Information card for entry 4327208

Structure parameters

• Common name: [Fe3Cl4(DME)5][Fe4(mu3-NtBu)4Cl4]2.DME
• Formula: C56 H132 Cl12 Fe11 N8 O12
• Calculated formula: C56 H132 Cl12 Fe11 N8 O12
• Title of publication: Synthesis and Elaboration of the Dinuclear Iron-Imide Cluster Core [Fe2(μ-NR)2]2+
• Authors of publication: Jeremiah S. Duncan; Michael J. Zdilla; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1071 - 1080
• a: 21.2691 ± 0.001 Å
• b: 27.751 ± 0.002 Å
• c: 19.323 ± 0.0012 Å
• α: 90°
• β: 119.177 ± 0.003°
• γ: 90°
• Cell volume: 9958.1 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections: 0.1566
• Weighted residual factors for significantly intense reflections: 0.1444
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No