Information card for entry 7041215

Structure parameters

• Formula: C17 H14 N4 O6 Zn
• Calculated formula: C17 H14 N4 O6 Zn
• SMILES: [Zn]12(ON(=O)=[O]1)(ON(=O)=O)[n]1c(ccc3ccccc13)C=[N]2c1ccc(cc1)C
• Title of publication: (E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.
• Authors of publication: Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 71 - 85
• a: 9.9019 ± 0.0016 Å
• b: 10.1635 ± 0.0017 Å
• c: 11.2566 ± 0.0019 Å
• α: 64.866 ± 0.002°
• β: 65.559 ± 0.002°
• γ: 64.576 ± 0.002°
• Cell volume: 888.4 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No