Information card for entry 7024204

Structure parameters

• Formula: C14 H12 K2 N10 O6 Si
• Calculated formula: C14 H12 K2 N10 O6 Si
• SMILES: [K]([N]#CC)[N]#CC.[Si](N=C=O)(N=C=O)(N=C=O)(N=C=O)(N=C=O)N=C=O.[K]([N]#CC)[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: 8.427 ± 0.003 Å
• b: 12.522 ± 0.004 Å
• c: 11.404 ± 0.004 Å
• α: 90°
• β: 102.948 ± 0.004°
• γ: 90°
• Cell volume: 1172.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No