Information card for entry 2207822

Structure parameters

• Chemical name: Diammine(pyridine-2,6-dicarboxylate)copper(II)
• Formula: C7 H9 Cu N3 O4
• Calculated formula: C7 H9 Cu N3 O4
• SMILES: c12cccc3[n]2[Cu](OC3=O)(OC1=O)([NH3])[NH3]
• Title of publication: Diammine(pyridine-2,6-dicarboxylato)copper(II)
• Authors of publication: Xiang, Jing; Yin, Ye-Gao; Huang, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m4 - m6
• a: 4.8654 ± 0.0006 Å
• b: 9.1161 ± 0.0011 Å
• c: 10.0916 ± 0.0012 Å
• α: 76.927 ± 0.002°
• β: 86.987 ± 0.002°
• γ: 86.618 ± 0.002°
• Cell volume: 434.88 ± 0.09 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: 0.0392
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes