Information card for entry 2241248

Structure parameters

• Chemical name: Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycinato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]cobalt(II) monohydrate
• Formula: C12 H26 Co N2 O9
• Calculated formula: C12 H26 Co N2 O9
• SMILES: C1(=O)C[N]2(CC[OH][Co]342([N](CC(=O)O3)(CCO)CC[OH]4)O1)CCO.O
• Title of publication: Crystal structure of bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycinato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]cobalt(II) monohydrate
• Authors of publication: Liu, Yang; Zhou, Dan; Liu, Hai-Hui; He, Chen-Cong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: m199 - m200
• a: 19.274 ± 0.003 Å
• b: 12.0033 ± 0.0017 Å
• c: 7.196 ± 0.001 Å
• α: 90°
• β: 100.081 ± 0.002°
• γ: 90°
• Cell volume: 1639.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes