Literature DB >> 21579635

Poly[(μ(4)-tetra-zole-1-acetato-κN:N:O:O')silver(I)].

Shi-Jie Li, Hao Wang, Wen-Dong Song, Shi-Wei Hu, Pei-Wen Qin.   

Abstract

In the title complex, [Ag(C(3)H(3)N(4)O(2))](n), the Ag(I) atom is four-coordinated in a slightly distorted tetra-hedral coordination geometry by two N atoms from two tetra-zole-1-acetate (tza) ligands and two O atoms from the other two tza ligands. The tza ligand bridges two Ag atoms through the carboxyl-ate O atoms and simultaneously binds to the other two Ag atoms through the tetra-zole N atoms, forming a two-dimensional network parallel to (100).

Entities:  

Year:  2010        PMID: 21579635      PMCID: PMC2979805          DOI: 10.1107/S1600536810001236

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For the diverse coordination modes and potential applications of metal complexes with tetra­zole derivatives, see: Stagni et al. (2006 ▶); Ye et al. (2006 ▶).

Experimental

Crystal data

[Ag(C3H3N4O2)] M = 234.96 Triclinic, a = 5.1584 (10) Å b = 7.7805 (16) Å c = 7.8711 (16) Å α = 109.40 (3)° β = 98.87 (3)° γ = 104.85 (3)° V = 277.92 (14) Å3 Z = 2 Mo Kα radiation μ = 3.56 mm−1 T = 293 K 0.25 × 0.23 × 0.21 mm

Data collection

Rigaku/MSC Mercury CCD diffractometer Absorption correction: multi-scan (REQAB; Jacobson, 1998 ▶) T min = 0.470, T max = 0.522 2722 measured reflections 1267 independent reflections 1150 reflections with I > 2σ(I) R int = 0.056

Refinement

R[F 2 > 2σ(F 2)] = 0.062 wR(F 2) = 0.177 S = 1.23 1267 reflections 92 parameters H-atom parameters constrained Δρmax = 2.15 e Å−3 Δρmin = −0.97 e Å−3 Data collection: CrystalStructure (Rigaku/MSC, 2002 ▶); cell refinement: CrystalStructure; data reduction: CrystalStructure; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPII (Johnson, 1976 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810001236/hy2270sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810001236/hy2270Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ag(C3H3N4O2)]Z = 2
Mr = 234.96F(000) = 224
Triclinic, P1Dx = 2.808 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 5.1584 (10) ÅCell parameters from 3600 reflections
b = 7.7805 (16) Åθ = 1.4–28°
c = 7.8711 (16) ŵ = 3.56 mm1
α = 109.40 (3)°T = 293 K
β = 98.87 (3)°Block, blue
γ = 104.85 (3)°0.25 × 0.23 × 0.21 mm
V = 277.92 (14) Å3
Rigaku/MSC Mercury CCD diffractometer1267 independent reflections
Radiation source: fine-focus sealed tube1150 reflections with I > 2σ(I)
graphiteRint = 0.056
ω scansθmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan (REQAB; Jacobson, 1998)h = −6→6
Tmin = 0.470, Tmax = 0.522k = −9→10
2722 measured reflectionsl = −10→9
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.062H-atom parameters constrained
wR(F2) = 0.177w = 1/[σ2(Fo2) + (0.0519P)2 + 3.2858P] where P = (Fo2 + 2Fc2)/3
S = 1.23(Δ/σ)max < 0.001
1267 reflectionsΔρmax = 2.15 e Å3
92 parametersΔρmin = −0.97 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.052 (15)
xyzUiso*/Ueq
Ag10.61189 (17)−0.19436 (12)−0.05077 (10)0.0387 (5)
O10.9281 (15)0.0639 (10)0.2082 (10)0.0365 (16)
O20.6195 (14)0.1949 (12)0.3227 (10)0.0360 (16)
N10.9120 (16)0.3243 (11)0.6770 (10)0.0277 (16)
N20.872 (2)0.4946 (12)0.7248 (12)0.0376 (19)
N30.7161 (19)0.4973 (12)0.8396 (12)0.0363 (19)
N40.656 (2)0.3322 (13)0.8697 (12)0.0351 (18)
C10.8444 (18)0.1645 (13)0.3374 (12)0.0265 (17)
C21.0509 (18)0.2615 (13)0.5323 (12)0.0267 (17)
H2A1.13680.17100.55450.032*
H2B1.19640.37190.53730.032*
C30.781 (2)0.2254 (15)0.7646 (14)0.034 (2)
H30.77750.10220.75450.041*
U11U22U33U12U13U23
Ag10.0430 (6)0.0441 (6)0.0259 (5)0.0145 (4)0.0071 (3)0.0105 (3)
O10.033 (3)0.031 (3)0.034 (4)0.013 (3)0.010 (3)−0.003 (3)
O20.028 (3)0.055 (4)0.029 (3)0.020 (3)0.008 (3)0.016 (3)
N10.033 (4)0.030 (4)0.021 (3)0.011 (3)0.008 (3)0.009 (3)
N20.051 (5)0.027 (4)0.033 (4)0.013 (4)0.017 (4)0.008 (3)
N30.045 (5)0.030 (4)0.030 (4)0.010 (4)0.012 (4)0.008 (3)
N40.048 (5)0.034 (4)0.030 (4)0.020 (4)0.017 (4)0.014 (3)
C10.026 (4)0.028 (4)0.025 (4)0.010 (3)0.005 (3)0.009 (3)
C20.023 (4)0.032 (4)0.022 (4)0.010 (3)0.003 (3)0.007 (3)
C30.041 (5)0.033 (5)0.032 (5)0.014 (4)0.013 (4)0.015 (4)
Ag1—O12.330 (7)N1—C21.453 (11)
Ag1—O2i2.282 (7)N2—N31.297 (12)
Ag1—N3ii2.494 (9)N3—N41.350 (12)
Ag1—N4iii2.442 (8)N4—C31.331 (13)
O1—C11.270 (11)C1—C21.540 (12)
O2—C11.238 (11)C2—H2A0.9700
N1—C31.324 (12)C2—H2B0.9700
N1—N21.331 (12)C3—H30.9300
O2i—Ag1—O1129.2 (3)C3—N4—N3105.1 (8)
O2i—Ag1—N4iii118.7 (3)C3—N4—Ag1iii117.8 (6)
O1—Ag1—N4iii95.0 (3)N3—N4—Ag1iii137.0 (6)
O2i—Ag1—N3ii102.2 (3)O2—C1—O1127.3 (9)
O1—Ag1—N3ii118.0 (3)O2—C1—C2117.2 (8)
N4iii—Ag1—N3ii86.0 (3)O1—C1—C2115.5 (8)
C1—O1—Ag1120.6 (6)N1—C2—C1111.1 (7)
C1—O2—Ag1i121.2 (6)N1—C2—H2A109
C3—N1—N2109.2 (8)C1—C2—H2A109
C3—N1—C2128.9 (8)N1—C2—H2B109
N2—N1—C2121.4 (8)C1—C2—H2B109
N3—N2—N1106.3 (8)H2A—C2—H2B108
N2—N3—N4111.0 (8)N1—C3—N4108.4 (9)
N2—N3—Ag1iv112.1 (6)N1—C3—H3126
N4—N3—Ag1iv136.9 (6)N4—C3—H3126
Table 1

Selected bond lengths (Å)

Ag1—O12.330 (7)
Ag1—O2i2.282 (7)
Ag1—N3ii2.494 (9)
Ag1—N4iii2.442 (8)

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

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