Information card for entry 4078131

Structure parameters

• Formula: C30 H46 Fe2 N2 S Si
• Calculated formula: C30 H46 Fe2 N2 S Si
• SMILES: [Fe]1234567([Fe]89%10%11%12([S]1c1ccccc1[Si](C)(C)C)([c]1([c]8([c]%11([c]%12([c]91C)C)C)C)C)[N]5=[N]7%10C)[c]1([c]2([c]3([c]6([c]41C)C)C)C)C
• Title of publication: Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines
• Authors of publication: Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2953
• a: 11.1305 ± 0.0004 Å
• b: 18.4097 ± 0.0006 Å
• c: 15.4573 ± 0.0005 Å
• α: 90°
• β: 103.257 ± 0.001°
• γ: 90°
• Cell volume: 3082.94 ± 0.18 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No