Information card for entry 4315684

Structure parameters

• Formula: C26 H42 B Mn N10
• Calculated formula: C26 H42 B Mn N10
• SMILES: [Mn]12(C#N)(C#N)(C#N)[n]3c(C)cc(C)n3[BH](n3c(C)cc(C)[n]13)n1c(cc(C)[n]21)C.[N+](CC)(CC)(CC)CC
• 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: 9.8102 ± 0.0001 Å
• b: 9.8102 ± 0.0001 Å
• c: 26.2483 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2187.7 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No