Information card for entry 2214686

Structure parameters

• Chemical name: (4-Aminobenzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(di-2-pyridylamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrat
• Formula: C17 H17 Cl Cu N4 O3
• Calculated formula: C17 H17 Cl Cu N4 O3
• SMILES: [Cu]12(Cl)(OC(=[O]1)c1ccc(N)cc1)[n]1ccccc1Nc1[n]2cccc1.O
• Title of publication: (4-Aminobenzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate
• Authors of publication: Okabe, Nobuo; Tsuji, Akio; Yodoshi, Masahiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2108 - m2109
• a: 9.86 ± 0.01 Å
• b: 12.1 ± 0.01 Å
• c: 14.6 ± 0.01 Å
• α: 90°
• β: 100.63 ± 0.03°
• γ: 90°
• Cell volume: 1712 ± 3 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No