Information card for entry 4077274

Structure parameters

• Formula: C27 H23 Mo O P
• Calculated formula: C27 H23 Mo O P
• SMILES: [Mo]1234567([P](c8ccccc8)(c8ccccc8)c8ccccc8[CH]5=[CH]6C7)([cH]5[cH]1[cH]2[cH]3[cH]45)C#[O]
• Title of publication: Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered Homoallylic Phosphines†
• Authors of publication: Rodrigues, Cristina Wippert; Antelmann, Björn; Limberg, Christian; Kaifer, Elisabeth; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1825
• a: 15.173 ± 0.003 Å
• b: 15.674 ± 0.003 Å
• c: 18.031 ± 0.004 Å
• α: 90°
• β: 100.34 ± 0.03°
• γ: 90°
• Cell volume: 4218.5 ± 1.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1404
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No