Information card for entry 1570495

Structure parameters

• Formula: C73 H156 Cl16 Cu24 Gd6 N36 O151
• Calculated formula: C73 H156 Cl16 Cu24 Gd6 N36 O151
• 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: 20.0889 ± 0.0006 Å
• b: 20.0889 ± 0.0006 Å
• c: 57.4977 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20095.3 ± 0.9 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2772
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No