Information card for entry 4335627

Structure parameters

• Formula: C36 H54 Mo2 O2 P4
• Calculated formula: C36 H54 Mo2 O2 P4
• SMILES: [Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11(P1P7[P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]8[cH]%11[cH]%10[cH]91)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]31
• 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: 11.4768 ± 0.0002 Å
• b: 19.5895 ± 0.0003 Å
• c: 16.1293 ± 0.0002 Å
• α: 90°
• β: 98.104 ± 0.001°
• γ: 90°
• Cell volume: 3590.05 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No