Information card for entry 7005063

Structure parameters

• Formula: C168 H140 Mn13 O51
• Calculated formula: C168 H138 Mn13 O51
• Title of publication: Synthesis and characterisation of a mixed-valence Mn13 complex with S6 symmetry by using 2-phenoxybenzoate.
• Authors of publication: Ferguson, Alan; Thomson, Katrina; Parkin, Andrew; Cooper, Paul; Milios, Constantinos J.; Brechin, Euan K.; Murrie, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 728 - 730
• a: 27.775 ± 0.0005 Å
• b: 27.775 ± 0.0005 Å
• c: 17.732 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11846.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.6894 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No