Information card for entry 7128778

Structure parameters

• Formula: C30 H16 Cl8 N O4 P Si
• Calculated formula: C30 H16 Cl8 N O4 P Si
• SMILES: Clc1c(Cl)c(Cl)c2O[Si]34([P](Cc5[n]4cccc5)(c4ccccc4)c4ccccc4)(Oc2c1Cl)Oc1c(O3)c(Cl)c(Cl)c(Cl)c1Cl
• 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: 23.136 ± 0.004 Å
• b: 12.559 ± 0.002 Å
• c: 24.311 ± 0.004 Å
• α: 90°
• β: 115.803 ± 0.006°
• γ: 90°
• Cell volume: 6359.6 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No