Information card for entry 4517418

Structure parameters

• Formula: C26 H22 N6 O11 Zn
• Calculated formula: C26 H22 N6 O11 Zn
• SMILES: [Zn](OC(=O)c1c(N(=O)=O)cccc1)(OC(=O)c1ccccc1N(=O)=O)([OH2])([n]1ccc(cc1)C(=O)N)[n]1ccc(cc1)C(=O)N
• 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: 8.0671 ± 0.0006 Å
• b: 12.718 ± 0.002 Å
• c: 14.3069 ± 0.0018 Å
• α: 81.172 ± 0.013°
• β: 76.06 ± 0.009°
• γ: 74.624 ± 0.012°
• Cell volume: 1367.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No