Information card for entry 7006541

Structure parameters

• Formula: C27 H58 Li4 N6 S Si
• Calculated formula: C27 H58 Li4 N6 S Si
• SMILES: [S]12=C3C([Si](C)(C)C)=CC=C[C]453[Li]31[N](C)(C)CC[N]3(C)[CH2]1[Li]5[CH2]([N]3(CC[N](C)(C)[Li]234)C)[Li]21[N](C)(C)CC[N]2(C)C
• Title of publication: Co-complexes of ortho-dilithiated thiophenol or 2-trimethylsilylthiophenol with lithiated TMEDA molecules: synthesis, crystal structures and theoretical studies (TMEDA = N,N,N',N'-tetramethylethylenediamine).
• Authors of publication: Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 967 - 974
• a: 11.488 ± 0.002 Å
• b: 17.147 ± 0.003 Å
• c: 19.45 ± 0.004 Å
• α: 90°
• β: 107.114 ± 0.004°
• γ: 90°
• Cell volume: 3661.7 ± 1.2 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 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: 0.1086
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No