Information card for entry 7033485

Structure parameters

• Formula: C14 H14 Cd Cl2 N2 O2
• Calculated formula: C14 H14 Cd Cl2 N2 O2
• SMILES: [Cd]12(Cl)(Cl)[O](c3c([N]2=Cc2[n]1c(OC)ccc2)cccc3)C
• Title of publication: Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.
• Authors of publication: Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5306 - 5322
• a: 8.089 ± 0.0016 Å
• b: 26.743 ± 0.005 Å
• c: 7.806 ± 0.0016 Å
• α: 90°
• β: 113.11 ± 0.03°
• γ: 90°
• Cell volume: 1553.1 ± 0.6 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: 0.0791
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No