Information card for entry 2229507

Structure parameters

• Chemical name: (η^4^-<i>s</i>-<i>cis</i>-1,3-Butadiene)tetracarbonylchromium(0)
• Formula: C8 H6 Cr O4
• Calculated formula: C8 H6 Cr O4
• SMILES: [Cr]123(C#[O])(C#[O])(C#[O])(C#[O])[CH]([CH]1=[CH2]2)=[CH2]3
• Title of publication: (η^4^-<i>s</i>-<i>cis</i>-1,3-Butadiene)tetracarbonylchromium(0)
• Authors of publication: Reiss, Guido J.; Finze, Maik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m333
• a: 6.4011 ± 0.0008 Å
• b: 6.7666 ± 0.0008 Å
• c: 11.0642 ± 0.001 Å
• α: 84.728 ± 0.007°
• β: 81.84 ± 0.008°
• γ: 69.127 ± 0.008°
• Cell volume: 442.8 ± 0.09 ų
• Cell temperature: 137 ± 1 K
• Ambient diffraction temperature: 137 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes