Information card for entry 7101514

Structure parameters

• Common name: P2Chlorocage
• Formula: C20 H30 Cl5 In P2
• Calculated formula: C20 H30 Cl5 In P2
• SMILES: [In]([Cl-])(Cl)(Cl)Cl.P12[P@+]3([C@]4([C@@]1([C@@]([C@]1([C@@]2(C(=C(C)[C@@]31C)C)C)C)(C(=C4C)C)C)C)C)Cl
• Title of publication: The surprising and stereoselective formation of P2C10 cages by the reduction of Cp*PCl2
• Authors of publication: Oliver C. Presly; Michael Green; John C. Jeffery; Eva Leiner; Martin Murray; Christopher A. Russell; Manfred Scheer; Ulf Vogel
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 43
• a: 12.7865 ± 0.0012 Å
• b: 12.8135 ± 0.0017 Å
• c: 15.619 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No