Information card for entry 4308977

Structure parameters

• Common name: (OC-6-12)-Bis(4-benzylimino)pent-2-en-2-olato(1-)- N,O)di(cyanato-N)silicon(IV)
• Chemical name: (OC-6-12)-Bis[4-benzylimino)pent-2-en-2-olato(1-)-N,O]di(cyanato-N)silicon(IV)
• Formula: C26 H28 N4 O4 Si
• Calculated formula: C26 H28 N4 O4 Si
• SMILES: [Si]12(OC(=CC(=[N]1Cc1ccccc1)C)C)(OC(=CC(=[N]2Cc1ccccc1)C)C)(N=C=O)N=C=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: 17.273 ± 0.003 Å
• b: 9.905 ± 0.0011 Å
• c: 15.552 ± 0.002 Å
• α: 90°
• β: 116.242 ± 0.017°
• γ: 90°
• Cell volume: 2386.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No