Information card for entry 2311450

Structure parameters

• Chemical name: Dichlorido[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]copper(II) monohydrate
• Formula: C10 H17 Cl2 Cu N3 O
• Calculated formula: C10 H17 Cl2 Cu N3 O
• SMILES: [Cu]12(Cl)(Cl)[N](CC[N]1=Cc1[n]2cccc1)(C)C.O
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu^II compounds.
• Authors of publication: Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1563 - 1567
• a: 6.9667 ± 0.0005 Å
• b: 24.735 ± 0.002 Å
• c: 7.9294 ± 0.0006 Å
• α: 90°
• β: 103.693 ± 0.004°
• γ: 90°
• Cell volume: 1327.57 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0418
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No