Information card for entry 7128768

Structure parameters

• Formula: C36.5 H21 Cl9 N O5 P Si
• Calculated formula: C36.5 H21 Cl9 N O5 P Si
• SMILES: Clc1c2O[Si]3(Oc2c(Cl)c(Cl)c1Cl)(OC([P+](c1ccccc1)(c1ncccc1)c1ccccc1)c1ccccc1)Oc1c(O3)c(Cl)c(Cl)c(Cl)c1Cl.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: 15.162 ± 0.002 Å
• b: 16.186 ± 0.002 Å
• c: 18.463 ± 0.003 Å
• α: 109.982 ± 0.005°
• β: 90.192 ± 0.005°
• γ: 107.734 ± 0.006°
• Cell volume: 4026.6 ± 1 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: 0.1742
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No