Information card for entry 4106990

Structure parameters

• Formula: C39 H56 Mn3 N6 O4
• Calculated formula: C39 H56 Mn3 N6 O4
• Title of publication: Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities
• Authors of publication: Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16750 - 16753
• a: 12.401 ± 0.002 Å
• b: 13.0834 ± 0.0016 Å
• c: 13.8401 ± 0.0014 Å
• α: 73.935 ± 0.007°
• β: 77.584 ± 0.007°
• γ: 62.279 ± 0.006°
• Cell volume: 1900.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0647
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No