Information card for entry 2204834

Structure parameters

• Chemical name: (η^6^-N,N-Dimethylaniline)tricarbonylchromium
• Formula: C11 H11 Cr N O3
• Calculated formula: C11 H11 Cr N O3
• SMILES: [Cr]12345([c]6([cH]4[cH]2[cH]1[cH]5[cH]36)N(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^6^-<i>N,N</i>-dimethylaniline)chromium(0)
• Authors of publication: Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m23 - m24
• a: 7.0974 ± 0.0005 Å
• b: 12.6169 ± 0.0008 Å
• c: 14.0477 ± 0.0009 Å
• α: 115.397 ± 0.001°
• β: 90.959 ± 0.001°
• γ: 102.666 ± 0.001°
• Cell volume: 1099.92 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes