Information card for entry 7000448

Structure parameters

• Common name: Mn10
• Formula: C54 H105 Mn10 N9 O45
• Calculated formula: C54 H105 Mn10 N9 O45
• Title of publication: Structure and magnetism of decanuclear and octadecanuclear manganese(II/III) triethanolamine clusters
• Authors of publication: Langley, Stuart K.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 973 - 982
• a: 19.6925 ± 0.0007 Å
• b: 22.2926 ± 0.0007 Å
• c: 22.0596 ± 0.0008 Å
• α: 90°
• β: 99.083 ± 0.002°
• γ: 90°
• Cell volume: 9562.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1737
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2842
• Weighted residual factors for all reflections included in the refinement: 0.3167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No