Information card for entry 7112701

Structure parameters

• Formula: C32 H12 F10 N4 O2 Zn
• Calculated formula: C32 H12 F10 N4 O2 Zn
• SMILES: [Zn]12(n3c(C=O)ccc3C(=c3[n]1ccc3)c1c(F)c(F)c(F)c(F)c1F)n1c(C=O)ccc1C(=c1[n]2ccc1)c1c(F)c(F)c(F)c(F)c1F
• 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: 56.69 ± 0.005 Å
• b: 7.655 ± 0.0008 Å
• c: 13.1551 ± 0.0012 Å
• α: 90°
• β: 92.736 ± 0.001°
• γ: 90°
• Cell volume: 5702.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No