Information card for entry 7128017

Structure parameters

• Formula: C36 H306 Cl11 Dy36 N7 Ni12 O231
• Calculated formula: C36 H132 Cl6 Dy36 N9 Ni12 O234
• 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: 28.9037 ± 0.0005 Å
• b: 28.6333 ± 0.0004 Å
• c: 20.55 ± 0.0003 Å
• α: 90°
• β: 128.598 ± 0.002°
• γ: 90°
• Cell volume: 13292 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.235
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No