Information card for entry 4065770

Structure parameters

• Formula: C15 H15 F5 Mo O3
• Calculated formula: C15 H15 F5 Mo O3
• SMILES: [Mo]1234(C#[O])(C#[O])([c]5(C)[c]1(C)[c]2(C)[c]4([c]35C)C)(C#[O])C(F)(F)C(F)(F)F
• Title of publication: Synthesis and Structural Characterization of New Perfluoroacyl and Perfluoroalkyl Group 6 Transition Metal Compounds
• Authors of publication: Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1948
• a: 14.6162 ± 0.0008 Å
• b: 8.4293 ± 0.0005 Å
• c: 15.0114 ± 0.0008 Å
• α: 90°
• β: 118.161 ± 0.001°
• γ: 90°
• Cell volume: 1630.54 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0202
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4065766
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No