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In the title compound, [Ag2(C12H12N2)2](C4H2O4)·9H2O, the N-heterocycle links adjacent Ag atoms into a polycationic chain; the Ag atom shows linear coordination. The Ag atom lies on a special position of \overline{1} site symmetry, the N-heterocycle about another special position of \overline{1} site symmetry, the dianion about a special position of 2 site symmetry and one water O atom on a special position of 222 site symmetry. The anion and solvent water mol­ecules are hydrogen bonded into a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807017187/xu2221sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807017187/xu2221Isup2.hkl
Contains datablock I

CCDC reference: 647468

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.005 Å
  • Disorder in solvent or counterion
  • R factor = 0.035
  • wR factor = 0.107
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O2W - H22 ... ? PLAT737_ALERT_1_B D...A Calc 2.780(3), Rep 2.78(2) ...... 6.67 su-Ra O3W -O1W 1.555 1.555
Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C7 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.68 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 29.00 Perc. PLAT415_ALERT_2_C Short Inter D-H..H-X H8 .. H21 .. 2.11 Ang. PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.15 Ratio
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2007).

catena-Poly[[silver(I)-µ-1,2-di-4-pyridylethane-κ2N:N'] hemifumarate 4.5-hydrate] top
Crystal data top
[Ag2(C12H12N2)2](C4H2O4)·9H2OF(000) = 3504
Mr = 860.41Dx = 1.651 Mg m3
Orthorhombic, FdddMo Kα radiation, λ = 0.71073 Å
Hall symbol: -F 2uv 2vwCell parameters from 2740 reflections
a = 13.557 (1) Åθ = 2.7–26.0°
b = 15.284 (1) ŵ = 1.20 mm1
c = 33.413 (3) ÅT = 295 K
V = 6923.3 (9) Å3Block, colorless
Z = 80.45 × 0.38 × 0.21 mm
Data collection top
Bruker APEXII
diffractometer
1984 independent reflections
Radiation source: medium-focus sealed tube1445 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
φ and ω scansθmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1417
Tmin = 0.586, Tmax = 0.780k = 1719
9866 measured reflectionsl = 4335
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.035H-atom parameters constrained
wR(F2) = 0.107 w = 1/[σ2(Fo2) + (0.0554P)2 + 4.3764P]
where P = (Fo2 + 2Fc2)/3
S = 1.11(Δ/σ)max = 0.001
1984 reflectionsΔρmax = 0.44 e Å3
128 parametersΔρmin = 0.33 e Å3
5 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00016 (3)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ag10.75000.50000.25000.0665 (2)
O1w0.7626 (2)0.5136 (2)0.1598 (1)0.0733 (7)
O2w0.7226 (2)0.3603 (2)0.1178 (1)0.0911 (8)
O3w0.62500.62500.12500.063 (1)
N10.5922 (2)0.5158 (2)0.2464 (1)0.0487 (6)
C10.5433 (2)0.5054 (2)0.2121 (1)0.061 (1)
C20.4425 (2)0.5121 (2)0.2090 (1)0.062 (1)
C30.3867 (2)0.5307 (2)0.2424 (1)0.054 (1)
C40.4372 (2)0.5426 (2)0.2778 (1)0.061 (1)
C50.5383 (2)0.5350 (2)0.2785 (1)0.057 (1)
C60.2758 (2)0.5370 (3)0.2401 (1)0.072 (1)
O10.947 (1)0.561 (1)0.1285 (6)0.077 (4)0.50
O20.933 (1)0.706 (1)0.1243 (5)0.071 (4)0.50
