Information card for entry 4310897

Structure parameters

• Formula: C20 H20 Br6 Fe2 Re
• Calculated formula: C20 Br6 Fe2 Re
• SMILES: [Re](Br)(Br)(Br)(Br)([Br-])[Br-].[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51.[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)
• Authors of publication: Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3013 - 3019
• a: 14.317 ± 0.003 Å
• b: 16.848 ± 0.003 Å
• c: 22.099 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5330.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.2422
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No