Information card for entry 4078473

Structure parameters

• Formula: C35 H60 Fe N2 Si2
• Calculated formula: C35 H60 Fe N2 Si2
• SMILES: C1(=[Fe](C[Si](C)(C)C)C[Si](C)(C)C)N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes
• Authors of publication: Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4102
• a: 10.8657 ± 0.0005 Å
• b: 19.6748 ± 0.001 Å
• c: 18.3887 ± 0.0007 Å
• α: 90°
• β: 102.853 ± 0.002°
• γ: 90°
• Cell volume: 3832.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No