Information card for entry 7203407

Structure parameters

• Formula: C9 H16 Cu N2 O8
• Calculated formula: C9 H16 Cu N2 O8
• SMILES: C1(=O)CC(=O)O[Cu]2(O1)OC(=O)CC(=O)O2.C(CC[NH3+])[NH3+]
• 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: 8.268 ± 0.0004 Å
• b: 16.9351 ± 0.0009 Å
• c: 9.4736 ± 0.0005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.004°
• γ: 90 ± 0.004°
• Cell volume: 1326.49 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No