Information card for entry 7112703

Structure parameters

• Formula: C28 H19 F10 N3 O5 Zn
• Calculated formula: C28 H19 F10 N3 O5 Zn
• SMILES: [Zn]12(n3c(C(=C4C=CC(=O)N14)c1c(F)c(F)c(F)c(F)c1F)ccc3C(=c1[n]2ccc1)c1c(F)c(F)c(F)c(F)c1F)([OH2])[OH2].OC.OC
• Title of publication: Selective and sensitive "turn-on" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths.
• Authors of publication: Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 5431 - 5433
• a: 7.507 ± 0.0008 Å
• b: 16.0921 ± 0.0017 Å
• c: 49.02 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5921.8 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1783
• Residual factor for significantly intense reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.3127
• Weighted residual factors for all reflections included in the refinement: 0.3381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No