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The title complex, [Ag(C7H4BrO3)]n, is a polymer based on a carboxyl­ate double-bridged centrosymmetric binuclear AgI fragment, the Ag...Ag distance being 2.8666 (8) Å. The Ag atom is coordinated also by the hydr­oxy O atom of 5-bromosalicylate, showing a deformed trigonal coordination geometry. In the crystal structure, two-dimensional sheets are formed parallel to (\overline{1}01).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806036397/ob2056sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806036397/ob2056Isup2.hkl
Contains datablock I

CCDC reference: 624943

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.021
  • wR factor = 0.050
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Poly[(µ3-5-bromosalicylato)silver(I)] top
Crystal data top
[Ag(C7H4BrO3)]F(000) = 608
Mr = 323.87Dx = 2.769 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 3652 reflections
a = 7.3160 (15) Åθ = 1.0–27.5°
b = 8.1710 (16) ŵ = 7.69 mm1
c = 13.051 (3) ÅT = 293 K
β = 95.14 (3)°Block, yellow
V = 777.0 (3) Å30.30 × 0.20 × 0.10 mm
Z = 4
Data collection top
Bruker APEX area-detector
diffractometer
1448 independent reflections
Radiation source: fine-focus sealed tube1364 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
φ and ω scansθmax = 25.5°, θmin = 2.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 88
Tmin = 0.172, Tmax = 0.463k = 99
7324 measured reflectionsl = 1515
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.021Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.050H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.018P)2 + 1.1193P]
where P = (Fo2 + 2Fc2)/3
1448 reflections(Δ/σ)max < 0.001
114 parametersΔρmax = 0.54 e Å3
13 restraintsΔρmin = 0.35 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.45585 (4)0.52833 (3)0.89224 (2)0.04821 (11)
O10.3223 (4)0.5591 (3)0.70855 (18)0.0511 (6)
C10.3161 (4)0.4667 (4)0.6218 (2)0.0324 (6)
C20.3840 (4)0.3088 (4)0.6291 (2)0.0353 (7)
H20.43130.26810.69260.042*
C30.3821 (4)0.2111 (4)0.5426 (2)0.0357 (7)
H30.42670.10450.54740.043*
C40.3129 (4)0.2744 (4)0.4485 (2)0.0339 (6)
C50.2452 (4)0.4308 (4)0.4399 (2)0.0322 (6)
H50.19870.47040.37610.039*
C60.2457 (4)0.5304 (3)0.5265 (2)0.0283 (6)
Br10.31373 (6)0.14358 (5)0.32788 (3)0.05414 (13)
C70.1698 (4)0.6999 (4)0.5154 (2)0.0318 (6)
O20.1759 (3)0.7862 (3)0.59730 (17)0.0442 (6)
O30.1050 (3)0.7453 (3)0.42919 (17)0.0417 (5)
H10.285 (7)0.660 (3)0.691 (4)0.084 (16)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0700 (2)0.03334 (16)0.03877 (16)0.01655 (12)0.00905 (13)0.00141 (10)
O10.0827 (18)0.0401 (14)0.0276 (12)0.0173 (13)0.0104 (12)0.0044 (10)
C10.0397 (16)0.0312 (15)0.0257 (15)0.0020 (12)0.0011 (12)0.0013 (12)
C20.0414 (17)0.0334 (16)0.0298 (16)0.0055 (13)0.0031 (13)0.0077 (13)
C30.0402 (16)0.0269 (15)0.0396 (17)0.0056 (12)0.0017 (13)0.0019 (13)
C40.0370 (16)0.0353 (17)0.0295 (15)0.0019 (13)0.0037 (12)0.0052 (12)
C50.0361 (15)0.0342 (16)0.0261 (15)0.0008 (13)0.0018 (12)0.0035 (12)
C60.0298 (14)0.0272 (14)0.0276 (15)0.0001 (11)0.0015 (11)0.0021 (11)
Br10.0679 (3)0.0526 (2)0.0413 (2)0.01105 (17)0.00198 (17)0.01774 (16)
C70.0335 (15)0.0296 (15)0.0319 (16)0.0001 (12)0.0011 (12)0.0042 (12)
O20.0620 (15)0.0311 (12)0.0370 (12)0.0129 (11)0.0096 (11)0.0050 (10)
O30.0577 (14)0.0344 (12)0.0324 (12)0.0126 (10)0.0006 (10)0.0073 (9)
Geometric parameters (Å, º) top
Ag1—Ag1i2.8666 (8)C3—H30.9300
Ag1—O12.519 (2)C4—C51.372 (4)
Ag1—O2ii2.210 (2)C4—Br11.903 (3)
Ag1—O3iii2.179 (2)C5—C61.392 (4)
O1—C11.358 (4)C5—H50.9300
O1—H10.89 (3)C6—C71.494 (4)
C1—C21.383 (4)C7—O31.239 (4)
C1—C61.403 (4)C7—O21.278 (4)
C2—C31.382 (4)O2—Ag1iv2.210 (2)
C2—H20.9300O3—Ag1v2.179 (2)
C3—C41.386 (4)
O3iii—Ag1—O2ii163.42 (8)C2—C3—H3120.5
O3iii—Ag1—O1105.65 (9)C4—C3—H3120.5
O2ii—Ag1—O190.80 (9)C5—C4—C3121.3 (3)
O3iii—Ag1—Ag1i81.70 (6)C5—C4—Br1118.9 (2)
O2ii—Ag1—Ag1i81.72 (6)C3—C4—Br1119.7 (2)
O1—Ag1—Ag1i169.74 (7)C4—C5—C6120.3 (3)
C1—O1—Ag1135.97 (19)C4—C5—H5119.9
C1—O1—H1108 (3)C6—C5—H5119.9
Ag1—O1—H1115 (3)C5—C6—C1118.5 (3)
O1—C1—C2118.5 (3)C5—C6—C7119.3 (3)
O1—C1—C6121.0 (3)C1—C6—C7122.2 (3)
C2—C1—C6120.5 (3)O3—C7—O2125.2 (3)
C3—C2—C1120.4 (3)O3—C7—C6118.3 (3)
C3—C2—H2119.8O2—C7—C6116.5 (3)
C1—C2—H2119.8C7—O2—Ag1iv124.28 (19)
C2—C3—C4119.0 (3)C7—O3—Ag1v126.8 (2)
Symmetry codes: (i) x+1, y+1, z+2; (ii) x+1/2, y1/2, z+3/2; (iii) x+1/2, y+3/2, z+1/2; (iv) x+1/2, y+1/2, z+3/2; (v) x1/2, y+3/2, z1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···O20.89 (3)1.73 (3)2.534 (3)147 (5)
 

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