Information card for entry 4069027

Structure parameters

• Formula: C29 H28 N2 O3 S Si
• Calculated formula: C29 H28 N2 O3 S Si
• SMILES: c1(ccccc1)[Si]123([N](c4c(cccc4)S3)=C(C)C=C(C)O1)OC(=CC(C)=[O]2)c1ccccc1.C(#N)C
• Title of publication: Neutral Hexacoordinate Silicon(iv) Complexes with anSiSO3NC Skeleton and a Neutral Pentacoordinate Silicon(iv) Complex Containing a Trianionic TetradentateO,N,O,OLigand
• Authors of publication: Metz, Stefan; Burschka, Christian; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2311
• a: 7.5963 ± 0.0002 Å
• b: 11.4719 ± 0.0003 Å
• c: 15.5091 ± 0.0004 Å
• α: 80.172 ± 0.001°
• β: 81.501 ± 0.001°
• γ: 77.925 ± 0.001°
• Cell volume: 1293.39 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No