Information card for entry 2210314

Structure parameters

• Chemical name: [η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile] tricarbonylchromium(0)
• Formula: C17 H10 Cr N2 O4
• Calculated formula: C17 H10 Cr N2 O4
• SMILES: [Cr]12345([cH]6[cH]1[cH]4[cH]3[c]2([cH]56)C(=O)C(=C1NC=CC=C1)C#N)(C#[O])(C#[O])C#[O]
• Title of publication: [η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile]tricarbonylchromium(0)
• Authors of publication: Duke, III, Charles B.; Ross, II, Charles R.; Burkey, Theodore J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2086 - m2088
• a: 13.6266 ± 0.0004 Å
• b: 10.3234 ± 0.0003 Å
• c: 20.6939 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2911.07 ± 0.15 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes