Information card for entry 7040335

Structure parameters

• Formula: C28 H24 N2 O4 Zn
• Calculated formula: C28 H24 N2 O4 Zn
• SMILES: [Zn]12(OC(=O)C)([n]3c(cccc3)C(=C(c3ccccc3)c3ccccc3)c3[n]1cccc3)[O]=C(O2)C
• Title of publication: A selective fluorescent sensor for Zn(2+) based on aggregation-induced emission (AIE) activity and metal chelating ability of bis(2-pyridyl)diphenylethylene.
• Authors of publication: Gabr, Moustafa T.; Pigge, F. Christopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14039 - 14043
• a: 8.5965 ± 0.0009 Å
• b: 18.1619 ± 0.0018 Å
• c: 15.3006 ± 0.0015 Å
• α: 90°
• β: 90.404 ± 0.004°
• γ: 90°
• Cell volume: 2388.8 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 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: 0.0361
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No