Information card for entry 7004257

Structure parameters

• Formula: C10 H24 Br Mn2 N5 O6
• Calculated formula: C9 H20 Br Mn2 N5 O5
• Title of publication: Rare tetranuclear mixed-valent [MnII2MnIV2] clusters as building blocks for extended networks
• Authors of publication: Karotsis, Georgios; Jones, Leigh F.; Papaefstathiou, Giannis S.; Collins, Anna; Parsons, Simon; Nguyen, Tuyen D.; Evangelisti, Marco; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4917 - 4925
• a: 14.6719 ± 0.0004 Å
• b: 10.878 ± 0.0003 Å
• c: 14.9952 ± 0.0004 Å
• α: 90°
• β: 113.491 ± 0.001°
• γ: 90°
• Cell volume: 2194.9 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No