Information card for entry 4327170

Structure parameters

• Formula: C58 H117.5 Mn10 N27.5 O25.5
• Calculated formula: C58 H117.532 Mn10 N27.404 O25.532
• Title of publication: New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10
• Authors of publication: Arpita Saha; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12774 - 12784
• a: 13.058 ± 0.003 Å
• b: 16.551 ± 0.003 Å
• c: 22.339 ± 0.005 Å
• α: 82.451 ± 0.004°
• β: 82.488 ± 0.007°
• γ: 66.784 ± 0.007°
• Cell volume: 4382 ± 1.6 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: 0.0658
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No