Information card for entry 4319021

Structure parameters

• Common name: PhetPhosMo
• Formula: C26 H52 Mo N4 O4 P2 Si2
• Calculated formula: C26 H52 Mo N4 O4 P2 Si2
• SMILES: [Mo]1([P]2(N([Si](N2C(C)(C)C)(C)C)C(C)(C)C)CC[P]21N([Si](N2C(C)(C)C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Inorganic Heterocyclic Bis(phosphines): Syntheses and Structures of a 1,2-Bis(diazasilaphosphetidino)ethane and Its Nickel, Molybdenum, and Rhodium Complexes
• Authors of publication: Ingo Schranz; Graham R. Lief; Steven J. Midstokke; Lothar Stahl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6919 - 6927
• a: 8.88 ± 0.002 Å
• b: 23.187 ± 0.004 Å
• c: 18.009 ± 0.003 Å
• α: 90°
• β: 92.724 ± 0.014°
• γ: 90°
• Cell volume: 3703.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No