Information card for entry 7025306

Structure parameters

• Formula: C122 H146 F8 Mn10 N10 O30
• Calculated formula: C122 H138 F8 Mn10 N10 O30
• Title of publication: Supertetrahedral icosanuclear and ring-like decanuclear mixed valent manganese(ii/iii) triethanolamine clusters
• Authors of publication: Langley, Stuart K.; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4848
• a: 14.6314 ± 0.0004 Å
• b: 20.7821 ± 0.0005 Å
• c: 24.1056 ± 0.0006 Å
• α: 64.69 ± 0.001°
• β: 89.462 ± 0.001°
• γ: 77.634 ± 0.001°
• Cell volume: 6444.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No