Information card for entry 4116976

Structure parameters

• Formula: C12 H16 Mo
• Calculated formula: C12 H16 Mo
• Title of publication: Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes
• Authors of publication: Li-Sheng Wang; James C. Fettinger; Rinaldo Poli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 4453 - 4464
• a: 11.9689 ± 0.0006 Å
• b: 11.6175 ± 0.0011 Å
• c: 7.4177 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1031.42 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0338
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.0838
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No