Information card for entry 2224826

Structure parameters

• Chemical name: Aqua[4-chloro-2-(2-pyridylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate
• Formula: C13 H14 Cl Cu N3 O6
• Calculated formula: C13 H14 Cl Cu N3 O6
• SMILES: [Cu]12(Oc3c(C=[N]1Cc1[n]2cccc1)cc(Cl)cc3)[OH2].N(=O)(=O)[O-].O
• Title of publication: Aqua[4-chloro-2-(2-pyridylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate
• Authors of publication: Liang, Qing; Chen, Xiaodan; Zhang, Huaihong; Zou, Zhihong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m40
• a: 7.892 ± 0.002 Å
• b: 8.9741 ± 0.0012 Å
• c: 11.8929 ± 0.0015 Å
• α: 106.841 ± 0.002°
• β: 102.198 ± 0.001°
• γ: 92.897 ± 0.001°
• Cell volume: 782.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes