Information card for entry 7128765

Structure parameters

• Formula: C19 H10 Cl8 N2 O4 Si
• Calculated formula: C19 H10 Cl8 N2 O4 Si
• SMILES: Clc1c2O[Si]34(Oc5c(Cl)c(Cl)c(Cl)c(Cl)c5O3)(Oc2c(Cl)c(Cl)c1Cl)[n]1c([N]4(C)C)cccc1
• Title of publication: Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.
• Authors of publication: Hartmann, Deborah; Braner, Sven; Greb, Lutz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 69
• Pages of publication: 8572 - 8575
• a: 14.391 ± 0.0013 Å
• b: 8.897 ± 0.0008 Å
• c: 36.446 ± 0.003 Å
• α: 90°
• β: 93.241 ± 0.003°
• γ: 90°
• Cell volume: 4659 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No