Information card for entry 7014611

Structure parameters

• Formula: C17 H33 F Mo O P2
• Calculated formula: C17 H33 F Mo O P2
• SMILES: [Mo]1234([P](C)(C)C)([P](C)(C)C)(F)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C#[O]
• Title of publication: Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.
• Authors of publication: Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 47 - 55
• a: 13.616 ± 0.002 Å
• b: 9.1616 ± 0.0015 Å
• c: 16.705 ± 0.003 Å
• α: 90°
• β: 94.271 ± 0.003°
• γ: 90°
• Cell volume: 2078.1 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No