Information card for entry 4345960

Structure parameters

• Formula: C19 H17 I2 O P
• Calculated formula: C19 H17 I2 O P
• SMILES: I[P+](c1c(OC)cccc1)(c1ccccc1)c1ccccc1.[I-]
• 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: 8.7185 ± 0.0003 Å
• b: 9.8085 ± 0.0003 Å
• c: 11.5663 ± 0.0003 Å
• α: 94.431 ± 0.002°
• β: 95.603 ± 0.002°
• γ: 104.837 ± 0.002°
• Cell volume: 946.16 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No