Information card for entry 4107326

Structure parameters

• Common name: PCN-14
• Formula: C270 H162 Cu18 O90
• Calculated formula: C270 H126 Cu18 O90
• Title of publication: Metal-Organic Framework from an Anthracene Derivative Containing Nanoscopic Cages Exhibiting High Methane Uptake
• Authors of publication: Shengqian Ma; Daofeng Sun; Jason M. Simmons; Christopher D. Collier; Daqiang Yuan; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1012 - 1016
• a: 18.453 ± 0.0004 Å
• b: 18.453 ± 0.0004 Å
• c: 76.976 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22699.7 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No