Information card for entry 4304525

Structure parameters

• Formula: C119 H120 Ca2 Mn12 N44 O65
• Calculated formula: C119 H120 Ca2 Mn12 N43.892 O64.716
• Title of publication: Employment of 2,6-Diacetylpyridine Dioxime as a New Route to High Nuclearity Metal Clusters: Mn6 and Mn8 Complexes
• Authors of publication: Theocharis C. Stamatatos; Brian S. Luisi; Brian Moulton; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1134 - 1144
• a: 24.3751 ± 0.0012 Å
• b: 24.3751 ± 0.0012 Å
• c: 14.1764 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8422.8 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No