Information card for entry 7110909

Structure parameters

• Common name: [P6(CtBu)4SiI2]
• Formula: C20 H36 I2 P6 Si
• Calculated formula: C20 H36 I2 P6 Si
• SMILES: I[Si]1(I)[C@@]2(C(C)(C)C)P3P4P5P2P([C@]13C(C)(C)C)[C@@]5(P=C4C(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: 11.827 ± 0.004 Å
• b: 15.837 ± 0.009 Å
• c: 15.626 ± 0.005 Å
• α: 90°
• β: 94.87 ± 0.03°
• γ: 90°
• Cell volume: 2916 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No