Information card for entry 7128769

Structure parameters

• Formula: C29 H14 Cl8 N O4 P Si
• Calculated formula: C29 H14 Cl8 N O4 P Si
• SMILES: Clc1c(Cl)c(Cl)c(Cl)c2O[Si]34([P](c5[n]4cccc5)(c4ccccc4)c4ccccc4)(Oc4c(O3)c(Cl)c(Cl)c(Cl)c4Cl)Oc12
• 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: 12.5198 ± 0.0017 Å
• b: 12.5964 ± 0.0018 Å
• c: 12.8616 ± 0.0017 Å
• α: 63.404 ± 0.005°
• β: 83.62 ± 0.005°
• γ: 86.982 ± 0.005°
• Cell volume: 1802.5 ± 0.4 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: 0.0976
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No