Information card for entry 7228583

Structure parameters

• Formula: C19 H17 Cu0.5 N2 O7
• Calculated formula: C19 H17 Cu0.5 N2 O7
• Title of publication: Cu(II) frameworks from a “mixed-ligand” approach
• Authors of publication: Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 13.744 ± 0.017 Å
• b: 7.959 ± 0.01 Å
• c: 16.19 ± 0.02 Å
• α: 90°
• β: 94.942 ± 0.015°
• γ: 90°
• Cell volume: 1764 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1002
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No