Information card for entry 2014426

Structure parameters

• Chemical name: (η^6^-Biphenyl)tricarbonylchromium
• Formula: C15 H10 Cr O3
• Calculated formula: C15 H10 Cr O3
• SMILES: [Cr]([cH]12)([cH]13)([cH]21)([cH]12)([cH]21)([c]13c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: (η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)
• Authors of publication: Ilia A. Guzei; Curtis J. Czerwinski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m615 - m617
• a: 12.3982 ± 0.0005 Å
• b: 7.1029 ± 0.0003 Å
• c: 14.8428 ± 0.0006 Å
• α: 90°
• β: 108.969 ± 0.001°
• γ: 90°
• Cell volume: 1236.12 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes