Information card for entry 7101515

Structure parameters

• Formula: C20 H30 Cl3 Ga P2
• Calculated formula: C20 H30 Cl3 Ga P2
• SMILES: [Ga](Cl)(Cl)(Cl)[P@@]12P3[C@]4([C@@]1(C(=C([C@]4([C@]1([C@@]2(C(=C([C@@]31C)C)C)C)C)C)C)C)C)C.[Ga](Cl)(Cl)(Cl)[P@]12P3[C@@]4([C@]1(C(=C([C@@]4([C@@]1([C@]2(C(=C([C@]31C)C)C)C)C)C)C)C)C)C
• 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: 12.861 ± 0.003 Å
• b: 10.475 ± 0.002 Å
• c: 17.101 ± 0.003 Å
• α: 90°
• β: 101.54 ± 0.03°
• γ: 90°
• Cell volume: 2257.2 ± 0.8 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0365
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No