Information card for entry 2011877

Structure parameters

• Chemical name: Pentacarbonyl(2-phenylpyridine)chromium(0)
• Formula: C16 H9 Cr N O5
• Calculated formula: C16 H9 Cr N O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[n]1ccccc1c1ccccc1
• Title of publication: Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)
• Authors of publication: Creaven, Bernadette S.; Howie, R. Alan; Long, Conor
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 385 - 387
• a: 6.223 ± 0.004 Å
• b: 13.635 ± 0.012 Å
• c: 18.17 ± 0.009 Å
• α: 90°
• β: 92.6 ± 0.05°
• γ: 90°
• Cell volume: 1540.1 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.203
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes