Information card for entry 4116975

Structure parameters

• Formula: C12 H16 F6 Mo P
• Calculated formula: C12 H16 F6 Mo P
• 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: 7.6228 ± 0.0005 Å
• b: 23.336 ± 0.002 Å
• c: 7.7887 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1385.5 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.0964
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No