Information card for entry 7110910

Structure parameters

• Formula: C20 H36 Ge I2 P6
• Calculated formula: C20 H36 Ge I2 P6
• SMILES: [Ge]1(I)(I)P2P3[C@]4(P1P1[C@@]2(P2C3(P4C12C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ge]1(I)(I)P2P3[C@@]4(P1P1[C@]2(P2C3(P4C12C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, crystal and molecular structures of the novel, structurally different, cage compounds P6C4But4SiI2 and P6C4But4GeI2, resulting from intra-molecular coupling of two 1,2,4-triphospholyl rings
• Authors of publication: Avent, Anthony G.; Cloke, F. Geoffrey N.; Francis, Matthew D.; Hitchcock, Peter B.; Nixon, John F.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 879
• a: 11.8196 ± 0.0012 Å
• b: 17.491 ± 0.003 Å
• c: 13.85 ± 0.003 Å
• α: 90 ± 0.014°
• β: 95.009 ± 0.014°
• γ: 90 ± 0.011°
• Cell volume: 2852.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No