Information card for entry 4119700

Structure parameters

• Formula: C27 H55 Cl Fe N2 P4 Si
• Calculated formula: C27 H55 Cl Fe N2 P4 Si
• SMILES: [Fe]12([P](C)(C)CC[P]1(C)C)([Si]1(Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)[P](CC[P]2(C)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: 9.2597 ± 0.0008 Å
• b: 9.8798 ± 0.0007 Å
• c: 20.4814 ± 0.0013 Å
• α: 79.223 ± 0.006°
• β: 84.675 ± 0.006°
• γ: 67.747 ± 0.007°
• Cell volume: 1703.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No