Information card for entry 7104028

Structure parameters

• Formula: C35 H55 Li O3 P2
• Calculated formula: C35 H55 Li O3 P2
• Title of publication: The first structurally authenticated alkali metal 1,3-diphosphaallyl complex [{ButC(PMes)2}Li(thf)3] (Mes = 2,4,6-Me3C6H2): an alternative synthetic approach to substituted 1,3-diphosphaallyl complexes
• Authors of publication: Liddle, Stephen T.; Izod, Keith
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 772 - 773
• a: 11.3121 ± 0.0005 Å
• b: 16.3249 ± 0.0007 Å
• c: 19.3487 ± 0.0008 Å
• α: 90°
• β: 105.365 ± 0.002°
• γ: 90°
• Cell volume: 3445.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No