Information card for entry 2203208

Structure parameters

• Formula: C16 H30 N2 Ni O10
• Calculated formula: C16 H30 N2 Ni O10
• SMILES: C(C[N](CC[OH]1)(CC[OH]2)[Ni]1234[N](CC[OH]3)(CC[OH]4)CCO)O.C1(=O)C(=O)C([O-])=C1[O-]
• Title of publication: Bis(triethanolamine-κ^3^<i>N,O,O</i>')nickel(II) squarate
• Authors of publication: Yeşilel, Okan Zafer; Bulut, Ahmet; Uçar, İbrahim; İçbudak, Hasan; Ölmez, Halis; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m228 - m230
• a: 7.5058 ± 0.0007 Å
• b: 8.5766 ± 0.0008 Å
• c: 8.9156 ± 0.0008 Å
• α: 102.551 ± 0.007°
• β: 110.398 ± 0.007°
• γ: 99.698 ± 0.007°
• Cell volume: 506.04 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes