Information card for entry 4070959

Structure parameters

• Formula: C91.5 H160.5 I0.5 K O14.5 Sm6
• Calculated formula: C91.51 H48 I0.49 K O14.51 Sm6
• Title of publication: Samarium(III) Pentalene Sandwich Compounds [Sm(η8-C8H4{SiiPr3-1,4}2)(Cp*)] and [Sm(η8-C8H4{SiiPr3-1,4}2)(η5-C8H5{SiiPr3-1,4}2)] and a Mixed-Valence Hexasamarium Cluster Derived from Sm(II)-Based Solvent Activation
• Authors of publication: Summerscales, Owen T.; Johnston, David R.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5612
• a: 26.6451 ± 0.0009 Å
• b: 26.6451 ± 0.0009 Å
• c: 26.6451 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18917 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No