Information card for entry 1512476

Structure parameters

• Formula: C12 H19 N2 Ni O2.5
• Calculated formula: C12 H19 N2 Ni O2.5
• SMILES: [Ni]123OC(=CC(=[N]2CC[N]3=C(C)C=C(O1)C)C)C.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: 22.3332 ± 0.0009 Å
• b: 8.4153 ± 0.0003 Å
• c: 18.0526 ± 0.0011 Å
• α: 90°
• β: 127.582 ± 0.002°
• γ: 90°
• Cell volume: 2688.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No