Information card for entry 7128846

Structure parameters

• Formula: C37 H48 Fe N2 O Si
• Calculated formula: C37 H48 Fe N2 O Si
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)N(c1c(cccc1C(C)C)C(C)C)[SiH](N3c1c(cccc1C(C)C)C(C)C)OC(=C)C
• Title of publication: Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.
• Authors of publication: Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 74
• Pages of publication: 9378 - 9381
• a: 35.2084 ± 0.0015 Å
• b: 11.2249 ± 0.0004 Å
• c: 17.4082 ± 0.0007 Å
• α: 90°
• β: 107.998 ± 0.003°
• γ: 90°
• Cell volume: 6543.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0665
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No