Information card for entry 7107591

Structure parameters

• Formula: C31 H34 Cl2 N4 O12 Zn
• Calculated formula: C31 H34 Cl2 N4 O12 Zn
• SMILES: [Zn]123([OH2])[n]4c5c(ccc4C[N]2(Cc2[n]1cccc2)Cc1cccc[n]31)cc(cc5)/C=C/c1ccc(OC)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: 6-Substituted quinoline-based ratiometric two-photon fluorescent probes for biological Zn2+ detection
• Authors of publication: Xiangming Meng; Shuxing Wang; Yiming Li; Manzhou Zhu; Qingxiang Guo
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4196
• a: 22.391 ± 0.005 Å
• b: 14.404 ± 0.005 Å
• c: 22.72 ± 0.005 Å
• α: 90 ± 0.005°
• β: 110.108 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6881 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No