Information card for entry 7706608

Structure parameters

• Formula: C42 H30 N4 O2 S2 Zn
• Calculated formula: C42 H30 N4 O2 S2 Zn
• SMILES: [Zn]12([N](=Cc3cccc(c4sc5ccccc5n4)c3O2)Cc2ccccc2)Oc2c(C=[N]1Cc1ccccc1)cccc2c1sc2c(n1)cccc2
• Title of publication: ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.
• Authors of publication: Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3916 - 3922
• a: 9.1613 ± 0.00017 Å
• b: 14.4849 ± 0.0003 Å
• c: 14.8515 ± 0.0003 Å
• α: 118.361 ± 0.0019°
• β: 94.9008 ± 0.0016°
• γ: 96.0026 ± 0.0015°
• Cell volume: 1704.06 ± 0.07 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0404
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No