Information card for entry 7006222

Structure parameters

• Common name: Bis(tetrahydrofurane)-thiobis(6-tert-butyl-4-methylphenolato)- trimethylsilylmethyl-lutetium(iii)
• Chemical name: Bis(tetrahydrofurane)-thiobis(6-tert-butyl-4-methylphenolato)- trimethylsilylmethyl-lutetium(III)
• Formula: C34 H55 Lu O4 S Si
• Calculated formula: C34 H55 Lu O4 S Si
• SMILES: [Lu]12([S](c3c(O1)c(cc(c3)C)C(C)(C)C)c1c(O2)c(cc(c1)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)C[Si](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: 17.657 ± 0.003 Å
• b: 18.687 ± 0.003 Å
• c: 22.178 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7318 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.1013
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No