Information card for entry 7025625

Structure parameters

• Formula: C56 H152 Dy8 Mn9 N17 O87
• Calculated formula: C56 H108 Dy8 Mn9 N17 O87
• Title of publication: A heptadecanuclear MnIII9DyIII8 cluster derived from triethanolamine with two edge sharing supertetrahedra as the core and displaying SMM behaviour
• Authors of publication: Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 5066
• a: 14.25 ± 0.003 Å
• b: 34.26 ± 0.007 Å
• c: 14.65 ± 0.003 Å
• α: 90°
• β: 114.82 ± 0.03°
• γ: 90°
• Cell volume: 6492 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.77508 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No