Information card for entry 2232491

Structure parameters

• Chemical name: Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]
• Formula: C18 H42 Cl6 Fe2 Mn N6 O7
• Calculated formula: C18 H42 Cl6 Fe2 Mn N6 O7
• SMILES: CN(C=[O][Mn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)C.[Fe](Cl)(Cl)(Cl)O[Fe](Cl)(Cl)Cl
• Title of publication: Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]
• Authors of publication: Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Omelchenko, Irina V.; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1563 - m1564
• a: 14.0171 ± 0.0008 Å
• b: 14.0171 ± 0.0008 Å
• c: 15.3966 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2619.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes