Information card for entry 2241853

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)glycinato]chloridocobalt(II)
• Formula: C6 H12 Cl Co N O4
• Calculated formula: C6 H12 Cl Co N O4
• SMILES: [Co]123(Cl)[OH]CC[N]3(CC[OH]1)CC(=O)O2
• Title of publication: Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the <i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycine anion
• Authors of publication: Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1463 - 1467
• a: 8.3925 ± 0.0009 Å
• b: 14.0939 ± 0.0015 Å
• c: 15.8448 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes