Information card for entry 7128776

Structure parameters

• Formula: C32 H20 Cl12 N O4 P Si
• Calculated formula: C32 H20 Cl12 N O4 P Si
• SMILES: Clc1c2O[Si]34([P](c5ccccc5)(Cc5[n]4cccc5)c4ccccc4)(Oc4c(O3)c(Cl)c(Cl)c(Cl)c4Cl)Oc2c(Cl)c(Cl)c1Cl.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: 8.7056 ± 0.0005 Å
• b: 11.1906 ± 0.0006 Å
• c: 20.7094 ± 0.001 Å
• α: 77.511 ± 0.002°
• β: 89.089 ± 0.002°
• γ: 75.072 ± 0.002°
• Cell volume: 1901.61 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No