Information card for entry 4517415

Structure parameters

• Formula: C20 H20 N4 O12 Zn
• Calculated formula: C20 H20 N4 O12 Zn
• SMILES: [Zn]1([OH2])([O]=C(O1)c1ccc(N(=O)=O)cc1)([OH2])([OH2])[n]1cc(C(=O)N)ccc1.O=C([O-])c1ccc(N(=O)=O)cc1
• 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: 5.9866 ± 0.0007 Å
• b: 8.7293 ± 0.001 Å
• c: 22.354 ± 0.003 Å
• α: 96.624 ± 0.003°
• β: 90.797 ± 0.004°
• γ: 90.264 ± 0.003°
• Cell volume: 1160.3 ± 0.2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No