Information card for entry 4345968

Structure parameters

• Formula: C105 H64 B2 Cl2 F48 I2 O4 P2
• Calculated formula: C105 H64 B2 Cl2 F48 I2 O4 P2
• Title of publication: Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.
• Authors of publication: Borys, Andryj M.; Clark, Ewan R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 12.46086 ± 0.00015 Å
• b: 34.0625 ± 0.0003 Å
• c: 13.54015 ± 0.00016 Å
• α: 90°
• β: 110.611 ± 0.0013°
• γ: 90°
• Cell volume: 5379.22 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No