Information card for entry 7019867

Structure parameters

• Formula: C65 H109.5 Cl3 F3 Mn7 N7.5 O25
• Calculated formula: C65 H105.509 Cl3 F3 Mn7 N7.5 O25
• Title of publication: Unusual oxidation state distributions observed for two mixed-valence heptanuclear manganese disc-like clusters.
• Authors of publication: Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9789 - 9796
• a: 13.7426 ± 0.0005 Å
• b: 17.0063 ± 0.0006 Å
• c: 21.7683 ± 0.0011 Å
• α: 109.096 ± 0.002°
• β: 91.689 ± 0.002°
• γ: 112.636 ± 0.002°
• Cell volume: 4366.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No