Information card for entry 4514928

Structure parameters

• Formula: C120 H168 Fe8 O48
• Calculated formula: C120 H168 Fe8 O48
• Title of publication: Characterization of Reactive Organometallic Species via MicroED.
• Authors of publication: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.
• Journal of publication: ACS central science
• Year of publication: 2019
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1507 - 1513
• a: 15.52 ± 0.003 Å
• b: 13.41 ± 0.003 Å
• c: 16.49 ± 0.003 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3432 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2014
• Residual factor for significantly intense reflections: 0.1607
• Weighted residual factors for significantly intense reflections: 0.3583
• Weighted residual factors for all reflections included in the refinement: 0.3941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.826
• Diffraction radiation wavelength: 0.01969 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No