Information card for entry 2226760

Structure parameters

• Chemical name: Bis(1,3-dibenzylimidazolium) μ-oxido-bis[trichloridoferrate(III)]
• Formula: C34 H34 Cl6 Fe2 N4 O
• Calculated formula: C34 H34 Cl6 Fe2 N4 O
• SMILES: c1n(cc[n+]1Cc1ccccc1)Cc1ccccc1.Cl[Fe](O[Fe](Cl)(Cl)Cl)(Cl)Cl.c1n(cc[n+]1Cc1ccccc1)Cc1ccccc1
• Title of publication: Bis(1,3-dibenzylimidazolium) μ-oxido-bis[trichloridoferrate(III)]
• Authors of publication: Mutambi, E. M.; Adams, C. J.; Orpen, A. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m846
• a: 16.2468 ± 0.0005 Å
• b: 12.8841 ± 0.0004 Å
• c: 17.6041 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3684.99 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes