms from two pyrazine ligands and a water mol-ecule. The other Ag(I) ion is coordinated by two O atoms from two L ligands and one N atom from a pyrazine ligand. One of the pyrazine ligands lies on an inversion center. The L and pyrazine ligands link the Ag(I) ions into polymeric layers parallel to the ac plane. The layers are connected by inter-molecular O-H⋯O hydrogen bonds. An intra-molecular O-H⋯O hydrogen bond is also present in the L ligand.

Related literature

For a related structure, see: Nie & Qu (2011 ▶).

Experimental

Crystal data

[Ag4(C7H4O6S)2(C4H4N2)3(H2O)2]·2H2O

M = 1176.14

Triclinic,

a = 7.646 (5) Å

b = 10.340 (4) Å

c = 11.375 (4) Å

α = 78.751 (3)°

β = 73.436 (4)°

γ = 82.882 (5)°

V = 843.2 (7) Å3

Z = 1

Mo Kα radiation

μ = 2.50 mm−1

T = 293 K

0.21 × 0.15 × 0.12 mm

Data collection

Bruker APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.622, T max = 0.754

7253 measured reflections

3387 independent reflections

2190 reflections with I > 2σ(I)

R int = 0.058

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.073

S = 0.88

3387 reflections

256 parameters

5 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.70 e Å−3

Δρmin = −1.09 e Å−3

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811041626/hy2474sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811041626/hy2474Isup2.hkl

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

[Ag4(C7H4O6S)2(C4H4N2)3(H2O)2]·2H2O	Z = 1
Mr = 1176.14	F(000) = 574
Triclinic, P1	Dx = 2.316 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.646 (5) Å	Cell parameters from 2192 reflections
b = 10.340 (4) Å	θ = 3.2–27.5°
c = 11.375 (4) Å	µ = 2.50 mm−1
α = 78.751 (3)°	T = 293 K
β = 73.436 (4)°	Block, colorless
γ = 82.882 (5)°	0.21 × 0.15 × 0.12 mm
V = 843.2 (7) Å3

Bruker APEX CCD diffractometer	3387 independent reflections
Radiation source: fine-focus sealed tube	2190 reflections with I > 2σ(I)
graphite	Rint = 0.058
φ and ω scans	θmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −9→9
Tmin = 0.622, Tmax = 0.754	k = −12→13
7253 measured reflections	l = −12→14

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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.073	H atoms treated by a mixture of independent and constrained refinement
S = 0.88	w = 1/[σ2(Fo2) + (0.0213P)2] where P = (Fo2 + 2Fc2)/3
3387 reflections	(Δ/σ)max < 0.001
256 parameters	Δρmax = 0.70 e Å−3
5 restraints	Δρmin = −1.09 e Å−3

	x	y	z	Uiso*/Ueq
Ag1	0.29090 (6)	0.17665 (4)	−0.29686 (4)	0.03972 (13)
Ag2	0.39877 (5)	0.41619 (4)	0.22945 (4)	0.03870 (13)
C1	0.1323 (5)	0.1138 (4)	−0.6235 (4)	0.0216 (9)
C2	0.2275 (6)	−0.0059 (4)	−0.6494 (4)	0.0253 (10)
C3	0.1985 (6)	−0.0669 (4)	−0.7399 (4)	0.0288 (10)
H3	0.2663	−0.1448	−0.7589	0.035*
C4	0.0686 (6)	−0.0115 (4)	−0.8019 (4)	0.0263 (10)
H4	0.0493	−0.0518	−0.8630	0.032*
C5	−0.0332 (5)	0.1047 (4)	−0.7726 (4)	0.0219 (9)
C6	−0.0001 (5)	0.1680 (4)	−0.6871 (4)	0.0214 (9)
H6	−0.0656	0.2474	−0.6709	0.026*
C7	0.1616 (6)	0.1842 (5)	−0.5288 (4)	0.0266 (10)
C8	0.3541 (6)	0.1792 (5)	−0.0457 (4)	0.0311 (11)
H8	0.3830	0.0903	−0.0517	0.037*
C9	0.3716 (6)	0.2241 (4)	0.0570 (4)	0.0299 (11)
H9	0.4142	0.1646	0.1171	0.036*
C10	0.2678 (6)	0.4298 (5)	−0.0175 (4)	0.0317 (11)
H10	0.2345	0.5181	−0.0100	0.038*
C11	0.2525 (6)	0.3863 (5)	−0.1201 (5)	0.0322 (11)
H11	0.2101	0.4459	−0.1802	0.039*
C12	0.5470 (6)	0.3813 (5)	0.4676 (4)	0.0288 (10)
H12	0.5817	0.2972	0.4474	0.035*
C13	0.4107 (6)	0.5879 (5)	0.4325 (4)	0.0294 (11)
H13	0.3477	0.6518	0.3871	0.035*
N1	0.2969 (5)	0.2599 (4)	−0.1363 (3)	0.0280 (9)
N2	0.3295 (5)	0.3496 (4)	0.0728 (4)	0.0281 (9)
N3	0.4568 (5)	0.4690 (4)	0.3978 (3)	0.0288 (9)
O1	−0.3073 (6)	0.2729 (4)	−0.7854 (4)	0.0730 (16)
O2	−0.1208 (6)	0.2172 (5)	−0.9749 (4)	0.0738 (14)
O3	−0.3110 (6)	0.0589 (4)	−0.8372 (5)	0.0805 (17)
O4	0.3512 (4)	−0.0688 (3)	−0.5882 (3)	0.0359 (8)
H4A	0.3588	−0.0253	−0.5370	0.054*
O5	0.0833 (5)	0.2950 (3)	−0.5153 (3)	0.0421 (9)
O6	0.2710 (4)	0.1232 (3)	−0.4660 (3)	0.0353 (8)
S1	−0.20943 (15)	0.16850 (10)	−0.84628 (11)	0.0261 (3)
OW1	0.0538 (5)	0.4656 (4)	−0.3518 (4)	0.0460 (10)
H1A	0.072 (8)	0.403 (5)	−0.397 (5)	0.069*
H1B	0.021 (8)	0.542 (3)	−0.393 (5)	0.069*
OW2	0.2451 (5)	0.6472 (4)	0.1729 (4)	0.0449 (9)
H2A	0.230 (8)	0.686 (5)	0.100 (3)	0.067*
H2B	0.128 (3)	0.648 (3)	0.218 (4)	0.067*

