Information card for entry 2200961

Structure parameters

• Formula: C7 H9 Cu N O7
• Calculated formula: C7 H9 Cu N O7
• SMILES: [Cu]12([OH2])([OH2])([OH2])[n]3c(cccc3C(=O)O2)C(=O)O1
• Title of publication: Triaqua(2,6-pyridinedicarboxylato)copper(II) at 150K
• Authors of publication: Blake, Alexander J.; Felloni, Marina; Hubberstey, Peter; Schröder, Martin; Wilson, Claire
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m43 - m46
• a: 6.4111 ± 0.0009 Å
• b: 23.169 ± 0.003 Å
• c: 6.8348 ± 0.0009 Å
• α: 90°
• β: 106.377 ± 0.002°
• γ: 90°
• Cell volume: 974 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes