Information card for entry 4316292

Structure parameters

• Formula: C26 H36 N6 Ni2 O4 S2 Zn
• Calculated formula: C26 H36 N6 Ni2 O4 S2 Zn
• SMILES: [Ni]123[N]4=C(C=C(C)[O]3[Zn]3(N=C=S)(N=C=S)([O]2C(C)=CC(C)=[N]1CC4)[O]1[Ni]24[N](CC[N]2=C(C)C=C1C)=C(C=C(C)[O]34)C)C
• Title of publication: Construction of a Novel Zn-Ni Trinuclear Schiff Base and a Ni2+ Chemosensor
• Authors of publication: Guo-Bi Li; Hua-Cai Fang; Yue-Peng Cai; Zheng-Yuan Zhou; Praveen K. Thallapally; Jian Tian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7241 - 7243
• a: 17.594 ± 0.006 Å
• b: 20.878 ± 0.007 Å
• c: 18.011 ± 0.007 Å
• α: 90°
• β: 104.07 ± 0.006°
• γ: 90°
• Cell volume: 6417 ± 4 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: 0.2183
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No