Information card for entry 7033199

Structure parameters

• Formula: C102.65 H142.85 Ca2 Mn N7.55 O15.55 S8
• Calculated formula: C102.65 H142.85 Ca2 Mn N7.55 O15.55 S8
• 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: 16.8316 ± 0.0005 Å
• b: 19.3323 ± 0.0004 Å
• c: 34.4393 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11206.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No