Information card for entry 7033192

Structure parameters

• Formula: C108 H166 Mn4 O20 S4
• Calculated formula: C108 H158 Mn4 O20 S4
• Title of publication: Manganese-calcium clusters supported by calixarenes.
• Authors of publication: Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2132 - 2137
• a: 12.1507 ± 0.0016 Å
• b: 12.4163 ± 0.0016 Å
• c: 18.597 ± 0.002 Å
• α: 87.084 ± 0.01°
• β: 83.453 ± 0.01°
• γ: 84.328 ± 0.011°
• Cell volume: 2771.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1898
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No