Information card for entry 7716845

Structure parameters

• Chemical name: LAH070
• Formula: C38 H44 Fe N6 O2
• Calculated formula: C38 H44 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: 12.26012 ± 0.00012 Å
• b: 34.8934 ± 0.0003 Å
• c: 8.50505 ± 0.00008 Å
• α: 90°
• β: 100.161 ± 0.0008°
• γ: 90°
• Cell volume: 3581.37 ± 0.06 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No