Information card for entry 4077275

Structure parameters

• Formula: C26 H23 Cl2 Mo P
• Calculated formula: C26 H23 Cl2 Mo P
• SMILES: [Mo]1234567(Cl)(Cl)([P](c8ccccc8[CH]5=[CH]6C7)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 7.736 ± 0.0015 Å
• b: 15.106 ± 0.003 Å
• c: 18.726 ± 0.004 Å
• α: 90°
• β: 94.05 ± 0.03°
• γ: 90°
• Cell volume: 2182.9 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No