Information card for entry 7128773

Structure parameters

• Formula: C37 H22 Cl8 N O5 P Si
• Calculated formula: C37 H22 Cl8 N O5 P Si
• SMILES: Clc1c(Cl)c(Cl)c2O[Si]3(Oc4c(O3)c(Cl)c(Cl)c(Cl)c4Cl)(Oc2c1Cl)OC([P+](c1ncccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C
• 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: 33.002 ± 0.006 Å
• b: 15.336 ± 0.003 Å
• c: 18.448 ± 0.004 Å
• α: 90°
• β: 119.585 ± 0.007°
• γ: 90°
• Cell volume: 8120 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No