Information card for entry 4308978

Structure parameters

• Common name: (OC-6-12)-Di(cyanato-N)bis(4-(phenylimino)pent-2-en-2-olato(1- )-N,O)silicon(IV)
• Chemical name: (OC-6-12)-Di(cyanato-N)bis[4-(phenylimino)pent-2-en-2-olato(1-)-N,O]silicon(IV)
• Formula: C24 H24 N4 O4 Si
• Calculated formula: C24 H24 N4 O4 Si
• SMILES: C(=N[Si]12([N](=C(C=C(C)O1)C)c1ccccc1)(N=C=O)[N](=C(C=C(C)O2)C)c1ccccc1)=O
• 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: 7.8647 ± 0.0011 Å
• b: 8.9206 ± 0.0013 Å
• c: 9.0668 ± 0.0013 Å
• α: 80.584 ± 0.017°
• β: 89.652 ± 0.017°
• γ: 64.888 ± 0.016°
• Cell volume: 566.79 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No