Information card for entry 7033195

Structure parameters

• Formula: C101 H137.5 Mn4 N2.5 O14 S4
• Calculated formula: C101 H137.5 Mn4 N2.5 O14 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: 11.7551 ± 0.0004 Å
• b: 20.5583 ± 0.0007 Å
• c: 21.0755 ± 0.0007 Å
• α: 88.406 ± 0.003°
• β: 86.173 ± 0.003°
• γ: 86.9 ± 0.003°
• Cell volume: 5072.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1315
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No