Information card for entry 4316291

Structure parameters

• Formula: C30 H46 N8 O4 S2 Zn
• Calculated formula: C30 H46 N8 O4 S2 Zn
• SMILES: CC1C=C(NCCNC(C)=CC(=[O][Zn]2(N=C=S)([O]=1)(N=C=S)[O]=C(C=C(C)NCCNC(C)=CC(=[O]2)C)C)C)C.N#CC.N#CC
• 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: 8.6118 ± 0.0001 Å
• b: 10.4897 ± 0.0001 Å
• c: 10.7485 ± 0.0001 Å
• α: 81.201 ± 0.001°
• β: 77.516 ± 0.001°
• γ: 77.06 ± 0.001°
• Cell volume: 918.341 ± 0.017 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: 0.0867
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No