Information card for entry 7714574

Structure parameters

• Formula: C19 H29 B2 Cu F8 N5
• Calculated formula: C19 H29 B2 Cu F8 N5
• Title of publication: Impact of the hybridization form of the coordinated nitrogen atom on the electrocatalytic water oxidation performance of copper complexes with pentadentate amine-pyridine ligands.
• Authors of publication: Yu, Kaishan; Wang, Tao; Sun, Yue; Kang, Mei; Wang, Xinxin; Zhu, Dingwei; Xue, Siyi; Shen, Junyu; Zhang, Qijian; Liu, Jinxuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 612 - 618
• a: 14.2265 ± 0.0018 Å
• b: 25.288 ± 0.003 Å
• c: 14.4222 ± 0.0019 Å
• α: 90°
• β: 108.422 ± 0.003°
• γ: 90°
• Cell volume: 4922.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No