Information card for entry 4327322

Structure parameters

• Formula: C102 H194 Mn12 N2 O48
• Calculated formula: C99 H184.404 Mn12 O48
• Title of publication: New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate
• Authors of publication: Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4555 - 4567
• a: 16.285 ± 0.003 Å
• b: 16.556 ± 0.003 Å
• c: 27.839 ± 0.005 Å
• α: 83.524 ± 0.003°
• β: 74.242 ± 0.003°
• γ: 70.34 ± 0.003°
• Cell volume: 6801 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No