Information card for entry 7006469

Structure parameters

• Formula: C50 H94 Br4 Mn8 N2 O24
• Calculated formula: C50 H94 Br4 Mn8 N2 O24
• Title of publication: 1,1,1-Tris(hydroxymethyl)propane in manganese carboxylate chemistry: synthesis, structure and magnetic properties of a mixed-valence [MnIII4MnII4] cluster featuring the novel [MnIII4MnII4(mu3-OR)6(mu2-OR)8]6+ core.
• Authors of publication: Milios, Constantinos J.; Fabbiani, Francesca P. A.; Parsons, Simon; Murugesu, Muralee; Christou, George; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 2
• Pages of publication: 351 - 356
• a: 11.4048 ± 0.0002 Å
• b: 12.8147 ± 0.0003 Å
• c: 14.1353 ± 0.0003 Å
• α: 108.259 ± 0.001°
• β: 97.21 ± 0.001°
• γ: 110.739 ± 0.001°
• Cell volume: 1768.5 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1667
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No