Information card for entry 1559454

Structure parameters

• Common name: [Mn(cyclam)Br2]Br
• Formula: C10 H24 Br3 Mn N4
• Calculated formula: C10 Br3 Mn N4
• SMILES: Br[Mn]123([NH]4CCC[NH]3CC[NH]2CCC[NH]1CC4)Br.[Br-]
• Title of publication: Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
• Authors of publication: Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 244 - 253
• a: 7.971 ± 0.002 Å
• b: 7.971 ± 0.002 Å
• c: 13.002 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 826.1 ± 0.4 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No