	U11	U22	U33	U12	U13	U23
Ag1	0.0586 (3)	0.0419 (3)	0.0292 (2)	−0.00358 (19)	−0.0243 (2)	−0.01205 (18)
Ag2	0.0527 (2)	0.0423 (3)	0.0330 (3)	0.00471 (18)	−0.0272 (2)	−0.01620 (19)
C1	0.026 (2)	0.019 (2)	0.022 (2)	0.0003 (17)	−0.009 (2)	−0.0059 (18)
C2	0.028 (2)	0.022 (2)	0.025 (3)	0.0019 (18)	−0.011 (2)	0.0001 (19)
C3	0.034 (2)	0.023 (2)	0.030 (3)	0.0092 (19)	−0.012 (2)	−0.010 (2)
C4	0.033 (2)	0.025 (3)	0.026 (3)	−0.0005 (19)	−0.012 (2)	−0.011 (2)
C5	0.026 (2)	0.022 (2)	0.020 (2)	0.0034 (18)	−0.010 (2)	−0.0069 (18)
C6	0.026 (2)	0.019 (2)	0.020 (2)	0.0019 (17)	−0.009 (2)	−0.0044 (18)
C7	0.033 (2)	0.029 (3)	0.021 (3)	−0.004 (2)	−0.013 (2)	−0.004 (2)
C8	0.040 (3)	0.025 (3)	0.032 (3)	0.003 (2)	−0.016 (2)	−0.007 (2)
C9	0.035 (2)	0.029 (3)	0.030 (3)	0.001 (2)	−0.017 (2)	−0.004 (2)
C10	0.041 (3)	0.028 (3)	0.032 (3)	0.006 (2)	−0.020 (2)	−0.010 (2)
C11	0.040 (3)	0.031 (3)	0.031 (3)	−0.001 (2)	−0.022 (2)	−0.002 (2)
C12	0.039 (3)	0.022 (3)	0.026 (3)	0.003 (2)	−0.011 (2)	−0.006 (2)
C13	0.039 (3)	0.026 (3)	0.026 (3)	0.003 (2)	−0.015 (2)	−0.005 (2)
N1	0.031 (2)	0.032 (2)	0.024 (2)	−0.0006 (17)	−0.0104 (18)	−0.0063 (18)
N2	0.030 (2)	0.033 (2)	0.026 (2)	−0.0027 (17)	−0.0116 (19)	−0.0080 (18)
N3	0.034 (2)	0.033 (2)	0.022 (2)	−0.0005 (17)	−0.0131 (19)	−0.0043 (18)
O1	0.076 (3)	0.092 (3)	0.077 (3)	0.056 (3)	−0.058 (3)	−0.059 (3)
O2	0.066 (3)	0.111 (4)	0.036 (3)	0.010 (3)	−0.025 (2)	0.012 (2)
O3	0.082 (3)	0.041 (3)	0.143 (5)	−0.019 (2)	−0.087 (4)	0.020 (3)
O4	0.0398 (18)	0.035 (2)	0.041 (2)	0.0159 (15)	−0.0263 (18)	−0.0129 (16)
O5	0.066 (2)	0.029 (2)	0.047 (2)	0.0100 (17)	−0.037 (2)	−0.0191 (17)
O6	0.0442 (19)	0.039 (2)	0.033 (2)	0.0043 (16)	−0.0252 (18)	−0.0135 (16)
S1	0.0345 (6)	0.0234 (6)	0.0274 (7)	0.0032 (5)	−0.0195 (5)	−0.0074 (5)
OW1	0.068 (3)	0.041 (2)	0.036 (2)	0.001 (2)	−0.026 (2)	−0.0095 (18)
OW2	0.059 (2)	0.039 (2)	0.039 (2)	0.0057 (18)	−0.020 (2)	−0.0083 (18)

