Information card for entry 4503422

Structure parameters

• Formula: C15 H14 Cu N2 O6
• Calculated formula: C15 H14 Cu N2 O6
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]2c5c34)(OC(=O)CC(=O)O1)[OH2].O
• Title of publication: Supramolecular Networks in Copper(II) Malonate Complexes
• Authors of publication: Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3219
• a: 8.0697 ± 0.0005 Å
• b: 11.0207 ± 0.0006 Å
• c: 17.6506 ± 0.0008 Å
• α: 88.248 ± 0.004°
• β: 79.767 ± 0.004°
• γ: 75.981 ± 0.006°
• Cell volume: 1498.63 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No