Information card for entry 4108819

Structure parameters

• Formula: C21 H34 Fe N3
• Calculated formula: C21 H34 Fe N3
• Title of publication: C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene
• Authors of publication: Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17174 - 17186
• a: 9.257 ± 0.007 Å
• b: 10.883 ± 0.007 Å
• c: 12.182 ± 0.008 Å
• α: 101.044 ± 0.006°
• β: 110.649 ± 0.003°
• γ: 109.369 ± 0.008°
• Cell volume: 1015.1 ± 1.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No