Information card for entry 7228050

Structure parameters

• Formula: C30 H35 N3 O5 Zn
• Calculated formula: C30 H35 N3 O5 Zn
• SMILES: [Zn]123(Oc4c(C=[N]2c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)ccc(N(=O)=O)c2)cccc4)[OH]CC
• Title of publication: Red-shift in fluorescence emission of D–A type asymmetrical Zn(ii) complexes by extending the π–π stacking interaction
• Authors of publication: Wang, Wen-Jie; Hao, Liang; Chen, Chao-Yuan; Qiu, Qi-Ming; Wang, Ke; Song, Jian-Biao; Li, Hui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 33
• Pages of publication: 20488
• a: 23.447 ± 0.003 Å
• b: 18.503 ± 0.003 Å
• c: 14.697 ± 0.002 Å
• α: 90°
• β: 109.402 ± 0.005°
• γ: 90°
• Cell volume: 6014 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1261
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No