Information card for entry 7033880

Structure parameters

• Formula: C40 H40 Cd2 N12 O18
• Calculated formula: C40 H40 Cd2 N12 O18
• SMILES: c1c2cccc1[N]1=Cc3cccc([n]3[Cd]341([N](c1cc(ccc1)[N]1[Cd]56([N]2=Cc2cccc([n]52)OC)([OH2])(ON(=[O]6)=O)[n]2c(C=1)cccc2OC)=Cc1cccc([n]31)OC)([OH2])ON(=O)=[O]4)OC.N(=O)(=O)[O-].N(=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: 8.851 ± 0.0018 Å
• b: 11.372 ± 0.002 Å
• c: 12.324 ± 0.003 Å
• α: 90.55 ± 0.03°
• β: 100.25 ± 0.03°
• γ: 108.59 ± 0.03°
• Cell volume: 1154 ± 0.5 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: 0.1002
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No