Information card for entry 4117562

Structure parameters

• Formula: C24 H20 Cu F6 N4 Si
• Calculated formula: C24 H20 Cu F6 N4 Si
• Title of publication: Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)
• Authors of publication: Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3663 - 3666
• a: 18.8471 ± 0.0011 Å
• b: 18.8471 ± 0.0011 Å
• c: 7.9975 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2840.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No