Information card for entry 2205488

Structure parameters

• Chemical name: diaquadi-μ-cyano-dicyanodimethanolbis[N,N'-o-phenylenebis(pyridine-2- carboxamidato)]diiron(III)manganese(II)
• Formula: C42 H40 Fe2 Mn N12 O10
• Calculated formula: C42 H40 Fe2 Mn N12 O10
• SMILES: C([Fe]123(C#N)[n]4c(cccc4)C(=O)N1c1ccccc1N2C(=O)c1[n]3cccc1)#[N][Mn]([N]#C[Fe]123(C#N)[n]4ccccc4C(=O)N1c1ccccc1N2C(=O)c1[n]3cccc1)([OH]C)([OH]C)([OH2])[OH2].O.O
• Title of publication: A cyano-bridged trimeric complex [Mn(CH~3~OH)~2~(H~2~O)~2~][Fe(bpb)(CN)~2~]~2~·2H~2~O [bpb^2{-^} is 1,2-bis(pyridine-2-carboxamido)benzenate]
• Authors of publication: Ni, Zhong-Hai; Kou, Hui-Zhong; Zhang, Li-Fang; Jiang, Yun-Bo; Cui, Ai-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m796 - m798
• a: 14.011 ± 0.003 Å
• b: 13.247 ± 0.002 Å
• c: 12.701 ± 0.002 Å
• α: 90°
• β: 106.834 ± 0.015°
• γ: 90°
• Cell volume: 2256.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes