Information card for entry 4125390

Structure parameters

• Common name: FePrPrAmideData3
• Chemical name: 'FePrPrAmideData3'
• Formula: C23 H47 Fe N4 O2 S2
• Calculated formula: C23 H47 Fe N4 O2 S2
• Title of publication: Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.
• Authors of publication: Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 119 - 129
• a: 17.958 ± 0.0003 Å
• b: 8.561 ± 0.0006 Å
• c: 18.156 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2791.3 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No