Information card for entry 8100383

Structure parameters

• Formula: C12 H15 Cu N O6
• Calculated formula: C12 H15 Cu N O6
• SMILES: c12ccc3cccc4c3[n]2[Cu](O4)(OC(=O)CC1)([OH2])[OH2].O
• Title of publication: Crystal structure of diaqua-(2-carboxyethylene-8-hydroxyquinolinato)- copper(II) monohydrate, Cu(C~12~H~9~O~3~N)(H~2~O)~2~ · H~2~O
• Authors of publication: Tanaka, Jun-Ichi; Itoh, Kuniaki; Setsune, Jun-Ichiro
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 3
• Pages of publication: 333 - 334
• a: 7.3627 ± 0.0016 Å
• b: 8.985 ± 0.002 Å
• c: 10.349 ± 0.002 Å
• α: 97.438 ± 0.004°
• β: 100.846 ± 0.004°
• γ: 106.334 ± 0.004°
• Cell volume: 633.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0726
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No