Information card for entry 7203406

Structure parameters

• Formula: C8 H20 Cu N2 O11
• Calculated formula: C8 H14 Cu N2 O11
• SMILES: [Cu]12(OC(=O)CC(=O)O1)(OC(=O)CC(=O)O2)([OH2])[OH2].[NH3+]CC[NH3+].O
• Title of publication: Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives
• 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: 530
• a: 11.67 ± 0.002 Å
• b: 8.408 ± 0.002 Å
• c: 15.323 ± 0.003 Å
• α: 90°
• β: 93.38 ± 0.03°
• γ: 90°
• Cell volume: 1500.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No