Information card for entry 7228579

Structure parameters

• Formula: C20 H14 Cu2 N2 O9
• Calculated formula: C20 H14 Cu2 N2 O9
• 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: 15.436 ± 0.002 Å
• b: 10.2155 ± 0.0017 Å
• c: 12.2521 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No