Information card for entry 1551465

Structure parameters

• Formula: C48 H38 Cl N O4 P2 Si
• Calculated formula: C48 H38 Cl N O4 P2 Si
• SMILES: Cl[Si]12(Oc3c(O1)cccc3)Oc1c(O2)cccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity
• Authors of publication: Hartmann, Deborah; Schädler, Marcel; Greb, Lutz
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.425 ± 0.0015 Å
• b: 10.425 ± 0.0015 Å
• c: 37.648 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4091.6 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1843
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No