C70.9802 (4)0.637 (2)0.1265 (4)0.054 (4)0.50
C81.0885 (3)0.6538 (3)0.1264 (3)0.073 (2)0.50
H110.82060.53110.15330.088*
H120.75360.46300.14960.088*
H210.75090.31110.12090.109*
H220.73620.37580.09290.109*
H310.63400.59040.14440.076*0.50
H10.57930.49290.18910.073*
H20.41200.50410.18430.075*
H40.40300.55560.30120.073*
H50.57080.54390.30270.068*
H6a0.25500.59130.25260.086*
H6b0.25620.53910.21220.086*
H81.10730.71230.12640.088*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0226 (2)0.0676 (3)0.1092 (4)0.0011 (1)0.0030 (2)0.0011 (2)
O1w0.050 (1)0.083 (2)0.087 (2)0.003 (1)0.000 (1)0.004 (1)
O2w0.094 (2)0.081 (2)0.098 (2)0.001 (2)0.005 (2)0.019 (2)
O3w0.048 (3)0.065 (3)0.076 (3)0.0000.0000.000
N10.025 (1)0.060 (2)0.061 (1)0.000 (1)0.001 (1)0.002 (1)
C10.037 (2)0.096 (3)0.051 (2)0.006 (2)0.003 (1)0.001 (2)
C20.039 (2)0.098 (3)0.049 (2)0.009 (2)0.008 (1)0.006 (2)
C30.026 (1)0.063 (2)0.072 (2)0.003 (1)0.004 (1)0.011 (1)
C40.034 (2)0.089 (2)0.059 (2)0.001 (2)0.005 (1)0.007 (2)
C50.036 (2)0.079 (2)0.056 (2)0.002 (1)0.004 (1)0.004 (2)
C60.024 (1)0.084 (2)0.108 (3)0.003 (2)0.003 (2)0.024 (2)
O10.040 (5)0.055 (7)0.137 (9)0.000 (6)0.004 (5)0.004 (6)
O20.048 (6)0.08 (1)0.082 (5)0.011 (5)0.001 (4)0.006 (5)
C70.031 (2)0.08 (1)0.052 (3)0.015 (6)0.005 (5)0.009 (5)
C80.035 (3)0.053 (4)0.131 (5)0.007 (2)0.008 (4)0.009 (5)
Geometric parameters (Å, º) top
Ag1—N12.157 (3)C8—C8iii1.324 (5)
Ag1—N1i2.157 (3)O1w—H110.86
Ag1—O1w3.027 (3)O1w—H120.85
N1—C51.329 (4)O2w—H210.85
N1—C11.333 (4)O2w—H220.89
C1—C21.374 (5)O3w—H310.84
C2—C31.378 (4)C1—H10.93
C3—C41.380 (4)C2—H20.93
C3—C61.508 (4)C4—H40.93
C4—C51.376 (4)C5—H50.93
C6—C6ii1.486 (8)C6—H6a0.97
O1—C71.242 (5)C6—H6a0.97
O2—C71.242 (5)C8—H80.93
C7—C81.491 (5)
N1i—Ag1—N1180Ag1—O1w—H12109.0
N1i—Ag1—O1w90.39 (7)H11—O1w—H12108.4
N1—Ag1—O1w89.61 (7)H21—O2w—H22104.9
C5—N1—C1116.5 (3)N1—C1—H1118.3
C5—N1—Ag1121.7 (2)C2—C1—H1118.3
C1—N1—Ag1121.8 (2)C1—C2—H2120.0
N1—C1—C2123.4 (3)C3—C2—H2120.0
C1—C2—C3120.0 (3)C5—C4—H4120.1
C2—C3—C4116.7 (3)C3—C4—H4120.1
C2—C3—C6121.3 (3)N1—C5—H5118.2
C4—C3—C6122.0 (3)C4—C5—H5118.2
C5—C4—C3119.8 (3)C6ii—C6—H6a108.9
N1—C5—C4123.5 (3)C3—C6—H6a108.9
C6ii—C6—C3113.5 (4)C6ii—C6—H6b108.9
O1—C7—O2127.6 (6)C3—C6—H6b108.9
O1—C7—C8121 (2)H6a—C6—H6b107.7
O2—C7—C8111 (2)C7—C8—H8115.8
Ag1—O1w—H11108.8
O1w—Ag1—N1—C5165.0 (2)C1—N1—C5—C41.4 (5)
O1w—Ag1—N1—C116.1 (2)Ag1—N1—C5—C4177.6 (2)
C5—N1—C1—C21.1 (5)C3—C4—C5—N10.7 (5)
Ag1—N1—C1—C2177.8 (2)C2—C3—C6—C6ii108.9 (5)
N1—C1—C2—C30.2 (5)C4—C3—C6—C6ii70.5 (6)
C1—C2—C3—C40.5 (5)O1—C7—C8—C8iii3.6 (6)
C1—C2—C3—C6178.9 (3)O2—C7—C8—C8iii176.4 (5)
C2—C3—C4—C50.3 (5)O2iv—C7—C8—C8iii1 (2)
C6—C3—C4—C5179.1 (3)
Symmetry codes: (i) x+3/2, y+1, z+1/2; (ii) x+1/2, y+1, z+1/2; (iii) x+9/4, y+5/4, z; (iv) x, y+5/4, z+1/4.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H11···O10.861.962.80 (2)169
O1w—H11···O2iv0.861.792.62 (2)160
O2w—H21···O1v0.852.022.86 (2)174
O2w—H21···O2vi0.851.842.69 (2)177
O3w—H31···O1w0.842.162.78 (2)130
Symmetry codes: (iv) x, y+5/4, z+1/4; (v) x+7/4, y+3/4, z; (vi) x+7/4, y1/2, z+1/4.
 

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