Information card for entry 4077192

Structure parameters

• Chemical name: η^^-1,2,3,4,5,6,7,8-Octamethylbiphenylenechromium(0)tricarbonyl
• Formula: C23 H24 Cr O3
• Calculated formula: C23 H24 Cr O3
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]67[c]1([c]2([c]3([c]4([c]56c1c(c(c(c(c71)C)C)C)C)C)C)C)C
• 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: 9.2859 ± 0.0005 Å
• b: 12.5942 ± 0.0007 Å
• c: 16.1218 ± 0.0009 Å
• α: 90°
• β: 94.313 ± 0.001°
• γ: 90°
• Cell volume: 1880.08 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.0903
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No