Information card for entry 4517414

Structure parameters

• Formula: C26 H28 N6 O14 Zn
• Calculated formula: C26 H28 N6 O14 Zn
• SMILES: C(=O)(c1c(cccc1)N(=O)=O)O[Zn]([n]1cccc(c1)C(=O)N)([OH2])([n]1cccc(c1)C(=O)N)(OC(=O)c1c(cccc1)N(=O)=O)[OH2].O.O
• 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: 7.8574 ± 0.0004 Å
• b: 19.2849 ± 0.0009 Å
• c: 9.9755 ± 0.0005 Å
• α: 90°
• β: 102.355 ± 0.001°
• γ: 90°
• Cell volume: 1476.57 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No