Information card for entry 4312443

Structure parameters

• Formula: C110.5 H155.5 F6 Mn13 N36 O27.25
• Calculated formula: C110.5 H24 F6 Mn13 N36 O27.25
• Title of publication: New Routes to High Nuclearity Clusters: Fluoride-Based Octametallic and Tridecametallic Clusters of Manganese
• Authors of publication: Leigh F. Jones; Euan K. Brechin; David Collison; James Raftery; Simon J. Teat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6971 - 6973
• a: 17.5604 ± 0.0013 Å
• b: 17.7334 ± 0.0013 Å
• c: 30.679 ± 0.002 Å
• α: 89.695 ± 0.002°
• β: 73.548 ± 0.002°
• γ: 60.85 ± 0.002°
• Cell volume: 7901.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1105
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.24
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.6935 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No