Information card for entry 4308976

Structure parameters

• Common name: trans-Bis(4-(isopropylimino)pent-2-en-2-olato(1-))- tetra(thiocyanato-N)silicon(IV)
• Chemical name: trans-Bis[4-(isopropylimino)pent-2-en-2-olato(1-)]- tetra(thiocyanato-N)silicon(IV)
• Formula: C20 H30 N6 O2 S4 Si
• Calculated formula: C20 H30 N6 O2 S4 Si
• SMILES: [O](=C(/C=C(\NC(C)C)C)C)[Si](N=C=S)([O]=C(/C=C(\NC(C)C)C)C)(N=C=S)(N=C=S)N=C=S
• 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: 9.5949 ± 0.0013 Å
• b: 10.7216 ± 0.0014 Å
• c: 13.339 ± 0.002 Å
• α: 90°
• β: 100.57 ± 0.017°
• γ: 90°
• Cell volume: 1348.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No