Information card for entry 4078133

Structure parameters

• Formula: C38 H56 Ru2 S2 Si2
• Calculated formula: C38 H56 Ru2 S2 Si2
• SMILES: [Ru]123456([Ru]789%10([S]1c1ccccc1[Si](C)(C)C)([S]2c1c([Si](C)(C)C)cccc1)[c]1([c]7([c]9(C)[c]%10([c]81C)C)C)C)[c]1([c]4([c]3([c]6([c]51C)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: 12.763 ± 0.002 Å
• b: 18.57 ± 0.003 Å
• c: 16.934 ± 0.003 Å
• α: 90°
• β: 93.351 ± 0.003°
• γ: 90°
• Cell volume: 4006.6 ± 1.1 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No