Information card for entry 4325271

Structure parameters

• Common name: [NEt4]2[Mn(CN)4]
• Formula: C20 H40 Mn N6
• Calculated formula: C20 H40 Mn N6
• SMILES: C(#N)[Mn](C#N)(C#N)C#N.C([N+](CC)(CC)CC)C.C(C)[N+](CC)(CC)CC
• Title of publication: Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates
• Authors of publication: Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5153 - 5164
• a: 15.459 ± 0.0004 Å
• b: 10.326 ± 0.0003 Å
• c: 15.699 ± 0.0005 Å
• α: 90°
• β: 99.175 ± 0.0011°
• γ: 90°
• Cell volume: 2473.96 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No