Information card for entry 2205644

Structure parameters

• Chemical name: Tricarbonyl[η^6^-(R)-N,N-dimethyl-1-phenylethylamine]chromium(0)
• Formula: C13 H15 Cr N O3
• Calculated formula: C13 H15 Cr N O3
• SMILES: [Cr]12345(C#[O])(C#[O])([cH]6[c]2([cH]5[cH]4[cH]1[cH]36)[C@H](N(C)C)C)C#[O]
• Title of publication: Tricarbonyl[η^6^-(<i>R</i>)-<i>N,N</i>-dimethyl-1-phenylethylamine]chromium(0)
• Authors of publication: Braun, Wolfgang; Calmuschi, Beatrice; Salzer, Albrecht
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m828 - m829
• a: 10.6453 ± 0.0018 Å
• b: 10.7928 ± 0.0019 Å
• c: 11.458 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1316.4 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes