Information card for entry 7031021

Structure parameters

• Formula: C15 H16 Cl2 N4 O Zn
• Calculated formula: C15 H16 Cl2 N4 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(cccc2OC)C=[N]1c1ccc(N)cc1.N#CC
• Title of publication: N,N'-Bis((6-methoxylpyridin-2-yl)methylene)-p-phenylenediimine based d(10) transition metal complexes and their utilization in co-sensitized solar cells.
• Authors of publication: Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Na, Yong; Wang, Ping; Dong, Yuwei; Yang, Bin; Cao, Wenwu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11361 - 11370
• a: 7.585 ± 0.0015 Å
• b: 9.358 ± 0.0019 Å
• c: 13.408 ± 0.003 Å
• α: 99.77 ± 0.03°
• β: 94.79 ± 0.03°
• γ: 108.62 ± 0.03°
• Cell volume: 879.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No