Information card for entry 7227113

Structure parameters

• Formula: C13 H12 Cl2 N2 Zn
• Calculated formula: C13 H12 Cl2 N2 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(cccc2)C(=[N]1c1ccccc1)C
• Title of publication: Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands
• Authors of publication: Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.5582 ± 0.0005 Å
• b: 10.9115 ± 0.0005 Å
• c: 13.6401 ± 0.0006 Å
• α: 90°
• β: 92.856 ± 0.004°
• γ: 90°
• Cell volume: 1420.82 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No