Information card for entry 2201033

Structure parameters

• Common name: [Ni(dien)(DL-his)]I.H2O
• Chemical name: (diethylenetriamine-N,N',N'')(DL-histinato-N,N',O)nickel(II) iodide monohydrate
• Formula: C10 H23 I N6 Ni O3
• Calculated formula: C10 H23 I N6 Ni O3
• SMILES: [I-].[Ni]1234([NH](CC[NH2]1)CC[NH2]2)[NH2]C(C(=O)O4)Cc1[n]3c[nH]c1.O
• Title of publication: (Diethylenetriamine-<i>N,N</i>',<i>N</i>'')(<small>DL</small>-histinato-<i>N,N</i>',<i>O</i>)nickel(II) iodide monohydrate
• Authors of publication: Wang, Li; Feng, Xiao-Long; Cai, Jiwen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m209 - m211
• a: 9.384 ± 0.005 Å
• b: 15.323 ± 0.007 Å
• c: 12.667 ± 0.006 Å
• α: 90°
• β: 108.758 ± 0.008°
• γ: 90°
• Cell volume: 1724.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes