Information card for entry 4347786

Structure parameters

• Common name: sila-PETNC
• Chemical name: Tetrakis(nitrocarbamoylmethyl)silane
• Formula: C8 H12 N8 O16 Si
• Calculated formula: C8 H12 N8 O16 Si
• SMILES: [Si](COC(=O)NN(=O)=O)(COC(=O)NN(=O)=O)(COC(=O)NN(=O)=O)COC(=O)NN(=O)=O
• Title of publication: Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.
• Authors of publication: Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4683 - 4692
• a: 10.0675 ± 0.0004 Å
• b: 10.0675 ± 0.0004 Å
• c: 9.7196 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 985.13 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No