Information card for entry 4066853

Structure parameters

• Formula: C50 H80 Mn6 N4 O18 Se10
• Calculated formula: C50 H80 Mn6 N4 O18 Se10
• Title of publication: Selenium−Manganese Carbonyl Clusters: Synthesis, Reversible Transformation, Electrochemical Properties, and Theoretical Calculations
• Authors of publication: Ho, Chia-Hua; Chu, Yen-Yi; Lin, Chien-Nan; Chen, Horng-Wen; Huang, Chung-Yi; Shieh, Minghuey
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4396
• a: 10.9764 ± 0.0003 Å
• b: 13.6988 ± 0.0004 Å
• c: 24.3835 ± 0.0009 Å
• α: 90°
• β: 92.289 ± 0.001°
• γ: 90°
• Cell volume: 3663.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No