Information card for entry 2211955

Structure parameters

• Chemical name: Bis[ethyl 2-cyano-2-(oxidoimino)acetate]bis(ethylenediamine)nickel(II) hexahydrate
• Formula: C14 H38 N8 Ni O12
• Calculated formula: C14 H38 N8 Ni O12
• SMILES: C1[NH2][Ni]2([NH2]CC[NH2]2)([N]#CC(=N\[O-])/C(=O)OCC)([NH2]C1)[N]#C/C(=N\[O-])C(=O)OCC.O.O.O.O.O.O
• Title of publication: Bis[ethyl 2-cyano-2-(oxidoimino)acetate]bis(ethylenediamine)nickel(II) hexahydrate
• Authors of publication: Mikhail P. Azarkh; Nikolay M. Dudarenko; Igor O. Fritsky; Turganbay S. Iskenderov; Jolanta Świątek-Kozłowska
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m9 - m11
• a: 6.69 ± 0.001 Å
• b: 8.833 ± 0.002 Å
• c: 11.044 ± 0.002 Å
• α: 83.11 ± 0.03°
• β: 81.19 ± 0.03°
• γ: 75.69 ± 0.03°
• Cell volume: 622.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes