Information card for entry 2217671

Structure parameters

• Chemical name: Aqua(4-methylquinoline-κN)[<i>N</i>-(2-oxidobenzylidene)glycinato- κ^3^O,N,O']copper(II) hemihydrate
• Formula: C19 H19 Cu N2 O4.5
• Calculated formula: C19 H19 Cu N2 O4.5
• SMILES: [Cu]12(Oc3c(C=[N]2CC(=O)O1)cccc3)([OH2])[n]1ccc(c2c1cccc2)C.O
• Title of publication: Aqua(4-methylquinoline-κ<i>N</i>)[<i>N</i>-(2-oxidobenzylidene)glycinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II) hemihydrate
• Authors of publication: Trávníček, Zdeněk; Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m282 - m283
• a: 10.0966 ± 0.0007 Å
• b: 12.3483 ± 0.0006 Å
• c: 28.8133 ± 0.0017 Å
• α: 90°
• β: 97.73 ± 0.006°
• γ: 90°
• Cell volume: 3559.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes