Information card for entry 5000295

Structure parameters

• Formula: C114 H202 Mn8 O38
• Calculated formula: C110 H197 Mn8 N O41
• Title of publication: A new synthetic method to Mn carboxylate clusters: reductive fragmentation of [Mn~12~O~12~(O~2~CR)~16~(H~2~O)~4~] to [Mn~8~O~2~(O~2~CR)~14~(RCO~2~H)~4~] (R = CH2But)
• Authors of publication: Boskovic, Colette; Huffman, John C.; Christou, George
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 2502 - 2503
• a: 14.7812 ± 0.0004 Å
• b: 15.0833 ± 0.0004 Å
• c: 35.2358 ± 0.0009 Å
• α: 78.7348 ± 0.0012°
• β: 84.8151 ± 0.0012°
• γ: 61.9138 ± 0.0006°
• Cell volume: 6797.2 ± 0.3 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No