Information card for entry 7116631

Structure parameters

• Chemical name: mo_30916b
• Formula: C26 H27 Cl2 Cu N5 O2 S
• Calculated formula: C26 H27 Cl2 Cu N5 O2 S
• 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: 10.634 ± 0.003 Å
• b: 10.982 ± 0.003 Å
• c: 11.926 ± 0.003 Å
• α: 89.311 ± 0.004°
• β: 77.918 ± 0.004°
• γ: 79.929 ± 0.004°
• Cell volume: 1340.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No