Information card for entry 4078135

Structure parameters

• Formula: C23 H38 Fe S Si2
• Calculated formula: C22 H36 Fe S Si2
• SMILES: [Fe]123456789([c]%10([c]4([Si](C)(C)C)[cH]5[cH]2[cH]3[c]6%10[Si](C)(C)C)[S-])[c]2([c]8([c]7(C)[c]9([c]12C)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: 10.985 ± 0.001 Å
• b: 15.8855 ± 0.0014 Å
• c: 15.9669 ± 0.0016 Å
• α: 92.938 ± 0.002°
• β: 107.854 ± 0.003°
• γ: 107.113 ± 0.002°
• Cell volume: 2503.8 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No