Information card for entry 2222420

Structure parameters

• Chemical name: Bis(triethanolamine)nickel(II) sulfate
• Formula: C12 H30 N2 Ni O10 S
• Calculated formula: C12 H30 N2 Ni O10 S
• SMILES: O=S(=O)([O-])[O-].[Ni]1234([N](CC[OH]1)(CC[OH]3)CCO)[N](CC[OH]2)(CC[OH]4)CCO
• Title of publication: Bis(triethanolamine)nickel(II) sulfate
• Authors of publication: Guo, Hong-Xu; Du, Zi-Xian; Li, Xi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m810 - m811
• a: 10.316 ± 0.002 Å
• b: 11.234 ± 0.002 Å
• c: 15.498 ± 0.003 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 1796.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0847
• 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