Information card for entry 4308981

Structure parameters

• Common name: (OC-6-2'2)-(4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2- olato(1-)-N,N',O,O')-di(thiocyanato-N)silicon(IV)
• Chemical name: (OC-6-2'2)-{4,4'-(Ethane-1,2-diyldinitrilo)bis[pent-2-en-2-olato(1-)- N,N',O,O']-di(thiocyanato-N)silicon(IV)
• Formula: C14 H18 N4 O2 S2 Si
• Calculated formula: C14 H18 N4 O2 S2 Si
• SMILES: [Si]123(OC(=CC(C)=[N]2CC[N]3=C(C=C(O1)C)C)C)(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: 13.554 ± 0.003 Å
• b: 8.711 ± 0.0017 Å
• c: 8.7748 ± 0.0018 Å
• α: 90°
• β: 121.99 ± 0.03°
• γ: 90°
• Cell volume: 878.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No