Information card for entry 7225294

Structure parameters

• Formula: C32 H26 N2 O4 S2 Zn
• Calculated formula: C32 H26 N2 O4 S2 Zn
• SMILES: c12c(c(C=O)cc(C)c2)O[Zn]2345[N](=C1)c1c([S]3CC[S]4c3c([N]2=Cc2c(c(C=O)cc(C)c2)O5)cccc3)cccc1
• Title of publication: Imine functionalized thioether Zn(II) turn-on fluorescent sensor and selective sequential logic operations with H2PO4-, DFT computation and live cell imaging
• Authors of publication: Sinha, Chittaranjan; Patra, Chiranjit; Bhanja, Anup Kumar; Sen, Chandana; Ojha, Durbadal; Chattopadhyay, Debprasad; Mahapatra, Ambikesh
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 25.7165 ± 0.0008 Å
• b: 7.5044 ± 0.0002 Å
• c: 16.189 ± 0.0005 Å
• α: 90°
• β: 113.067 ± 0.002°
• γ: 90°
• Cell volume: 2874.47 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No