Information card for entry 2235063

Structure parameters

• Chemical name: Aqua[6-carboxylato-<i>N</i>'-(pyridin-2-ylmethylidene)pyridine-2- carbohydrazidato]copper(II) trihydrate
• Formula: C13 H16 Cu N4 O7
• Calculated formula: C13 H16 Cu N4 O7
• SMILES: [Cu]123([n]4c(cccc4C(=O)O3)C(=O)N1N=Cc1[n]2cccc1)[OH2].O.O.O
• Title of publication: Aqua[6-carboxylato-<i>N</i>'-(pyridin-2-ylmethylidene)pyridine-2-carbohydrazidato]copper(II) trihydrate
• Authors of publication: Huang, Yu-Min; Wu, Wen-Shi; Wang, Xin-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m783
• a: 7.1646 ± 0.0016 Å
• b: 9.369 ± 0.002 Å
• c: 12.647 ± 0.003 Å
• α: 75.313 ± 0.004°
• β: 78.864 ± 0.004°
• γ: 74.155 ± 0.004°
• Cell volume: 783 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes