Information card for entry 4077272

Structure parameters

• Formula: C28 H26 Cl3 Mo O P
• Calculated formula: C28 H26 Cl3 Mo O P
• SMILES: [Mo]123456(Cl)([P](c7ccccc7)(c7ccccc7)c7ccccc7[CH]5=[CH]6C)(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15.C(Cl)Cl
• 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: 12.672 ± 0.003 Å
• b: 16.392 ± 0.003 Å
• c: 12.885 ± 0.003 Å
• α: 90°
• β: 106.81 ± 0.03°
• γ: 90°
• Cell volume: 2562.1 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No