Information card for entry 2207695

Structure parameters

• Chemical name: Bis{[2-hydroxy-κO-1,1-bis(hydroxymethyl)ethylamino-κN]acetato-κO}copper(II)
• Formula: C12 H24 Cu N2 O10
• Calculated formula: C12 H24 Cu N2 O10
• SMILES: [Cu]1234([NH](CC(=O)O1)C(C[OH]2)(CO)CO)[NH](CC(=O)O3)C(C[OH]4)(CO)CO
• Title of publication: Bis{[2-hydroxy-κ<i>O</i>-1,1-bis(hydroxymethyl)ethylamino-κ<i>N</i>]acetato-κ<i>O</i>}copper(II)
• Authors of publication: Gao, En-Jun; Ding, Li-Na; Chen, Mao-Sheng; Sun, Ya-Guang; He, Ling-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2720 - m2721
• a: 14.343 ± 0.002 Å
• b: 9.1271 ± 0.0017 Å
• c: 12.2913 ± 0.0018 Å
• α: 90°
• β: 99.46 ± 0.006°
• γ: 90°
• Cell volume: 1587.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes