Information card for entry 2240597

Structure parameters

• Chemical name: Dichloridobis(methyl isonicotinate-κ<i>N</i>)copper(II)
• Formula: C14 H14 Cl2 Cu N2 O4
• Calculated formula: C14 H14 Cl2 Cu N2 O4
• SMILES: c1cc(cc[n]1[Cu](Cl)([n]1ccc(cc1)C(=O)OC)Cl)C(=O)OC
• Title of publication: Crystal structure of dichloridobis(methyl isonicotinate-κ<i>N</i>)copper(II)
• Authors of publication: Ahadi, Elaheh; Hosseini-Monfared, Hassan; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m112 - m113
• a: 3.7792 ± 0.0004 Å
• b: 29.891 ± 0.004 Å
• c: 7.0139 ± 0.0008 Å
• α: 90°
• β: 94.036 ± 0.01°
• γ: 90°
• Cell volume: 790.35 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0456
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0914
• 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