Information card for entry 4089536

Structure parameters

• Common name: HOLRC10
• Formula: C48 H75 Fe N4
• Calculated formula: C48 H75 Fe N4
• SMILES: [Fe]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[N](=[C]2=NC1CCCCC1)C1CCCCC1
• Title of publication: Mechanism of Catalytic Nitrene Transfer Using Iron(I)‒Isocyanide Complexes
• Authors of publication: Cowley, Ryan E.; Golder, Matthew R.; Eckert, Nathan A.; Al-Afyouni, Malik H.; Holland, Patrick L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5289
• a: 10.549 ± 0.005 Å
• b: 34.799 ± 0.015 Å
• c: 12.236 ± 0.005 Å
• α: 90°
• β: 97.234 ± 0.007°
• γ: 90°
• Cell volume: 4456 ± 3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1377
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No