Information card for entry 7041565

Structure parameters

• Formula: C22 H16 Cl2 N2 Zn
• Calculated formula: C22 H16 Cl2 N2 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(ccc3c2cccc3)C=[N]1c1ccc(cc1)c1ccccc1
• Title of publication: Different conjugated system Zn(ii) Schiff base complexes: supramolecular structure, luminescent properties, and applications in the PMMA-doped hybrid materials.
• Authors of publication: Dong, Yu-Wei; Fan, Rui-Qing; Chen, Wei; Zhang, Hui-Jie; Song, Yang; Du, Xi; Wang, Ping; Wei, Li-Guo; Yang, Yu-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1266 - 1276
• a: 8.4734 ± 0.0005 Å
• b: 9.7404 ± 0.0005 Å
• c: 12.535 ± 0.0006 Å
• α: 82.088 ± 0.004°
• β: 72.926 ± 0.005°
• γ: 78.764 ± 0.005°
• Cell volume: 966.44 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No