Information card for entry 4101514

Structure parameters

• Formula: C19 H15 Co2 F Mo O8
• Calculated formula: C19 H15 Co2 F Mo O8
• SMILES: [Mo]123456([Co]7([Co]1(C#[O])(C#[O])(C#[O])C27F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 8.84 ± 0.0014 Å
• b: 11.1894 ± 0.0017 Å
• c: 22.168 ± 0.003 Å
• α: 90°
• β: 93.529 ± 0.003°
• γ: 90°
• Cell volume: 2188.6 ± 0.6 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No