Information card for entry 4318887

Structure parameters

• Formula: C42 H40 O6 Sm
• Calculated formula: C39 H57 O6 Sm
• SMILES: [Sm](Oc1c(cc(cc1C)C)C)(Oc1c(cc(cc1C)C)C)(Oc1c(cc(cc1C)C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 16.5822 ± 0.0009 Å
• b: 15.5668 ± 0.0009 Å
• c: 29.9017 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7718.6 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No