Information card for entry 4326538

Structure parameters

• Formula: C84 H80 Cl2 Mn4 N16 Ni5 O24
• Calculated formula: C84 H80 Cl2 Mn4 N16 Ni5 O24
• 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: 16.097 ± 0.004 Å
• b: 18.556 ± 0.005 Å
• c: 22.29 ± 0.006 Å
• α: 109.646 ± 0.002°
• β: 98.1 ± 0.001°
• γ: 108.283 ± 0.003°
• Cell volume: 5723 ± 3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No