Information card for entry 4082551

Structure parameters

• Common name: sjfbk05
• Formula: C12 H14 N2 O4 Si
• Calculated formula: C12 H14 N2 O4 Si
• Title of publication: Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone
• Authors of publication: Kraft, Bradley M.; Brennessel, William W.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 158
• a: 14.0702 ± 0.0015 Å
• b: 12.7016 ± 0.0013 Å
• c: 7.1877 ± 0.0008 Å
• α: 90°
• β: 97.958 ± 0.002°
• γ: 90°
• Cell volume: 1272.2 ± 0.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0512
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No