Information card for entry 4304152

Structure parameters

• Formula: C66 H64 Cr Mn3 N6 O24 P2
• Calculated formula: C66 H64 Cr Mn3 N6 O24 P2
• Title of publication: Tetranuclear Clusters Containing a CrIII-Doped MnIII4O2 Core: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Yun-Sheng Ma; Yi-Zhi Li; You Song; Li-Min Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4536 - 4544
• a: 10.796 ± 0.0018 Å
• b: 14.295 ± 0.002 Å
• c: 14.649 ± 0.003 Å
• α: 111.586 ± 0.003°
• β: 110.37 ± 0.003°
• γ: 96.781 ± 0.003°
• Cell volume: 1890.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No