Information card for entry 7128767

Structure parameters

• Formula: C40 H28 Cl12 N O5 P Si
• Calculated formula: C40 H28 Cl12 N O5 P Si
• 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: 12.6888 ± 0.001 Å
• b: 17.8472 ± 0.0012 Å
• c: 20.3151 ± 0.0017 Å
• α: 90°
• β: 90.872 ± 0.003°
• γ: 90°
• Cell volume: 4600 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No