Information card for entry 7057152

Structure parameters

• Formula: C40 H52 Gd2 Mn2 N5 O24
• Calculated formula: C40 H46 Gd2 Mn2 N5 O24
• Title of publication: Two tetranuclear 3d‒4f heterometal complexes Mn2Ln2 (Ln = Dy, Gd): synthesis, structure, magnetism, and electrocatalytic reactivity for water oxidation
• Authors of publication: Lan, Tian-Xiang; Gao, Wei-Song; Chen, Chang-Neng; Wang, Hui-Sheng; Wang, Mei; Fan, Yu-hua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 5798
• a: 11.52 ± 0.005 Å
• b: 21.297 ± 0.008 Å
• c: 21.084 ± 0.011 Å
• α: 90°
• β: 101.118 ± 0.006°
• γ: 90°
• Cell volume: 5076 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No