Information card for entry 4503418

Structure parameters

• Formula: C14 H18 Cu N2 O9
• Calculated formula: C14 H18 Cu N2 O9
• SMILES: [Cu]12(OC(=O)CC(=O)O1)([n]1ccccc1C(c1[n]2cccc1)(O)O)[OH2].O.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: 7.9884 ± 0.0008 Å
• b: 9.9682 ± 0.001 Å
• c: 10.9136 ± 0.0011 Å
• α: 85.141 ± 0.002°
• β: 76.697 ± 0.002°
• γ: 75.294 ± 0.002°
• Cell volume: 817.71 ± 0.14 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: 0.0434
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No