Information card for entry 7228578

Structure parameters

• Formula: C19 H15 Cu0.5 N2 O7
• Calculated formula: C19 H15 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: 21.289 ± 0.003 Å
• b: 10.6498 ± 0.0016 Å
• c: 15.634 ± 0.002 Å
• α: 90°
• β: 105.939 ± 0.002°
• γ: 90°
• Cell volume: 3408.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No