Information card for entry 7024206

Structure parameters

• Formula: C18 H11 N7 O4 Si
• Calculated formula: C18 H11 N7 O4 Si
• SMILES: [Si]1(N=C=O)(N=C=O)(N=C=O)(N=C=O)[n]2cccc3ccc4ccc[n]1c4c23.N#CC
• Title of publication: A new hexakis(isocyanato)silicate(IV) and the first neutral Lewis-base adducts of silicon tetraisocyanate.
• Authors of publication: Portius, Peter; Davis, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 527 - 532
• a: 6.9932 ± 0.0009 Å
• b: 18.085 ± 0.002 Å
• c: 14.1246 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1786.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No