Information card for entry 4063238

Structure parameters

• Formula: C32 H40 Mn Mo2 O4 P
• Calculated formula: C32 H40 Mn Mo2 O4 P
• SMILES: C([Mo]123456([Mo]789%10(C#[O])([H]1[Mn]%13%14%11%12(C#[O])(C#[O])[c]1([cH]%11[cH]%12[cH]%14[cH]%131)C)([P]2(C1CCCCC1)C1CCCCC1)[cH]1[cH]8[cH]9[cH]%10[cH]17)[cH]1[cH]3[cH]4[cH]5[cH]61)#[O]
• 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: 9.9059 ± 0.0018 Å
• b: 22.193 ± 0.004 Å
• c: 13.832 ± 0.002 Å
• α: 90°
• β: 100.521 ± 0.003°
• γ: 90°
• Cell volume: 2989.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No