Information card for entry 1515703

Structure parameters

• Formula: C14 H12 Ag Cl2 N3 O2
• Calculated formula: C14 H12 Ag Cl2 N3 O2
• SMILES: [Ag](=C1N(Cc2ccc(C#N)cc2)C(Cl)=C(Cl)N1C)OC(=O)C
• Title of publication: Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.
• Authors of publication: Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 74 - 88
• a: 4.40268 ± 0.00004 Å
• b: 16.737 ± 0.0002 Å
• c: 21.1545 ± 0.0002 Å
• α: 90°
• β: 91.612 ± 0.001°
• γ: 90°
• Cell volume: 1558.21 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No