Information card for entry 2200101

Structure parameters

• Chemical name: Bis(triethanolamine-N,O,O')nickel(II) bis(saccharinate)
• Formula: C26 H38 N4 Ni O12 S2
• Calculated formula: C26 H38 N4 Ni O12 S2
• SMILES: C1(=O)c2ccccc2S(=O)([O-])=N1.[OH]1[Ni]234([N](CC1)(CC[OH]3)CCO)[N](CC[OH]2)(CC[OH]4)CCO.C1(=O)c2ccccc2S(=O)([O-])=N1
• Title of publication: Bis(triethanolamine-<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) bis(saccharinate)
• Authors of publication: Topcu, Yildiray; Andac, Omer; Yilmaz, Veysel T.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: m82 - m84
• a: 7.3714 ± 0.0004 Å
• b: 12.9097 ± 0.0008 Å
• c: 15.7403 ± 0.0009 Å
• α: 90°
• β: 97.732 ± 0.001°
• γ: 90°
• Cell volume: 1484.27 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No