Information card for entry 4077190

Structure parameters

• Chemical name: η^6^-1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethanoanthracene- chromium(0)tricarbonyl
• Formula: C19 H18 Cr O3
• Calculated formula: C19 H18 Cr O3
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]67[c]1([cH]2[c]13[c]4([cH]56)[C@@H]2CC[C@H]1C2)[C@H]1CC[C@@H]7C1
• Title of publication: Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures
• Authors of publication: Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 115
• a: 9.879 ± 0.0003 Å
• b: 12.7753 ± 0.0004 Å
• c: 12.5201 ± 0.0004 Å
• α: 90°
• β: 104.85 ± 0.01°
• γ: 90°
• Cell volume: 1527.35 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1509
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections: 0.2002
• Weighted residual factors for significantly intense reflections: 0.1589
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No