Information card for entry 7006224

Structure parameters

• Common name: Tetrahydrofurane-1,4-dithiabutanediyl-bis(6-tert-butyl-4- methylphenolato)-trimethylsilylmethyl-lutetium(iii)
• Chemical name: Tetrahydrofurane-1,4-dithiabutanediyl-bis(6-tert-butyl-4-methylphenolato)- trimethylsilylmethyl-lutetium(III)
• Formula: C32 H51 Lu O3 S2 Si
• Calculated formula: C32 H51 Lu O3 S2 Si
• SMILES: [Si](C[Lu]123([S](c4c(O2)c(cc(c4)C)C(C)(C)C)CC[S]1c1c(O3)c(cc(c1)C)C(C)(C)C)[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: 8.7517 ± 0.0017 Å
• b: 12.703 ± 0.002 Å
• c: 16.986 ± 0.003 Å
• α: 75.023 ± 0.004°
• β: 82.049 ± 0.005°
• γ: 75.436 ± 0.004°
• Cell volume: 1760.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No