Information card for entry 1570494

Structure parameters

• Formula: C48 H128 Cl11 Cu24 Gd6 N12 O138
• Calculated formula: C48 H128 Cl11 Cu24 Gd6 N12 O138
• Title of publication: Soluble Gd₆Cu₂₄ clusters: effective molecular electrocatalysts for water oxidation.
• Authors of publication: Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 511 - 515
• a: 18.7431 ± 0.0005 Å
• b: 18.7639 ± 0.0005 Å
• c: 19.9485 ± 0.0006 Å
• α: 65.084 ± 0.003°
• β: 76.898 ± 0.002°
• γ: 60.275 ± 0.003°
• Cell volume: 5524.1 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0596
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No