Information card for entry 7715166

Structure parameters

• Formula: C16 H28 Cu N4 O8 P2
• Calculated formula: C16 H28 Cu N4 O8 P2
• Title of publication: Improvement of electrocatalytic water oxidation activity of novel copper complex by modulating the axial coordination of phosphate on metal center.
• Authors of publication: Wang, Jieying; Ping, Yezi; Chen, Yanmei; Liu, Shanshan; Dong, Jinfeng; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5222 - 5229
• a: 13.4467 ± 0.0008 Å
• b: 12.0071 ± 0.0009 Å
• c: 12.9894 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2097.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No