Information card for entry 7228049

Structure parameters

• Formula: C38 H45 N5 O6 Zn
• Calculated formula: C38 H45 N5 O6 Zn
• SMILES: [Zn]123(Oc4c(C=[N]2c2c([N]3=Cc3c5ccccc5ccc3O1)cc(N(=O)=O)cc2)cc(cc4C(C)(C)C)C(C)(C)C)[O]=CN(C)C.N(C=O)(C)C
• 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: 9.0919 ± 0.0005 Å
• b: 11.467 ± 0.0006 Å
• c: 18.2129 ± 0.0009 Å
• α: 101.076 ± 0.002°
• β: 90.19 ± 0.002°
• γ: 96.853 ± 0.002°
• Cell volume: 1849.47 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No