Information card for entry 4119701

Structure parameters

• Formula: C28 H58 Fe N2 P4 Si
• Calculated formula: C28 H58 Fe N2 P4 Si
• SMILES: [Fe]12([Si]3([N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)C)([P](C)(CC[P]2(C)C)C)[P](C)(CC[P]1(C)C)C
• Title of publication: Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex
• Authors of publication: Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6703 - 6713
• a: 36.85 ± 0.005 Å
• b: 9.3961 ± 0.0005 Å
• c: 23.976 ± 0.003 Å
• α: 90°
• β: 123.614 ± 0.016°
• γ: 90°
• Cell volume: 6913.5 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1278
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No