Information card for entry 2006548

Structure parameters

• Common name: [Cu{Ni(CN)~4~}(dien)(mea)].2H~2~O
• Chemical name: Tetracyanonickelato(II){N-(2-aminoethyl)-1,2-ethanediamine}(2-aminoeth anol)copper(II)-water(1/2)
• Formula: C10 H24 Cu N8 Ni O3
• Calculated formula: C10 H24 Cu N8 Ni O3
• SMILES: [Cu]123([N]#C[Ni](C#N)(C#N)C#N)([NH2]CC[NH]1CC[NH2]2)[NH2]CC[OH]3.O.O
• Title of publication: Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[<i>N</i>-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)‒Water (1/2)
• Authors of publication: Kurihara, Hiroyuki; Nishikiori, Shin-ichi; Iwamoto, Toschitake
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1409 - 1411
• a: 11.097 ± 0.005 Å
• b: 9.869 ± 0.005 Å
• c: 17.325 ± 0.004 Å
• α: 90°
• β: 104.9 ± 0.02°
• γ: 90°
• Cell volume: 1833.6 ± 1.3 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 significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1087
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No