Information card for entry 7020870

Structure parameters

• Formula: C119 H117 Mn4 S4 Si4
• Calculated formula: C114 H105 Mn4 S4 Si4
• Title of publication: Exchange-coupled oxygen- and sulfur-bridged cyclopentadienyl-manganese(II) cages.
• Authors of publication: Smith, Charlene A.; Tuna, Floriana; Bodensteiner, Michael; Helliwell, Madeleine; Collison, David; Layfield, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 71 - 74
• a: 20.0897 ± 0.0002 Å
• b: 20.0897 ± 0.0002 Å
• c: 14.0486 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4910.33 ± 0.1 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No