Information card for entry 1512478

Structure parameters

• Formula: C24 H36 Cl N4 Na Ni2 O8
• Calculated formula: C24 H36 Cl N4 Na Ni2 O8
• SMILES: [Ni]123OC(=CC(=[N]2CC[N]3=C(C)C=C(O1)C)C)C.[Ni]123OC(=CC(=[N]2CC[N]3=C(C)C=C(O1)C)C)C.Cl(=O)(=O)(=O)[O-].[Na+]
• 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: 7.6414 ± 0.0012 Å
• b: 19.87 ± 0.003 Å
• c: 21.191 ± 0.003 Å
• α: 90°
• β: 111.137 ± 0.004°
• γ: 90°
• Cell volume: 3001.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No