Information card for entry 7216398

Structure parameters

• Formula: C19 H19 Cl3 Cu N2 O4
• Calculated formula: C19 H19 Cl3 Cu N2 O4
• SMILES: [Cu]123OC(=C(C=[N]3c3c([N]2=CC(=C(O1)C)C(=O)C)cccc3)C(=O)C)C.C(Cl)(Cl)Cl
• Title of publication: Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes
• Authors of publication: Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 27.317 ± 0.003 Å
• b: 22.2583 ± 0.0014 Å
• c: 6.9575 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4230.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No