Information card for entry 8101983

Structure parameters

• Chemical name: bis(6,6-dimethylcyclohexadienyl)vanadium
• Formula: C16 H22 V
• Calculated formula: C16 H22 V
• SMILES: [V]12345678([CH]9=[CH]1[CH]2=[CH]3C4C9(C)C)C1[CH]5=[CH]6[CH]7=[CH]8C1(C)C
• Title of publication: Crystal structure of bis(6,6-dimethylcyclohexadienyl)vanadium, V(C~8~H~11~) ~2~
• Authors of publication: Ernst, R. D.; Basta, R.; Arif, A. M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 289 - 290
• a: 12.16 ± 0.0003 Å
• b: 9.0848 ± 0.0003 Å
• c: 13.2123 ± 0.0004 Å
• α: 90°
• β: 104.822 ± 0.0016°
• γ: 90°
• Cell volume: 1411.01 ± 0.07 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No