Information card for entry 2200565

Structure parameters

• Formula: C13 H11 Cl Cu N2 O4
• Calculated formula: C13 H11 Cl Cu N2 O4
• SMILES: [Cu]12(Cl)(OC(=O)c3[n]1cccc3)[O]=C(OC)c1[n]2cccc1
• Title of publication: Copper(II)-induced methanolysis of a stable enediol: isolation and crystallographic characterization of chloro(methylpicolinato-<i>N</i>,<i>O</i>)(picolinato-<i>N</i>,<i>O</i>)copper(II)
• Authors of publication: Bhar, Mallika; Chaudhury, Muktimoy; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m305 - m307
• a: 10.415 ± 0.002 Å
• b: 9.466 ± 0.002 Å
• c: 14.357 ± 0.006 Å
• α: 90°
• β: 105.88 ± 0.02°
• γ: 90°
• Cell volume: 1361.4 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes