Information card for entry 7135806

Structure parameters

• Chemical name: CuN3_Complex
• Formula: C124 H150 Cu F6 N8 O7 P
• Calculated formula: C124 H150 Cu F6 N8 O7 P
• Title of publication: Tuning the Interlocking in Partially Saturated Copper(I) Rotaxane Complexes for O2-to-H2O Electrocatalytic Reduction
• Authors of publication: Zhang, Yan; Yau, Hei Tung; Chen, Qi-Fa; Deng, Yulin; Ying, Zhuoliang; Lee, Seungkyu; Au-Yeung, Ho Yu; Tse, Edmund C. M.
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 34.636 ± 0.007 Å
• b: 16.348 ± 0.003 Å
• c: 20.073 ± 0.004 Å
• α: 90°
• β: 92.404 ± 0.005°
• γ: 90°
• Cell volume: 11356 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.15
• Weighted residual factors for significantly intense reflections: 0.3039
• Weighted residual factors for all reflections included in the refinement: 0.3263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No