Information card for entry 2211558

Structure parameters

• Chemical name: Bis(dimethylammonium) bis(pyridine-2,5-dicarboxylato)copper(II)
• Formula: C18 H22 Cu N4 O8
• Calculated formula: C18 H22 Cu N4 O8
• SMILES: C[NH2+]C.[Cu]12([n]3c(C(=O)O1)ccc(c3)C(=O)[O-])[n]1c(C(=O)O2)ccc(c1)C(=O)[O-].C[NH2+]C
• Title of publication: Bis(dimethylammonium) bis(pyridine-2,5-dicarboxylato)copper(II)
• Authors of publication: Ji-Lin Lu; Da-Shun Zhang; Lin Li; Bei-Ping Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3321 - m3322
• a: 5.2516 ± 0.0013 Å
• b: 8.216 ± 0.002 Å
• c: 12.29 ± 0.003 Å
• α: 103.232 ± 0.004°
• β: 92.484 ± 0.004°
• γ: 108.439 ± 0.004°
• Cell volume: 485.8 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes