Information card for entry 4308980

Structure parameters

• Common name: (OC-6-12)-Bis(4-(isopropylimino)pent-2-en-2-olato(1-)-N,O)- di(thiocyanato-N)silicon(IV)
• Chemical name: (OC-6-12)-Bis[4-(isopropylimino)pent-2-en-2-olato(1-)-N,O]- di(thiocyanato-N)silicon(IV)
• Formula: C18 H28 N4 O2 S2 Si
• Calculated formula: C18 H28 N4 O2 S2 Si
• SMILES: [Si]12(OC(C)=CC(C)=[N]1C(C)C)(OC(C)=CC(C)=[N]2C(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: 7.0217 ± 0.0009 Å
• b: 8.6194 ± 0.0011 Å
• c: 9.3688 ± 0.0013 Å
• α: 76.053 ± 0.015°
• β: 84.672 ± 0.015°
• γ: 82.245 ± 0.014°
• Cell volume: 544.2 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No