Information card for entry 7015434

Structure parameters

• Formula: C50 H66 N4 O9 Zn2
• Calculated formula: C50 H66 N4 O9 Zn2
• SMILES: [Zn]12([N](NC(=[O]2)c2ccccc2)=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)([O]=C(O[Zn]12([N](NC(=[O]2)c2ccccc2)=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)[OH]CC)C)OC(=O)C
• Title of publication: Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.
• Authors of publication: Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5271 - 5277
• a: 16.739 ± 0.002 Å
• b: 10.4668 ± 0.0011 Å
• c: 29.254 ± 0.003 Å
• α: 90°
• β: 99.362 ± 0.002°
• γ: 90°
• Cell volume: 5057.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No