Information card for entry 7108574

Structure parameters

• Common name: Amino-CuBTC
• Formula: C18 H7.96 Cu3 N2 O15
• Calculated formula: C18 H7.98 Cu3 N1.98 O15
• Title of publication: Amino substituted Cu3(btc)2: a new metal-organic framework with a versatile functionality
• Authors of publication: Katharina Peikert; Frank Hoffmann; Michael Froba
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11196
• a: 26.3336 ± 0.0002 Å
• b: 26.3336 ± 0.0002 Å
• c: 26.3336 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18261.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2979
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 2.407
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No