Information card for entry 4318888

Structure parameters

• Formula: C88 H102 N4 Nd2 O6
• Calculated formula: C88 H102 N4 Nd2 O6
• SMILES: [n]1(ccccc1)[Nd]1(Oc2c(cc(cc2C)C)C)([n]2ccccc2)([O](c2c(cc(cc2C)C)C)[Nd]([n]2ccccc2)([n]2ccccc2)([O]1c1c(cc(cc1C)C)C)(Oc1c(cc(cc1C)C)C)Oc1c(cc(cc1C)C)C)Oc1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1
• 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: 13.4496 ± 0.0008 Å
• b: 20.0339 ± 0.0012 Å
• c: 16.2062 ± 0.001 Å
• α: 90°
• β: 113.782 ± 0.001°
• γ: 90°
• Cell volume: 3995.9 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.562
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No