Information card for entry 1572558

Structure parameters

• Formula: C52 H60 F12 Fe N8 P2
• Calculated formula: C52 H60 F12 Fe N8 P2
• Title of publication: Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.
• Authors of publication: Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 15625 - 15631
• a: 11.2151 ± 0.0007 Å
• b: 11.2151 ± 0.0007 Å
• c: 39.789 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4334.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No