Information card for entry 4318889

Structure parameters

• Formula: C60 H105 Al2 O9 Sm
• Calculated formula: C60 H105 Al2 O9 Sm
• SMILES: [Sm]1([O](C(C)(C)C)[Al]2([O](C(C)(C)C)[Al]([O]2C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]1C(C)(C)C)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
• Title of publication: Salt-Free Synthesis of Samarium-Aluminum Mixed-Metal Alkoxides: X-ray Crystal Structures of {[(i-Pr-O)(i-Bu)Al(μ-O-i-Pr)2Sm(O-i-Pr)(HO-i-Pr)](μ-O-i-Pr)}2, [(THF)2Sm(O-t-Bu)2(μ-O-t-Bu)2Al(i-Bu)2], Sm(OAr)3(THF)3 (Ar = 2,4,6-Me3C6H2), [Nd(μ-OAr)(OAr)2(py)2]2 (Ar = 2,4,6-Me3C6H2), and (ArO)3Sm[(μ-O-t-Bu)2Al2(O-t-Bu)4] (Ar = 2,6-i-Pr2C6H3)
• Authors of publication: Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott; John G. Watkin; Kenneth J. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6372 - 6379
• a: 14.096 ± 0.0007 Å
• b: 27.3037 ± 0.0015 Å
• c: 16.7893 ± 0.0009 Å
• α: 90°
• β: 92.216 ± 0.001°
• γ: 90°
• Cell volume: 6456.9 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No