Information card for entry 4331790

Structure parameters

• Common name: 2-Gd
• Formula: C140 H234 Gd6 Mn12 N8 O100
• Calculated formula: C128 H140 Gd6 Mn12 N8 O71
• Title of publication: Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants
• Authors of publication: Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 457 - 463
• a: 19.5839 ± 0.0011 Å
• b: 20.1363 ± 0.001 Å
• c: 26.3657 ± 0.0012 Å
• α: 81.921 ± 0.001°
• β: 89.758 ± 0.001°
• γ: 66.47 ± 0.001°
• Cell volume: 9422.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.293
• Weighted residual factors for all reflections included in the refinement: 0.3259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No