Information card for entry 7033881

Structure parameters

• Formula: C52 H58 Cd2 Cl4 N14 O22
• Calculated formula: C52 H58 Cd2 Cl4 N14 O22
• SMILES: COc1cccc2C=[N]3c4cccc(c4)[N]4=Cc5[n](c(OC)ccc5)[Cd]54([n]4c(cccc4C=[N]5c4cc([N]5=Cc6[n](c(OC)ccc6)[Cd]35([n]12)([N]#CC)[OH2])ccc4)OC)([N]#CC)[OH2].N#CC.N#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.N#CC.N#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 12.217 ± 0.002 Å
• b: 20.167 ± 0.004 Å
• c: 14.706 ± 0.003 Å
• α: 90°
• β: 111.96 ± 0.03°
• γ: 90°
• Cell volume: 3360.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No