Information card for entry 7128775

Structure parameters

• Formula: C39 H26 Cl12 N O5 P Si
• Calculated formula: C39 H26 Cl12 N O5 P Si
• SMILES: Clc1c2O[Si]3(Oc4c(Cl)c(Cl)c(Cl)c(Cl)c4O3)(Oc2c(Cl)c(Cl)c1Cl)OC([P+](c1ncccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C.ClCCl.ClCCl
• 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: 15.5399 ± 0.0011 Å
• b: 16.4844 ± 0.0012 Å
• c: 17.4224 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4463 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No