Information card for entry 7000449

Structure parameters

• Common name: Mn18 correction
• Formula: C44 H92 Mn18 N42 O36
• Calculated formula: C44 H92 Mn18 N42 O36
• 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: 15.1519 ± 0.0007 Å
• b: 18.0423 ± 0.0009 Å
• c: 21.5306 ± 0.001 Å
• α: 67.445 ± 0.002°
• β: 79.357 ± 0.002°
• γ: 73.97 ± 0.002°
• Cell volume: 5203.8 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0706
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No