Information card for entry 4101513

Structure parameters

• Formula: C13 H15 F Mo O2
• Calculated formula: C13 H15 F Mo O2
• Title of publication: The simplest binary fluorocarbon as a ligand. Synthetic, spectroscopic, crystallographic, and computational studies of a molybdenum complex of terminally ligated carbon monofluoride (fluoromethylidyne).
• Authors of publication: Huang, Hui; Hughes, Russell P; Landis, Clark R; Rheingold, Arnold L
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7454 - 7455
• a: 6.9746 ± 0.0011 Å
• b: 12.471 ± 0.002 Å
• c: 7.7054 ± 0.0012 Å
• α: 90°
• β: 102.12 ± 0.002°
• γ: 90°
• Cell volume: 655.29 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.458
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No