Information card for entry 7041218

Structure parameters

• Formula: C17 H14 Cl2 Hg N2
• Calculated formula: C17 H14 Cl2 Hg N2
• SMILES: [Hg]1(Cl)(Cl)[n]2c(ccc3ccccc23)C=[N]1c1ccc(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: 7.763 ± 0.002 Å
• b: 19.036 ± 0.005 Å
• c: 11.243 ± 0.003 Å
• α: 90°
• β: 90.374 ± 0.005°
• γ: 90°
• Cell volume: 1661.4 ± 0.8 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: 0.0438
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No