Information card for entry 4102164

Structure parameters

• Formula: C25 H40 Mn3 N2 O9 Se3
• Calculated formula: C25 H40 Mn3 N2 O9 Se3
• Title of publication: Selective Insertion of Oxygen and Selenium into an Electron-Precise Paramagnetic Selenium-Manganese Carbonyl Cluster [Se6Mn6(CO)18]4-
• Authors of publication: Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Horng-Wen Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4032 - 4033
• a: 10.28 ± 0.0002 Å
• b: 12.077 ± 0.0002 Å
• c: 15.155 ± 0.0003 Å
• α: 104.021 ± 0.001°
• β: 97.014 ± 0.001°
• γ: 110.291 ± 0.001°
• Cell volume: 1667.67 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No