Information card for entry 4063237

Structure parameters

• Formula: C29 H33 Mo2 O7 P W
• Calculated formula: C29 H33 Mo2 O7 P W
• SMILES: [Mo]123456([Mo]789%10([P]1(C1CCCCC1)C1CCCCC1)(C#[O])([cH]1[cH]7[cH]8[cH]9[cH]%101)[H]6[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Reactivity of the Unsaturated Hydride [Mo2(5η-C5H5)2(μ-H)(μ-PCy2)(CO)2] toward 17- and 16-Electron Metal Carbonyl Fragments: Rational Synthesis of Electron-Deficient Heterometallic Clusters
• Authors of publication: Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Alberto Ramos; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 321 - 331
• a: 12.047 ± 0.002 Å
• b: 15.28 ± 0.003 Å
• c: 16.888 ± 0.003 Å
• α: 90°
• β: 101.172 ± 0.003°
• γ: 90°
• Cell volume: 3049.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No