Information card for entry 7128777

Structure parameters

• Formula: C45 H25 Cl16 F N4 O9 Si2
• Calculated formula: C45 H25 Cl16 F N4 O9 Si2
• SMILES: Clc1c2O[Si]3(Oc2c(Cl)c(Cl)c1Cl)(O[Si]12(Oc4c(Cl)c(Cl)c(Cl)c(Cl)c4O2)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3.N(c1[nH+]cc(C(c2c[nH+]c(cc2)N(C)C)c2ccc(F)cc2)cc1)(C)C
• 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: 13.35 ± 0.02 Å
• b: 14.77 ± 0.04 Å
• c: 16.46 ± 0.03 Å
• α: 86.32 ± 0.07°
• β: 78.14 ± 0.03°
• γ: 82.12 ± 0.07°
• Cell volume: 3144 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1995
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No