Information card for entry 4065545

Structure parameters

• Formula: C35 H56 Cl Fe N3 Si2
• Calculated formula: C35 H56 Cl Fe N3 Si2
• SMILES: C1(N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Fe](N([Si](C)(C)C)[Si](C)(C)C)Cl.CCCCC
• Title of publication: Aminolysis of Bis[bis(trimethylsilyl)amido]iron and -cobalt as a Versatile Route to N-Heterocyclic Carbene Complexes
• Authors of publication: Danopoulos, Andreas A.; Braunstein, Pierre; Stylianides, Neoklis; Wesolek, Marcel
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6514
• a: 17.3055 ± 0.0004 Å
• b: 12.5893 ± 0.0003 Å
• c: 37.1204 ± 0.0008 Å
• α: 90°
• β: 96.856 ± 0.001°
• γ: 90°
• Cell volume: 8029.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No