Information card for entry 1515701

Structure parameters

• Formula: C23 H25 Br N2 O
• Calculated formula: C23 H25 Br N2 O
• SMILES: [Br-].c1ccccc1Cn1c[n+](c2c1cc(C)c(C)c2)Cc1ccccc1.O
• 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: 9.9811 ± 0.0003 Å
• b: 10.0794 ± 0.0004 Å
• c: 11.7361 ± 0.0003 Å
• α: 67.423 ± 0.003°
• β: 82.718 ± 0.003°
• γ: 76.645 ± 0.003°
• Cell volume: 1059.77 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No