Information card for entry 4517417

Structure parameters

• Formula: C42 H36 N8 O20 Zn2
• Calculated formula: C42 H36 N8 O20 Zn2
• SMILES: C1(c2cccc(c2)N(=O)=O)=[O][Zn]([n]2ccc(cc2)C(=O)N)(OC(c2cccc(c2)N(=O)=O)=[O][Zn]([n]2ccc(cc2)C(=O)N)(O1)(OC(=O)c1cc(N(=O)=O)ccc1)[OH]C)(OC(=O)c1cc(N(=O)=O)ccc1)[OH]C
• 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: 22.0343 ± 0.0008 Å
• b: 13.6328 ± 0.0005 Å
• c: 15.1548 ± 0.0006 Å
• α: 90°
• β: 100.715 ± 0.001°
• γ: 90°
• Cell volume: 4473 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No