Information card for entry 7006223

Structure parameters

• Common name: Bis(tetrahydrofurane)-thiobis(4,6-di-tert-butylphenolato)- trimethylsilylmethyl-lutetium(iii)
• Chemical name: Bis(tetrahydrofurane)-thiobis(4,6-di-tert-butylphenolato)- trimethylsilylmethyl-lutetium(III)
• Formula: C40 H67 Lu O4 S Si
• Calculated formula: C40 H67 Lu O4 S Si
• SMILES: [Si](C[Lu]12([S](c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)(C)(C)C
• 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: 10.82 ± 0.003 Å
• b: 23.858 ± 0.006 Å
• c: 16.458 ± 0.004 Å
• α: 90°
• β: 93.261 ± 0.004°
• γ: 90°
• Cell volume: 4241.6 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No