Information card for entry 4082594

Structure parameters

• Formula: C14 H14 N2 O6 Si
• Calculated formula: C14 H14 N2 O6 Si
• SMILES: [Si](Oc1ccc(N(=O)=O)cc1)(Oc1ccc(N(=O)=O)cc1)(C)C
• Title of publication: Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties
• Authors of publication: Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 112
• a: 11.97 ± 0.0007 Å
• b: 11.2769 ± 0.0005 Å
• c: 12.7707 ± 0.0007 Å
• α: 90°
• β: 117.734 ± 0.004°
• γ: 90°
• Cell volume: 1525.81 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No