Information card for entry 4335629

Structure parameters

• Formula: C56 H64 Mn2 Mo4 O12 P6
• Calculated formula: C56 H64 Mn2 Mo4 O12 P6
• SMILES: [Mn]1([P]23[P]4([Mn]([P]56[P]71[Mo]189%105([P](C5CCCCC5)(C5CCCCC5)[Mo]5%11%12%1367(C#[O])[cH]6[cH]%11[cH]%13[cH]%12[cH]56)(C#[O])[cH]5[cH]1[cH]%10[cH]9[cH]85)(C#[O])(C#[O])(C#[O])C#[O])[Mo]15672([P](C2CCCCC2)(C2CCCCC2)[Mo]289%1034(C#[O])[cH]3[cH]8[cH]%10[cH]9[cH]23)(C#[O])[cH]2[cH]5[cH]6[cH]7[cH]21)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles
• Authors of publication: M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9005 - 9018
• a: 19.11 ± 0.005 Å
• b: 18.373 ± 0.005 Å
• c: 21.129 ± 0.005 Å
• α: 90 ± 0.005°
• β: 114.284 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6762 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.3096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No