Ag1—N1	2.180 (3)	C8—H8	0.9300
Ag1—O3i	2.621 (3)	C9—N2	1.332 (5)
Ag1—O6	2.153 (3)	C9—H9	0.9300
Ag2—N2	2.245 (3)	C10—N2	1.346 (6)
Ag2—N3	2.262 (3)	C10—C11	1.368 (6)
Ag2—O1ii	2.516 (4)	C10—H10	0.9300
Ag2—OW2	2.576 (4)	C11—N1	1.343 (6)
C1—C2	1.395 (6)	C11—H11	0.9300
C1—C6	1.408 (5)	C12—N3	1.343 (5)
C1—C7	1.491 (6)	C12—C13iii	1.369 (6)
C2—O4	1.360 (5)	C12—H12	0.9300
C2—C3	1.388 (6)	C13—N3	1.340 (5)
C3—C4	1.382 (6)	C13—C12iii	1.369 (6)
C3—H3	0.9300	C13—H13	0.9300
C4—C5	1.392 (6)	O1—S1	1.415 (3)
C4—H4	0.9300	O2—S1	1.444 (5)
C5—C6	1.366 (5)	O3—S1	1.423 (4)
C5—S1	1.778 (4)	O4—H4A	0.8200
C6—H6	0.9300	OW1—H1A	0.88 (2)
C7—O5	1.241 (5)	OW1—H1B	0.89 (2)
C7—O6	1.281 (5)	OW2—H2A	0.88 (2)
C8—N1	1.335 (6)	OW2—H2B	0.89 (2)
C8—C9	1.383 (6)
O6—Ag1—N1	171.57 (13)	N2—C10—C11	122.4 (4)
N2—Ag2—N3	175.29 (14)	N2—C10—H10	118.8
N2—Ag2—O1ii	95.52 (12)	C11—C10—H10	118.8
N3—Ag2—O1ii	84.24 (12)	N1—C11—C10	121.9 (4)
N2—Ag2—OW2	89.83 (12)	N1—C11—H11	119.1
N3—Ag2—OW2	92.92 (12)	C10—C11—H11	119.1
O1ii—Ag2—OW2	147.05 (16)	N3—C12—C13iii	121.9 (4)
C2—C1—C6	118.4 (3)	N3—C12—H12	119.0
C2—C1—C7	122.6 (4)	C13iii—C12—H12	119.0
C6—C1—C7	119.0 (4)	N3—C13—C12iii	122.3 (4)
O4—C2—C1	122.5 (3)	N3—C13—H13	118.8
O4—C2—C3	116.8 (4)	C12iii—C13—H13	118.8
C1—C2—C3	120.8 (4)	C8—N1—C11	116.0 (4)
C4—C3—C2	119.8 (4)	C8—N1—Ag1	117.5 (3)
C4—C3—H3	120.1	C11—N1—Ag1	126.5 (3)
C2—C3—H3	120.1	C9—N2—C10	115.6 (4)
C3—C4—C5	119.8 (3)	C9—N2—Ag2	118.8 (3)
C3—C4—H4	120.1	C10—N2—Ag2	125.1 (3)
C5—C4—H4	120.1	C13—N3—C12	115.8 (4)
C6—C5—C4	120.6 (3)	C13—N3—Ag2	123.5 (3)
C6—C5—S1	120.4 (3)	C12—N3—Ag2	120.7 (3)
C4—C5—S1	119.1 (3)	S1—O1—Ag2iv	139.7 (2)
C5—C6—C1	120.5 (4)	C2—O4—H4A	109.5
C5—C6—H6	119.7	C7—O6—Ag1	123.7 (3)
C1—C6—H6	119.7	O1—S1—O3	115.8 (3)
O5—C7—O6	124.1 (3)	O1—S1—O2	110.9 (3)
O5—C7—C1	120.2 (4)	O3—S1—O2	110.4 (3)
O6—C7—C1	115.6 (4)	O1—S1—C5	106.73 (19)
N1—C8—C9	121.9 (4)	O3—S1—C5	105.6 (2)
N1—C8—H8	119.1	O2—S1—C5	106.9 (2)
C9—C8—H8	119.1	H1A—OW1—H1B	110 (6)
N2—C9—C8	122.2 (4)	Ag2—OW2—H2A	128 (4)
N2—C9—H9	118.9	Ag2—OW2—H2B	107.5 (17)
C8—C9—H9	118.9	H2A—OW2—H2B	100 (5)
C6—C1—C2—O4	−176.7 (4)	C11—C10—N2—C9	−1.2 (7)
C7—C1—C2—O4	1.4 (7)	C11—C10—N2—Ag2	170.5 (4)
C6—C1—C2—C3	3.1 (7)	O1ii—Ag2—N2—C9	35.7 (4)
C7—C1—C2—C3	−178.8 (4)	OW2—Ag2—N2—C9	−176.9 (4)
O4—C2—C3—C4	177.1 (4)	O1ii—Ag2—N2—C10	−135.8 (4)
C1—C2—C3—C4	−2.7 (7)	OW2—Ag2—N2—C10	11.6 (4)
C2—C3—C4—C5	−0.4 (7)	C12iii—C13—N3—C12	0.2 (8)
C3—C4—C5—C6	3.1 (7)	C12iii—C13—N3—Ag2	−177.7 (3)
C3—C4—C5—S1	−176.0 (4)	C13iii—C12—N3—C13	−0.2 (8)
C4—C5—C6—C1	−2.6 (7)	C13iii—C12—N3—Ag2	177.8 (3)
S1—C5—C6—C1	176.4 (3)	O1ii—Ag2—N3—C13	147.0 (4)
C2—C1—C6—C5	−0.4 (7)	OW2—Ag2—N3—C13	−0.1 (4)
C7—C1—C6—C5	−178.6 (4)	O1ii—Ag2—N3—C12	−30.8 (4)
C2—C1—C7—O5	174.9 (5)	OW2—Ag2—N3—C12	−177.9 (4)
C6—C1—C7—O5	−7.0 (7)	O5—C7—O6—Ag1	15.5 (7)
C2—C1—C7—O6	−4.6 (7)	C1—C7—O6—Ag1	−165.0 (3)
C6—C1—C7—O6	173.5 (4)	Ag2iv—O1—S1—O3	−50.2 (6)
N1—C8—C9—N2	1.2 (7)	Ag2iv—O1—S1—O2	76.5 (5)
N2—C10—C11—N1	0.5 (7)	Ag2iv—O1—S1—C5	−167.4 (4)
C9—C8—N1—C11	−1.8 (7)	C6—C5—S1—O1	−8.2 (5)
C9—C8—N1—Ag1	176.7 (3)	C4—C5—S1—O1	170.9 (4)
C10—C11—N1—C8	1.0 (7)	C6—C5—S1—O3	−132.0 (4)
C10—C11—N1—Ag1	−177.4 (4)	C4—C5—S1—O3	47.1 (5)
C8—C9—N2—C10	0.3 (7)	C6—C5—S1—O2	110.5 (4)
C8—C9—N2—Ag2	−171.9 (3)	C4—C5—S1—O2	−70.4 (4)

