Information card for entry 4086926

Structure parameters

• Common name: sjfbk28
• Formula: C13 H11 Cl7 D2 N2 O4 Si
• Calculated formula: C13 H11 Cl7 D2 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: 25.893 ± 0.009 Å
• b: 12.562 ± 0.005 Å
• c: 13.006 ± 0.005 Å
• α: 90°
• β: 91.035 ± 0.006°
• γ: 90°
• Cell volume: 4230 ± 3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No