Information card for entry 4064876

Structure parameters

• Formula: C41 H52 Fe N2 O Si
• Calculated formula: C41 H52 Fe N2 O Si
• SMILES: C1(=CC(=C)N(c2c(cccc2C(C)C)C(C)C)[SiH](N1c1c(cccc1C(C)C)C(C)C)OC(=C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C
• Title of publication: Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone
• Authors of publication: Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3853
• a: 21.2031 ± 0.0005 Å
• b: 10.0796 ± 0.0002 Å
• c: 35.5186 ± 0.0008 Å
• α: 90°
• β: 104.555 ± 0.001°
• γ: 90°
• Cell volume: 7347.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No