Information card for entry 4308979

Structure parameters

• Common name: (OC-6-12)-Bis(4-(phenylimino)pent-2-en-2-olato(1-)-N,O)- di(thiocyanato-N)silicon(IV)
• Chemical name: (OC-6-12)-Bis[4-(phenylimino)pent-2-en-2-olato(1-)-N,O]- di(thiocyanato-N)silicon(IV)
• Formula: C24 H24 N4 O2 S2 Si
• Calculated formula: C24 H24 N4 O2 S2 Si
• SMILES: C1=C(O[Si]2([N](=C1C)c1ccccc1)(OC(=CC(C)=[N]2c1ccccc1)C)(N=C=S)N=C=S)C
• Title of publication: Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands
• Authors of publication: Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2337 - 2346
• a: 17.299 ± 0.002 Å
• b: 11.8942 ± 0.0016 Å
• c: 12.1345 ± 0.0016 Å
• α: 90°
• β: 104.082 ± 0.014°
• γ: 90°
• Cell volume: 2421.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No