Information card for entry 7006226

Structure parameters

• Common name: Tris(tetrahydrofurane)-thiobis(6-tert-butyl-4- methylphenolato)-diphenylmethoxy-lutetium(iii)
• Chemical name: Tris(tetrahydrofurane)-thiobis(6-tert-butyl-4-methylphenolato)- diphenylmethoxy-lutetium(III)
• Formula: C47 H63 Lu O6 S
• Calculated formula: C47 H63 Lu O6 S
• SMILES: [Lu]12([S](c3c(O1)c(C(C)(C)C)cc(C)c3)c1c(O2)c(C(C)(C)C)cc(C)c1)(OC(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Lutetium alkyl and hydride complexes in a non-cyclopentadienyl coordination environment.
• Authors of publication: Konkol, Marcin; Spaniol, Thomas P.; Kondracka, Małgorzata; Okuda, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 4095 - 4102
• a: 14.71 ± 0.003 Å
• b: 13.582 ± 0.003 Å
• c: 22.91 ± 0.004 Å
• α: 90°
• β: 108.29 ± 0.004°
• γ: 90°
• Cell volume: 4346 ± 1.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No