Information card for entry 7004258

Structure parameters

• Formula: C34 H52 Br4 Mn4 N8 O8
• Calculated formula: C34 H52 Br4 Mn4 N8 O8
• SMILES: Br[Mn]12([n]3ccccc3c3cccc[n]13)([O]1CC[N]34CC[O]5[Mn]6789%10[Mn]14([NH2]CC3)(O6)([O]2CC[N]7(CC[O]9[Mn]15(Br)(Br)[n]2c(cccc2)c2cccc[n]12)CC[NH2]8)O%10)Br.CO.CO
• 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: 9.1916 ± 0.0003 Å
• b: 9.4296 ± 0.0003 Å
• c: 14.1811 ± 0.0005 Å
• α: 103.468 ± 0.002°
• β: 90.43 ± 0.002°
• γ: 111.896 ± 0.002°
• Cell volume: 1103.01 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.043
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No