Information card for entry 4304793

Structure parameters

• Formula: C39 H75 Fe3 N3 S3 Se Si6
• Calculated formula: C39 H75 Fe3 N3 S3 Se Si6
• SMILES: C[Si](C)(C)N([Fe]12[S](c3ccc(cc3)C)[Fe]3([S](c4ccc(cc4)C)[Fe](N([Si](C)(C)C)[Si](C)(C)C)([S]1c1ccc(cc1)C)[Se]23)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• 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: 13.7863 ± 0.0014 Å
• b: 16.4287 ± 0.0018 Å
• c: 24.572 ± 0.003 Å
• α: 90°
• β: 90.918 ± 0.002°
• γ: 90°
• Cell volume: 5564.6 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No