Information card for entry 4103739

Structure parameters

• Formula: C32 H40 N4 O12 Si
• Calculated formula: C32 H40 N4 O12 Si0.25
• Title of publication: Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals
• Authors of publication: Okba Saied; Thierry Maris; James D. Wuest
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14956 - 14957
• a: 15.6466 ± 0.0002 Å
• b: 15.6466 ± 0.0002 Å
• c: 7.6593 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875.12 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No