Information card for entry 2219175

Structure parameters

• Chemical name: Bis{(<i>E</i>)-2-Ethoxy-6-[2-(ethylammonio)ethyliminomethyl]phenolato}nickel(II) bis(perchlorate)
• Formula: C26 H40 Cl2 N4 Ni O12
• Calculated formula: C26 H40 Cl2 N4 Ni O12
• SMILES: c12O[Ni]3([N](=Cc2cccc1OCC)CC[NH2+]CC)[N](=Cc1c(c(ccc1)OCC)O3)CC[NH2+]CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Bis{(<i>E</i>)-2-ethoxy-6-[2-(ethylammonio)ethyliminomethyl]phenolato}nickel(II) bis(perchlorate)
• Authors of publication: Zhu, Xue-Wen; Yang, Xu-Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1096 - m1097
• a: 8.386 ± 0.003 Å
• b: 8.566 ± 0.003 Å
• c: 21.862 ± 0.006 Å
• α: 90°
• β: 99.068 ± 0.004°
• γ: 90°
• Cell volume: 1550.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes