Information card for entry 4304150

Structure parameters

• Formula: C42 H52 Cr Mn3 N6 O20 P2
• Calculated formula: C42 H52 Cr Mn3 N6 O20 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: 13.409 ± 0.003 Å
• b: 13.263 ± 0.003 Å
• c: 14.712 ± 0.003 Å
• α: 90°
• β: 106.16 ± 0.03°
• γ: 90°
• Cell volume: 2513.1 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No