Information card for entry 1512477

Structure parameters

• Formula: C12 H18 N3 Na Ni O5
• Calculated formula: C12 H18 N3 Na Ni O5
• SMILES: CC(O[Ni]234)=CC(C)=[N]2CC[N]3=C(C)C=C(C)O4.[Na+].[O-]N(=O)=O
• Title of publication: Efficient synthesis and characterization of the low dimensional heteronuclear complexes with a N2O2-donor Schiff base ligand
• Authors of publication: Guo-Bi Li; Xu-Jia Hong; Zhi-Gang Gu; Zhi-Peng Zheng; Yang-Yang Wu; Hong-Yang Jia; Jie Liu; Yue-Peng Cai
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 177 - 183
• a: 8.5941 ± 0.0007 Å
• b: 18.1783 ± 0.0014 Å
• c: 20.8102 ± 0.0014 Å
• α: 84.074 ± 0.005°
• β: 88.665 ± 0.005°
• γ: 76.688 ± 0.006°
• Cell volume: 3146.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1791
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No