Information card for entry 4319020

Structure parameters

• Common name: PhetPhosNi
• Formula: C26 H60 Cl2 N4 Ni O P2 Si2
• Calculated formula: C26 H60 Cl2 N4 Ni O P2 Si2
• SMILES: [Ni]1(Cl)(Cl)[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.O1CCCC1
• 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: 13.3924 ± 0.0015 Å
• b: 15.5672 ± 0.0018 Å
• c: 19.414 ± 0.002 Å
• α: 72.68 ± 0.002°
• β: 75.18 ± 0.002°
• γ: 82.222 ± 0.002°
• Cell volume: 3727.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No