| Literature DB >> 21579635 |
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
| [Ag(C3H3N4O2)] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 3600 reflections | |
| θ = 1.4–28° | |
| µ = 3.56 mm−1 | |
| α = 109.40 (3)° | |
| β = 98.87 (3)° | Block, blue |
| γ = 104.85 (3)° | 0.25 × 0.23 × 0.21 mm |
| Rigaku/MSC Mercury CCD diffractometer | 1267 independent reflections |
| Radiation source: fine-focus sealed tube | 1150 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 3.2° |
| Absorption correction: multi-scan (REQAB; Jacobson, 1998) | |
| 2722 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max < 0.001 | |
| 1267 reflections | Δρmax = 2.15 e Å−3 |
| 92 parameters | Δρmin = −0.97 e Å−3 |
| 0 restraints | Extinction correction: |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.052 (15) |
| Ag1 | 0.61189 (17) | −0.19436 (12) | −0.05077 (10) | 0.0387 (5) | |
| O1 | 0.9281 (15) | 0.0639 (10) | 0.2082 (10) | 0.0365 (16) | |
| O2 | 0.6195 (14) | 0.1949 (12) | 0.3227 (10) | 0.0360 (16) | |
| N1 | 0.9120 (16) | 0.3243 (11) | 0.6770 (10) | 0.0277 (16) | |
| N2 | 0.872 (2) | 0.4946 (12) | 0.7248 (12) | 0.0376 (19) | |
| N3 | 0.7161 (19) | 0.4973 (12) | 0.8396 (12) | 0.0363 (19) | |
| N4 | 0.656 (2) | 0.3322 (13) | 0.8697 (12) | 0.0351 (18) | |
| C1 | 0.8444 (18) | 0.1645 (13) | 0.3374 (12) | 0.0265 (17) | |
| C2 | 1.0509 (18) | 0.2615 (13) | 0.5323 (12) | 0.0267 (17) | |
| H2A | 1.1368 | 0.1710 | 0.5545 | 0.032* | |
| H2B | 1.1964 | 0.3719 | 0.5373 | 0.032* | |
| C3 | 0.781 (2) | 0.2254 (15) | 0.7646 (14) | 0.034 (2) | |
| H3 | 0.7775 | 0.1022 | 0.7545 | 0.041* |
| Ag1 | 0.0430 (6) | 0.0441 (6) | 0.0259 (5) | 0.0145 (4) | 0.0071 (3) | 0.0105 (3) |
| O1 | 0.033 (3) | 0.031 (3) | 0.034 (4) | 0.013 (3) | 0.010 (3) | −0.003 (3) |
| O2 | 0.028 (3) | 0.055 (4) | 0.029 (3) | 0.020 (3) | 0.008 (3) | 0.016 (3) |
| N1 | 0.033 (4) | 0.030 (4) | 0.021 (3) | 0.011 (3) | 0.008 (3) | 0.009 (3) |
| N2 | 0.051 (5) | 0.027 (4) | 0.033 (4) | 0.013 (4) | 0.017 (4) | 0.008 (3) |
| N3 | 0.045 (5) | 0.030 (4) | 0.030 (4) | 0.010 (4) | 0.012 (4) | 0.008 (3) |
| N4 | 0.048 (5) | 0.034 (4) | 0.030 (4) | 0.020 (4) | 0.017 (4) | 0.014 (3) |
| C1 | 0.026 (4) | 0.028 (4) | 0.025 (4) | 0.010 (3) | 0.005 (3) | 0.009 (3) |
| C2 | 0.023 (4) | 0.032 (4) | 0.022 (4) | 0.010 (3) | 0.003 (3) | 0.007 (3) |
| C3 | 0.041 (5) | 0.033 (5) | 0.032 (5) | 0.014 (4) | 0.013 (4) | 0.015 (4) |
| Ag1—O1 | 2.330 (7) | N1—C2 | 1.453 (11) |
| Ag1—O2i | 2.282 (7) | N2—N3 | 1.297 (12) |
| Ag1—N3ii | 2.494 (9) | N3—N4 | 1.350 (12) |
| Ag1—N4iii | 2.442 (8) | N4—C3 | 1.331 (13) |
| O1—C1 | 1.270 (11) | C1—C2 | 1.540 (12) |
| O2—C1 | 1.238 (11) | C2—H2A | 0.9700 |
| N1—C3 | 1.324 (12) | C2—H2B | 0.9700 |
| N1—N2 | 1.331 (12) | C3—H3 | 0.9300 |
| O2i—Ag1—O1 | 129.2 (3) | C3—N4—N3 | 105.1 (8) |
| O2i—Ag1—N4iii | 118.7 (3) | C3—N4—Ag1iii | 117.8 (6) |
| O1—Ag1—N4iii | 95.0 (3) | N3—N4—Ag1iii | 137.0 (6) |
| O2i—Ag1—N3ii | 102.2 (3) | O2—C1—O1 | 127.3 (9) |
| O1—Ag1—N3ii | 118.0 (3) | O2—C1—C2 | 117.2 (8) |
| N4iii—Ag1—N3ii | 86.0 (3) | O1—C1—C2 | 115.5 (8) |
| C1—O1—Ag1 | 120.6 (6) | N1—C2—C1 | 111.1 (7) |
| C1—O2—Ag1i | 121.2 (6) | N1—C2—H2A | 109 |
| C3—N1—N2 | 109.2 (8) | C1—C2—H2A | 109 |
| C3—N1—C2 | 128.9 (8) | N1—C2—H2B | 109 |
| N2—N1—C2 | 121.4 (8) | C1—C2—H2B | 109 |
| N3—N2—N1 | 106.3 (8) | H2A—C2—H2B | 108 |
| N2—N3—N4 | 111.0 (8) | N1—C3—N4 | 108.4 (9) |
| N2—N3—Ag1iv | 112.1 (6) | N1—C3—H3 | 126 |
| N4—N3—Ag1iv | 136.9 (6) | N4—C3—H3 | 126 |
Selected bond lengths (Å)
| Ag1—O1 | 2.330 (7) |
| Ag1—O2i | 2.282 (7) |
| Ag1—N3ii | 2.494 (9) |
| Ag1—N4iii | 2.442 (8) |
Symmetry codes: (i) ; (ii) ; (iii) .