Information card for entry 2011351

Structure parameters

• Chemical name: N-benzylideneaniline(pentacarbonyl)chromium(0)
• Formula: C18 H11 Cr N O5
• Calculated formula: C18 H11 Cr N O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[N](=Cc1ccccc1)c1ccccc1
• Title of publication: [<i>N</i>-(Benzylidene)aniline-<i>N</i>]pentacarbonylchromium(0)
• Authors of publication: Nieger, Martin; Liptau, Patrick; Dötz, Karl Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e390 - e391
• a: 13.0959 ± 0.0012 Å
• b: 15.3703 ± 0.0013 Å
• c: 8.7107 ± 0.0003 Å
• α: 90°
• β: 108.86 ± 0.004°
• γ: 90°
• Cell volume: 1659.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes