Information card for entry 4115404

Structure parameters

• Formula: C48 H66 Li2 N2 O8 P2
• Calculated formula: C48 H66 Li2 N2 O8 P2
• Title of publication: [Li{CH(Me)P(Ph)2(NCO2Me)}2(THF)2]: Crystal, Solution, and Calculated Structure of aN-Delocalized Lithium Phosphazene
• Authors of publication: Ignacio Fernández; Julia María Álvarez Gutíerrez; Nikolaus Kocher; Dirk Leusser; Dietmar Stalke; Javier González; Fernando López Ortiz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 15184 - 15185
• a: 13.435 ± 0.003 Å
• b: 16.162 ± 0.003 Å
• c: 10.858 ± 0.002 Å
• α: 90°
• β: 100.46 ± 0.003°
• γ: 90°
• Cell volume: 2318.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No