Information card for entry 2015597

Structure parameters

• Chemical name: Bis(ethylenediaminium) bis[N,N-dihydroxyoxamidato(3-)]nickelate(II) dihydrate
• Formula: C8 H26 N8 Ni O10
• Calculated formula: C8 H26 N8 Ni O10
• SMILES: C([NH3+])C[NH3+].[Ni]12([N](=C([O-])C([O-])=N1=O)O)[N](=C([O-])C([O-])=N2=O)O.O.C(C[NH3+])[NH3+].O
• Title of publication: Bis(ethylenediaminium) bis[oxalohydroxamato(3‒)]nickelate(II) dihydrate
• Authors of publication: Yurii S. Moroz; Elźbieta Gumienna-Kontecka; Igor O. Fritsky; Nikolay M. Dudarenko; Jolanta Świątek-Kozłowska
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m498 - m500
• a: 5.961 ± 0.001 Å
• b: 17.604 ± 0.004 Å
• c: 8.917 ± 0.002 Å
• α: 90°
• β: 108.38 ± 0.03°
• γ: 90°
• Cell volume: 888 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes