Information card for entry 7058899

Structure parameters

• Formula: C26 H23 Cl2 Cu N5 O8
• Calculated formula: C26 H23 Cl2 Cu N5 O8
• Title of publication: Electrocatalytic Reduction of Protons to Hydrogen by a Copper Complex of the Pentadentate Ligand Dmphen-DPA in Nonaqueous Electrolyte
• Authors of publication: Gao, Yingchun; Zhao, Yingguo; Song, Xiao-Wei; Huang, Rong-Yi; Meng, Yan; Wang, Junwei; Wang, Wenjing; Chen, Chengneng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 12.7945 ± 0.0019 Å
• b: 14.576 ± 0.002 Å
• c: 15.784 ± 0.002 Å
• α: 90°
• β: 112.699 ± 0.003°
• γ: 90°
• Cell volume: 2715.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No