Information card for entry 2213580

Structure parameters

• Chemical name: Bis(2-aminopyridinium) diaquabis(malonato-κ^2^O,O')cuprate(II)
• Formula: C16 H22 Cu N4 O10
• Calculated formula: C16 H22 Cu N4 O10
• SMILES: C1(=O)CC(=O)O[Cu]2(O1)OC(=O)CC(=O)O2.c1([nH+]cccc1)N.O.c1(cccc[nH+]1)N.O
• Title of publication: Bis(2-aminopyridinium) diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')cuprate(II)
• Authors of publication: Choudhury, Somnath Ray; Bhattacharyya, Jhimli; Das, Suranjana; Dey, Biswajit; Mukhopadhyay, Subrata; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1331 - m1332
• a: 7.0433 ± 0.0013 Å
• b: 7.9116 ± 0.0015 Å
• c: 9.5767 ± 0.0018 Å
• α: 96.096 ± 0.002°
• β: 107.865 ± 0.002°
• γ: 103.743 ± 0.002°
• Cell volume: 484.03 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes