Information card for entry 4103262

Structure parameters

• Formula: C70.5 H65.5 N12.5 O5.5
• Calculated formula: C60 H36 N10
• Title of publication: Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage
• Authors of publication: Wenbin Yang; Alex Greenaway; Xiang Lin; Ryotaro Matsuda; Alexander J. Blake; Claire Wilson; William Lewis; Peter Hubberstey; Susumu Kitagawa; Neil R. Champness; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14457 - 14469
• a: 14.319 ± 0.002 Å
• b: 6.8536 ± 0.0008 Å
• c: 32.694 ± 0.004 Å
• α: 90°
• β: 93.782 ± 0.002°
• γ: 90°
• Cell volume: 3201.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.152
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No