Information card for entry 7128015

Structure parameters

• Formula: C36 H286 Cl4 Co12 Gd36 N20 Na6 O260
• Calculated formula: C36 H132 Cl6 Co12 Gd36 N O183
• Title of publication: Soluble lanthanide-transition-metal clusters Ln₃₆Co₁₂ as effective molecular electrocatalysts for water oxidation.
• Authors of publication: Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 29
• Pages of publication: 3611 - 3614
• a: 20.6147 ± 0.0005 Å
• b: 28.8773 ± 0.0009 Å
• c: 22.9058 ± 0.001 Å
• α: 90°
• β: 96.475 ± 0.003°
• γ: 90°
• Cell volume: 13548.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.298
• Weighted residual factors for all reflections included in the refinement: 0.3092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No