Information card for entry 7104027

Structure parameters

• Formula: C23 H31 Br0.36 Cl0.64 P2
• Calculated formula: C23 H31 Br0.363 Cl0.637 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: 8.8412 ± 0.0006 Å
• b: 9.4818 ± 0.0006 Å
• c: 14.4128 ± 0.001 Å
• α: 109.001 ± 0.002°
• β: 92.033 ± 0.002°
• γ: 98.202 ± 0.002°
• Cell volume: 1126.37 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No