Information card for entry 4324475

Structure parameters

• Common name: Fe2(SMes)2(N{SiMe3}2)2(THF)2
• Formula: C38 H74 Fe2 N2 O2 S2 Si4
• Calculated formula: C38 H74 Fe2 N2 O2 S2 Si4
• SMILES: C[Si](C)(N([Fe]1([O]2CCCC2)[S](c2c(cc(cc2C)C)C)[Fe](N([Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)[S]1c1c(cc(cc1C)C)C)[Si](C)(C)C)C
• Title of publication: Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes
• Authors of publication: Michael J. Zdilla; Atul K. Verma; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1551 - 1562
• a: 10.4231 ± 0.0003 Å
• b: 10.9167 ± 0.0005 Å
• c: 12.8489 ± 0.0005 Å
• α: 66.488 ± 0.002°
• β: 69.768 ± 0.002°
• γ: 85.21 ± 0.002°
• Cell volume: 1255.4 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.1033
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No