Information card for entry 2004260

Structure parameters

• Chemical name: [2(E)-1-amino-3-dimethylamino-3-phenylpropen-1-ylidene]pentacarbonyl
• Formula: C16 H14 Cr N2 O5
• Calculated formula: C16 H14 Cr N2 O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(/C=C(/N(C)C)c1ccccc1)N
• Title of publication: Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes
• Authors of publication: Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2503 - 2508
• a: 12.658 ± 0.001 Å
• b: 14.186 ± 0.002 Å
• c: 9.527 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1710.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No