Information card for entry 7203377

Structure parameters

• Formula: C6 H8 Cu Na2 O10
• Calculated formula: C6 H8 Cu Na2 O10
• SMILES: C1(=O)O[Cu]2(OC(=O)CC(=O)O2)OC(=O)C1.[Na+].O.[Na+].O
• Title of publication: Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion
• Authors of publication: Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 507
• a: 6.827 ± 0.001 Å
• b: 9.517 ± 0.002 Å
• c: 16.406 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1065.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No