Information card for entry 4106993

Structure parameters

• Formula: C114 H156 Mn6 N15
• Calculated formula: C114 H156 Mn6 N15
• 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: 14.0111 ± 0.0016 Å
• b: 14.0448 ± 0.0016 Å
• c: 15.648 ± 0.003 Å
• α: 95.488 ± 0.002°
• β: 103.923 ± 0.002°
• γ: 116.907 ± 0.002°
• Cell volume: 2589.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No