Information card for entry 7128843

Structure parameters

• Formula: C48 H52 Fe N2 O2 Si
• Calculated formula: C48 H52 Fe N2 O2 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)[Si]1(N3c2c(cccc2C(C)C)C(C)C)OC(=C(c2ccccc2)O1)c1ccccc1
• 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: 11.3202 ± 0.0007 Å
• b: 11.3024 ± 0.0006 Å
• c: 16.7461 ± 0.0009 Å
• α: 84.184 ± 0.004°
• β: 70.145 ± 0.005°
• γ: 88.898 ± 0.005°
• Cell volume: 2004.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No