Information card for entry 1551459

Structure parameters

• Formula: C25 H25 Br8 Cl2 F K O10 Si
• Calculated formula: C25 H25 Br8 Cl2 F K O10 Si
• SMILES: Brc1c2O[Si]3([F][K]45678([O]9CC[O]4CC[O]5CC[O]6CC[O]7CC[O]8CC9)[Cl]CCl)(Oc2c(Br)c(Br)c1Br)Oc1c(O3)c(Br)c(Br)c(Br)c1Br
• 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: 11.428 ± 0.002 Å
• b: 12.75 ± 0.003 Å
• c: 15.069 ± 0.003 Å
• α: 71.12 ± 0.03°
• β: 71.13 ± 0.03°
• γ: 69.23 ± 0.03°
• Cell volume: 1887.7 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No