Information card for entry 7207687

Structure parameters

• Formula: C15 H28 N4 O5 Si
• Calculated formula: C15 H28 N4 O5 Si
• SMILES: O=c1nc([nH]c(C)c1)NC(=O)NCCC[Si](OCC)(OCC)OCC
• Title of publication: Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.
• Authors of publication: Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5672 - 5679
• a: 35.463 ± 0.003 Å
• b: 35.463 ± 0.003 Å
• c: 7.8005 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8495.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.3174
• Residual factor for significantly intense reflections: 0.2631
• Weighted residual factors for significantly intense reflections: 0.6365
• Weighted residual factors for all reflections included in the refinement: 0.6768
• Goodness-of-fit parameter for all reflections included in the refinement: 2.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No