Information card for entry 4326541

Structure parameters

• Formula: C52 H82 Mn2 N8 Ni2 O22
• Calculated formula: C52 H49.454 Mn2 N8 Ni2 O21.996
• Title of publication: Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters
• Authors of publication: Hui Chen; Cheng-Bing Ma; Da-Qiang Yuan; Ming-Qiang Hu; Hui-Min Wen; Qiu-Tian Liu; Chang-Neng Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10342 - 10352
• a: 9.092 ± 0.004 Å
• b: 17.554 ± 0.007 Å
• c: 18.843 ± 0.008 Å
• α: 90°
• β: 102.304 ± 0.007°
• γ: 90°
• Cell volume: 2938 ± 2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No