Information card for entry 4129955

Structure parameters

• Formula: C66 H116 Fe3 K N6 O9 Si3
• Calculated formula: C66 H116 Fe3 K N6 O9 Si3
• Title of publication: Maximizing Electron Exchange in a [Fe3] Cluster.
• Authors of publication: Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2235 - 2243
• a: 25.347 ± 0.004 Å
• b: 19.541 ± 0.003 Å
• c: 30.42 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15067 ± 4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No