Information card for entry 7105516

Structure parameters

• Formula: C44 H49 Cl12 N7 O9 Si3
• Calculated formula: C44 H49 Cl12 N7 O9 Si3
• Title of publication: Four independent structures of a pentacoordinate silicon species at different points on the Berry pseudorotation pathway
• Authors of publication: Bassindale, Alan R.; Sohail, M.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 3274 - 3276
• a: 13.549 ± 0.005 Å
• b: 15.753 ± 0.006 Å
• c: 16.005 ± 0.007 Å
• α: 67.998 ± 0.008°
• β: 74.146 ± 0.009°
• γ: 66.783 ± 0.007°
• Cell volume: 2879 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No