Information card for entry 7133190

Structure parameters

• Formula: C52 H76 Fe N2 O2
• Calculated formula: C52 H76 Fe N2 O2
• Title of publication: Efficient Carbene Transfer Reactivity Mediated by Fe(II) Complexes Supported by Bulky Alkoxides
• Authors of publication: Wathsala Kulathungage, Lakshani; Kurup, Sudheer S.; Browne, Edison A.; Spalink, Gabriel H.; Ward, Cassandra L.; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 9.5346 ± 0.0008 Å
• b: 13.1604 ± 0.0012 Å
• c: 18.8315 ± 0.0015 Å
• α: 91.84 ± 0.003°
• β: 90.463 ± 0.003°
• γ: 91.367 ± 0.003°
• Cell volume: 2361 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2119
• Residual factor for significantly intense reflections: 0.1598
• Weighted residual factors for significantly intense reflections: 0.3966
• Weighted residual factors for all reflections included in the refinement: 0.4283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.435
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No