Information card for entry 2209044

Structure parameters

• Chemical name: Aqua(L-aspartato-κ^2^N,O)(2,2'-bipyridine-κ^2^N,N)copper(II) pentahydrate
• Formula: C14 H25 Cu N3 O10
• Calculated formula: C14 H25 Cu N3 O10
• SMILES: c1cccc2c3cccc[n]3[Cu]3([n]12)([NH2]C(C(=O)O3)CC(=O)[O-])[OH2].O.O.O.O.O
• Title of publication: Aqua(<small>L</small>-aspartato-κ^2^<i>N</i>,<i>O</i>)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>)copper(II) pentahydrate
• Authors of publication: Zhao, Hong-Jian; Li, Ming-Xing; Shao, Min; Liu, Hong-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m965 - m967
• a: 9.0194 ± 0.0003 Å
• b: 21.443 ± 0.0006 Å
• c: 10.0189 ± 0.0003 Å
• α: 90°
• β: 93.088 ± 0.001°
• γ: 90°
• Cell volume: 1934.87 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No