Information card for entry 4306834

Structure parameters

• Formula: C49 H52 Cl4 Fe Mn2 N11 O7
• Calculated formula: C49 H46 Cl4 Fe Mn2 N11 O7
• SMILES: [Fe](C#N)([n]1cn(cc1)C)(C#[N][Mn]123([N](C(C)(C([N]3=Cc3c(O2)ccc(Cl)c3)(C)C)C)=Cc2c(O1)ccc(Cl)c2)[OH2])(C#N)(C#N)C#[N][Mn]123(Oc4ccc(Cl)cc4C=[N]3C(C([N]1=Cc1c(O2)ccc(Cl)c1)(C)C)(C)C)[OH2].O
• 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: 14.892 ± 0.003 Å
• b: 14.443 ± 0.003 Å
• c: 25.42 ± 0.005 Å
• α: 90°
• β: 93 ± 0.03°
• γ: 90°
• Cell volume: 5460 ± 1.9 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: 0.1205
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No