Information card for entry 2204095

Structure parameters

• Common name: Chromium hexacarbonyl
• Chemical name: Hexacarbonylchromium(0)
• Formula: C6 Cr O6
• Calculated formula: C6 Cr O6
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Hexacarbonylchromium(0) at 11K
• Authors of publication: Figgis, Brian N.; Sobolev, Alexandre N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: i93 - i94
• a: 11.474 ± 0.001 Å
• b: 10.894 ± 0.001 Å
• c: 6.1885 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 773.55 ± 0.11 ų
• Cell temperature: 11 ± 0.5 K
• Ambient diffraction temperature: 11 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes