Information card for entry 2243245

Structure parameters

• Chemical name: Aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
• Formula: C12 H14 Cl2 Cu N2 O2
• Calculated formula: C12 H14 Cl2 Cu N2 O2
• SMILES: c12cccc[n]2[Cu]([N](=C1)c1ccccc1)(Cl)(Cl)[OH2].O
• Title of publication: Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{<i>N</i>-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
• Authors of publication: Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio F.; Nossa González, Diana L.; Loaiza, Alix E.; Echeverría, Gustavo A.; Piro, Oscar E.; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 148 - 154
• a: 9.3322 ± 0.0002 Å
• b: 7.7341 ± 0.0002 Å
• c: 20.1143 ± 0.0004 Å
• α: 90°
• β: 90.002 ± 0.002°
• γ: 90°
• Cell volume: 1451.77 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No