Information card for entry 4114301

Structure parameters

• Formula: C30 H39 Mo2 O2 P
• Calculated formula: C30 H39 Mo2 O2 P
• SMILES: [Mo]123456789%10(P([Mo]%11%12%13%14([cH]%15[cH]%14[cH]%13[cH]%12[cH]%11%15)(C#[O])C#[O])[c]%111[c]2([cH]3[c]4([cH]5[c]6%11C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101
• Title of publication: Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand
• Authors of publication: M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13044 - 13045
• a: 9.952 ± 0.002 Å
• b: 19.642 ± 0.004 Å
• c: 14.316 ± 0.003 Å
• α: 90°
• β: 90.39 ± 0.03°
• γ: 90°
• Cell volume: 2798.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0216
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No