Information card for entry 1519633

Structure parameters

• Formula: C15 H7 F5 Mo O3
• Calculated formula: C15 H7 F5 Mo O3
• SMILES: [Mo]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(Cc1c(F)c(F)c(F)c(F)c1F)(C#[O])(C#[O])C#[O]
• Title of publication: Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts
• Authors of publication: Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 4772
• a: 8.1106 ± 0.0002 Å
• b: 14.7261 ± 0.0004 Å
• c: 12.4891 ± 0.0003 Å
• α: 90°
• β: 100.409 ± 0.001°
• γ: 90°
• Cell volume: 1467.12 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No