Information card for entry 4086925

Structure parameters

• Common name: sjfbk34
• Formula: C12 H13 Cl3 N2 O4 Si
• Calculated formula: C12 H13 Cl3 N2 O4 Si
• Title of publication: Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone
• Authors of publication: Koch, James G.; Brennessel, William W.; Kraft, Bradley M.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 594
• a: 11.6172 ± 0.0007 Å
• b: 12.1492 ± 0.0007 Å
• c: 12.8307 ± 0.0007 Å
• α: 90°
• β: 116.729 ± 0.001°
• γ: 90°
• Cell volume: 1617.42 ± 0.16 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0783
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No