Information card for entry 4316077

Structure parameters

• Common name: [Li(THF)4]{Fe4(mu3-S)4[N(TMS)2]4}
• Chemical name: [Li(THF)4]{Fe4(mu3-S)4[N(TMS)2]4}
• Formula: C40 H104 Fe4 Li N4 O4 S4 Si8
• Calculated formula: C40 H104 Fe4 Li N4 O4 S4 Si8
• Title of publication: [Fe4S4]q Cubane Clusters (q= 4+, 3+, 2+) with Terminal Amide Ligands
• Authors of publication: Christopher R. Sharp; Jeremiah S. Duncan; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6697 - 6705
• a: 12.7066 ± 0.0007 Å
• b: 12.7066 ± 0.0007 Å
• c: 21.6126 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3489.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No