Information card for entry 2213345

Structure parameters

• Chemical name: Bis(4-carboxamidopyridinium) diaquadioxalatocopper(II)
• Formula: C16 H18 Cu N4 O12
• Calculated formula: C16 H18 Cu N4 O12
• SMILES: C1(=O)C(=O)O[Cu]2(O1)([OH2])(OC(=O)C(=O)O2)[OH2].c1c(C(=O)N)cc[nH+]c1.c1cc(cc[nH+]1)C(=O)N
• Title of publication: Bis(4-carboxamidopyridinium) diaquadioxalatocuprate(II)
• Authors of publication: Chuan-Bi Li; Ying-Chun Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1337 - m1338
• a: 6.788 ± 0.002 Å
• b: 6.957 ± 0.002 Å
• c: 10.849 ± 0.003 Å
• α: 76.127 ± 0.002°
• β: 75.198 ± 0.002°
• γ: 79.483 ± 0.003°
• Cell volume: 476.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No