Information card for entry 2201108

Structure parameters

• Chemical name: tetracarbonyltungsten(0)-bis(μ-dimethylphosphido-dicyclopentadienyl hydridomolybdenum(IV))
• Formula: C28 H34 Mo2 O4 P2 W
• Calculated formula: C28 H34 Mo2 O4 P2 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])([P](C)(C)[MoH]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23)[P](C)(C)[MoH]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23
• Title of publication: Tetracarbonyltungsten(0)-bis(μ-dimethylphosphido)-bis[dicyclopentadienylhydridomolybdenum(IV)]
• Authors of publication: Kubicki, Marek M.; Barré, Christophe; Moïse, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m152 - m153
• a: 15.342 ± 0.005 Å
• b: 17.087 ± 0.002 Å
• c: 11.274 ± 0.002 Å
• α: 90°
• β: 100.4 ± 0.02°
• γ: 90°
• Cell volume: 2906.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1518
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections: 0.995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes