Information card for entry 7041564

Structure parameters

• Formula: C28 H28 Cl2 N4 O12 Zn
• Calculated formula: C28 H28 Cl2 N4 O12 Zn
• SMILES: [Zn]1234([O](c5c([N]2=Cc2[n]1c(OC)ccc2)cccc5)C)[O](c1c([N]4=Cc2[n]3c(OC)ccc2)cccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 8.4417 ± 0.0005 Å
• b: 10.097 ± 0.0008 Å
• c: 19.1575 ± 0.0013 Å
• α: 103.765 ± 0.002°
• β: 94.754 ± 0.002°
• γ: 101.537 ± 0.002°
• Cell volume: 1539.29 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No