D—H···A	D—H	H···A	D···A	D—H···A
OW1—H1A···O5	0.88 (2)	1.89 (2)	2.751 (4)	168 (6)
OW1—H1B···O5v	0.89 (2)	2.00 (2)	2.883 (5)	173 (6)
OW2—H2A···O2v	0.88 (2)	1.91 (3)	2.757 (5)	161 (6)
OW2—H2B···OW1vi	0.89 (2)	2.03 (3)	2.794 (6)	143 (2)
O4—H4A···O6	0.82	1.84	2.556 (4)	146

Table 1

Selected bond lengths (Å)

Ag1—N1	2.180 (3)
Ag1—O3i	2.621 (3)
Ag1—O6	2.153 (3)
Ag2—N2	2.245 (3)
Ag2—N3	2.262 (3)
Ag2—O1ii	2.516 (4)
Ag2—OW2	2.576 (4)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
OW1—H1A⋯O5	0.88 (2)	1.89 (2)	2.751 (4)	168 (6)
OW1—H1B⋯O5iii	0.89 (2)	2.00 (2)	2.883 (5)	173 (6)
OW2—H2A⋯O2iii	0.88 (2)	1.91 (3)	2.757 (5)	161 (6)
OW2—H2B⋯OW1iv	0.89 (2)	2.03 (3)	2.794 (6)	143 (2)
O4—H4A⋯O6	0.82	1.84	2.556 (4)	146

Symmetry codes: (iii) ; (iv) .