Information card for entry 4323579

Structure parameters

• Formula: C36.44 H56.6 Bi3 Cl8 Fe N3 O3.86
• Calculated formula: C36.48 H56.7 Bi3 Cl8 Fe N3 O3.87
• Title of publication: Halide Ion Addition to Bismuth-Containing Iron Carbonyl Compounds: Synthesis and Characterization of the Two Bridged-Butterfly Cluster Compounds [Et4N][(μ-H)Fe2(CO)6Bi2{μ-Fe(CO)4}] and [{PhCH2NMe3}{(μ-H)Fe2(CO)6Bi2(μ-Cl)2}]∞and Stabilization of Reduced-Hypervalent Bismuth Centers by Coordination to a Metal Center in [PhCH2NMe3]3[Bi3Cl4(μ-Cl)4{Fe(CO)3}]
• Authors of publication: Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4387 - 4396
• a: 20.801 ± 0.004 Å
• b: 19.937 ± 0.004 Å
• c: 25.48 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10567 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1979
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections: 0.1894
• Weighted residual factors for significantly intense reflections: 0.1417
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No