Information card for entry 8102168

Structure parameters

• Chemical name: bis(η^5^-6,6-dimethylcyclohexadienyl)chromium
• Formula: C16 H22 Cr
• Calculated formula: C16 H22 Cr
• SMILES: [Cr]12345678([CH]9=[CH]1[CH]2=[CH]3C4C9(C)C)[CH]1=[CH]5[CH]6=[CH]7C8C1(C)C
• Title of publication: Crystal structure of bis(η^5^-6,6-dimethylcyclohexadienyl)chromium, Cr(C~8~H~11~)~2~
• Authors of publication: Ernst, Richard D.; Basta, Rehan; Arif, Atta M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 335 - 336
• a: 7.6112 ± 0.0002 Å
• b: 9.2521 ± 0.0004 Å
• c: 20.2174 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1423.7 ± 0.1 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No