Information card for entry 4069025

Structure parameters

• Formula: C24 H26 N2 O3 S Si
• Calculated formula: C24 H26 N2 O3 S Si
• SMILES: c1(ccccc1)[Si]123([N](=C(C=C(C)O2)C)c2ccccc2S3)[O]=C(C=C(O1)C)C.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: 7.5308 ± 0.0007 Å
• b: 11.6477 ± 0.0012 Å
• c: 14.5508 ± 0.0016 Å
• α: 106.609 ± 0.004°
• β: 101.44 ± 0.004°
• γ: 102.127 ± 0.004°
• Cell volume: 1149.4 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No