Information card for entry 4304794

Structure parameters

• Formula: C52 H109 Fe3 N3 O S4 Si6
• Calculated formula: C52 H109 Fe3 N3 O S4 Si6
• Title of publication: A New Class of Binuclear and Trinuclear Iron-Sulfur Clusters Derived from Bis[bis(trimethylsilyl)amido]iron(II)
• Authors of publication: Ruslan Pryadun; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3366 - 3370
• a: 12.7083 ± 0.001 Å
• b: 23.1244 ± 0.0017 Å
• c: 23.0203 ± 0.0018 Å
• α: 90°
• β: 93.909 ± 0.002°
• γ: 90°
• Cell volume: 6749.3 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No