Information card for entry 4306835

Structure parameters

• Formula: C50 H54 Br4 Fe Mn2 N11 O7
• Calculated formula: C50 H46 Br4 Fe Mn2 N11 O7
• SMILES: Brc1ccc2O[Mn]34(Oc5c(C=[N]4C(C([N]3=Cc2c1)(C)C)(C)C)cc(Br)cc5)([OH2])[N]#C[Fe]([n]1cn(cc1)C)(C#[N][Mn]123(Oc4ccc(Br)cc4C=[N]3C(C)(C)C([N]2=Cc2cc(Br)ccc2O1)(C)C)[OH2])(C#N)(C#N)C#N.OC
• Title of publication: Cyanide-Bridged Mn(III)-Fe(III) Bimetallic Complexes Based on the Pentacyano(1-methylimidazole)ferrate(III) Building Block: Structure and Magnetic Characterizations
• Authors of publication: Wei-Wei Ni; Zhong-Hai Ni; Ai-Li Cui; Xin Liang; Hui-Zhong Kou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 22 - 33
• a: 14.966 ± 0.007 Å
• b: 14.423 ± 0.007 Å
• c: 25.709 ± 0.01 Å
• α: 90°
• β: 92.97 ± 0.02°
• γ: 90°
• Cell volume: 5542 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4306833
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No