Information card for entry 4314248

Structure parameters

• Formula: C18 H24 Cu N2 O12
• Calculated formula: C18 H24 Cu N2 O12
• SMILES: C1(=O)CC(=O)O[Cu]2(O1)OC(=O)CC(=O)O2.[nH+]1ccc(cc1)/C=C/c1cc[nH+]cc1.O.O.O.O
• Title of publication: Design of High-Dimensional Copper(II) Malonate Complexes with Exo-Polydentate N-Donor Ligands
• Authors of publication: Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5938 - 5948
• a: 4.8831 ± 0.001 Å
• b: 9.5852 ± 0.0019 Å
• c: 11.813 ± 0.002 Å
• α: 77.29 ± 0.03°
• β: 82.18 ± 0.03°
• γ: 84.92 ± 0.03°
• Cell volume: 533.37 ± 0.19 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: 0.0293
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No