Information card for entry 7033879

Structure parameters

• Formula: C20 H18 N4 O2
• Calculated formula: C20 H18 N4 O2
• SMILES: COc1cccc(/C=N/c2cccc(c2)/N=C/c2cccc(OC)n2)n1
• Title of publication: Solvatochromic and application in dye-sensitized solar cells of sandwich-like Cd(ii) complexes: supramolecular architectures based on N(1),N(3)-bis[(6-methoxypyridin-2-yl)methylene]benzene-1,3-diamine.
• Authors of publication: Wang, Xin-Ming; Wang, Ping; Fan, Rui-Qing; Xu, Meng-Ying; Qiang, Liang-Sheng; Wei, Li-Guo; Yang, Yu-Lin; Wang, Yu-Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5179 - 5190
• a: 17.335 ± 0.004 Å
• b: 13.207 ± 0.003 Å
• c: 7.7439 ± 0.0015 Å
• α: 90°
• β: 94.11 ± 0.03°
• γ: 90°
• Cell volume: 1768.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1109
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No