Information card for entry 4517416

Structure parameters

• Formula: C28 H28 N6 O12 Zn
• Calculated formula: C28 H28 N6 O12 Zn
• SMILES: c1cc(cc[n]1[Zn](OC(=O)c1ccc(N(=O)=O)cc1)([n]1ccc(cc1)C(=O)N)OC(=O)c1ccc(N(=O)=O)cc1)C(=O)N.OC.OC
• Title of publication: Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.
• Authors of publication: Brahma, Rinki; Baruah, Jubaraj B.
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 3774 - 3785
• a: 20.1428 ± 0.0011 Å
• b: 6.2816 ± 0.0003 Å
• c: 25.1031 ± 0.0013 Å
• α: 90°
• β: 104.399 ± 0.005°
• γ: 90°
• Cell volume: 3076.5 ± 0.3 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: 0.0552
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No