Information card for entry 1515704

Structure parameters

• Formula: C27 H23 Ag N4 O2
• Calculated formula: C27 H23 Ag N4 O2
• SMILES: [Ag](=C1N(Cc2ccc(C#N)cc2)c2cc(c(cc2N1Cc1ccc(C#N)cc1)C)C)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: 15.3823 ± 0.0001 Å
• b: 7.83949 ± 0.00007 Å
• c: 19.8044 ± 0.0002 Å
• α: 90°
• β: 96.7996 ± 0.0007°
• γ: 90°
• Cell volume: 2371.4 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No