Information card for entry 7053714

Structure parameters

• Formula: C25 H27 Cl2 N5 O4 Zn
• Calculated formula: C25 H27 Cl2 N5 O4 Zn
• SMILES: [Zn]1(OC(=O)C)([n]2c(Nc3[n]1c1nc(cc(c1cc3)C)C)ccc1c2nc(cc1C)C)OC(=O)C.ClCCl
• Title of publication: Conformation impact on spectral properties of bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex
• Authors of publication: Chen, Yong; Fu, Wen-Fu; Li, Jun-Li; Zhao, Xi-Juan; Ou, Xue-Mei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 1785
• a: 12.609 ± 0.003 Å
• b: 15.421 ± 0.003 Å
• c: 14.505 ± 0.003 Å
• α: 90°
• β: 110.09 ± 0.03°
• γ: 90°
• Cell volume: 2648.8 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No