Information card for entry 7110994

Structure parameters

• Formula: C24 H50 Li2 N3 O1.5 P3
• Calculated formula: C24 H46 Li2 N3 O1.5 P3
• Title of publication: Synthesis and structure of [(ButN)P(μ-NBut)2P(PCy)Li2·thf]2; an unusual cage compound containing an amido/phosphido functionalised [(ButN)P(μ-NBut)2P(PCy)]2− dianion (Cy = C6H11)
• Authors of publication: Bashall, Alan; McPartlin, Mary; Elvidge, Benjamin R.; Beswick, Michael A.; Kidd, Sara J.; Wright, Dominic S.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1439
• a: 10.679 ± 0.002 Å
• b: 21.224 ± 0.008 Å
• c: 13.847 ± 0.003 Å
• α: 90°
• β: 95.46 ± 0.02°
• γ: 90°
• Cell volume: 3124.2 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1543
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No