Information card for entry 4078132

Structure parameters

• Formula: C47 H69 Fe2 S3 Si3
• Calculated formula: C47 H69 Fe2 S3 Si3
• SMILES: [Fe]1234567([Fe]89%10%11([S]1c1ccccc1[Si](C)(C)C)([S]2c1ccccc1[Si](C)(C)C)([S]3c1ccccc1[Si](C)(C)C)[c]1([c]9([c]8(C)[c]%11([c]%101C)C)C)C)[c]1([c]4(C)[c]7([c]5([c]61C)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: 24.6933 ± 0.0005 Å
• b: 24.6933 ± 0.0005 Å
• c: 13.8075 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7291.3 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No