Information card for entry 7041217

Structure parameters

• Formula: C21 H20 Cd N2 O4
• Calculated formula: C21 H20 Cd N2 O4
• SMILES: Cc1ccc([N]2[Cd]34([O]=C(C)O3)([O]=C(C)O4)[n]3c(ccc4ccccc34)C=2)cc1
• 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: 20.8054 ± 0.0012 Å
• b: 13.7431 ± 0.0008 Å
• c: 27.765 ± 0.0012 Å
• α: 90°
• β: 131.796 ± 0.003°
• γ: 90°
• Cell volume: 5918.6 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No