Information card for entry 1515702

Structure parameters

• Formula: C25 H21 Br N4
• Calculated formula: C25 H21 Br N4
• SMILES: [Br-].c1cc(C#N)ccc1Cn1c[n+](c2c1cc(c(c2)C)C)Cc1ccc(C#N)cc1
• 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: 7.269 ± 0.00004 Å
• b: 12.62118 ± 0.00006 Å
• c: 23.4502 ± 0.0001 Å
• α: 90°
• β: 97.0346 ± 0.0005°
• γ: 90°
• Cell volume: 2135.21 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No