Information card for entry 7106230

Structure parameters

• Formula: C91 H130 Cu4 N10 O40
• Calculated formula: C57 H28 Cu4 O20
• Title of publication: High capacity gas storage by a 4,8-connected metal - organic polyhedral framework
• Authors of publication: Chenrong Tan; Sihai Yang; Neil R. Champness; Xiang Lin; Alexander Blake; William Lewis; Martin Schroder
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4487
• a: 18.9 ± 0.003 Å
• b: 18.9 ± 0.003 Å
• c: 33.561 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11988 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No