Information card for entry 4130840

Structure parameters

• Formula: C47.5 H75 N6 P3 Si3
• Calculated formula: C47.5 H75 N6 P3 Si3
• Title of publication: Pnictogen-Silicon Analogues of Benzene.
• Authors of publication: Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 33
• Pages of publication: 10433 - 10436
• a: 21.4117 ± 0.0005 Å
• b: 21.3974 ± 0.0004 Å
• c: 25.7847 ± 0.0007 Å
• α: 90°
• β: 114.123 ± 0.003°
• γ: 90°
• Cell volume: 10781.7 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No