Information card for entry 4315685

Structure parameters

• Formula: C78 H78 B2 F6 Mn4 N26 O7 S2
• Calculated formula: C78 H78 B2 F6 Mn4 N26 O7 S2
• Title of publication: First Structurally Characterized Tricyanomanganate(III) and its Magnetic {MnIII2MII2} Complexes (MII= Mn, Ni)
• Authors of publication: Minao Tang; Dongfeng Li; Uma Prasad Mallik; Jeffrey R. Withers; Shari Brauer; Michael R. Rhodes; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Stephen M. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4753 - 4755
• a: 13.4311 ± 0.0012 Å
• b: 18.3323 ± 0.0017 Å
• c: 19.9431 ± 0.0019 Å
• α: 88.878 ± 0.005°
• β: 89.742 ± 0.005°
• γ: 74.204 ± 0.005°
• Cell volume: 4724.1 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No