Information card for entry 4078134

Structure parameters

• Formula: C31 H47 F3 Fe2 N2 O3 S2 Si
• Calculated formula: C31 H47 F3 Fe2 N2 O3 S2 Si
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]1672345[N]2(C)[NH]1[Fe]134572([c]2([c]5([c]4([c]3([c]12C)C)C)C)C)[S]6c1c(cccc1)[Si](C)(C)C)C)C)C)C.S(=O)(=O)(C(F)(F)F)[O-]
• 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: 11.072 ± 0.002 Å
• b: 15.416 ± 0.003 Å
• c: 21.854 ± 0.004 Å
• α: 95.023 ± 0.004°
• β: 98.802 ± 0.003°
• γ: 101.281 ± 0.004°
• Cell volume: 3588.4 ± 1.2 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No