Information card for entry 7116628

Structure parameters

• Chemical name: a21020a
• Formula: C26 H27 Cl2 Cu N5 O3
• Calculated formula: C26 H27 Cl2 Cu N5 O3
• SMILES: [Cu]12(Cl)(Cl)([n]3ccccc3c3[n]2c(cc(c3)c2occc2)c2[n]1cccc2)[n]1ccc(N(C)C)cc1.O.O
• Title of publication: The electronic effects of ligands on metal-coordination geometry: a key role in the visual discrimination of dimethylaminopyridine and its application towards chemo-switch
• Authors of publication: Weiwei Fang; Cong Liu; Jiangbo Chen; Zhengwei Lu; Zhi-Ming Li; Xiaoling Bao; Tao Tu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4267
• a: 10.671 ± 0.008 Å
• b: 11.025 ± 0.008 Å
• c: 11.868 ± 0.008 Å
• α: 89.45 ± 0.009°
• β: 77.812 ± 0.009°
• γ: 79.52 ± 0.009°
• Cell volume: 1341.4 ± 1.7 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: 0.0773
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No