Information card for entry 7716844

Structure parameters

• Formula: C42 H48 Fe N6 O2
• Calculated formula: C42 H48 Fe N6 O2
• Title of publication: Tailoring C-H amination activity <i>via</i> modification of the triazole-derived carbene ligand.
• Authors of publication: Hudson, Luke A.; Stroek, Wowa; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 14795 - 14800
• a: 10.1907 ± 0.0002 Å
• b: 24.2458 ± 0.0004 Å
• c: 15.4249 ± 0.0003 Å
• α: 90°
• β: 95.8494 ± 0.0019°
• γ: 90°
• Cell volume: 3791.37 ± 0.12 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No