Information card for entry 4345969

Structure parameters

• Formula: C21 H21 Cl2 I4 O2 P
• Calculated formula: C21 H21 Cl2 I4 O2 P
• SMILES: I[P+](c1ccccc1OC)(c1ccccc1)c1c(OC)cccc1.[I-](I)I.ClCCl
• 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: 14.5165 ± 0.0002 Å
• b: 17.686 ± 0.0003 Å
• c: 22.1653 ± 0.0004 Å
• α: 90°
• β: 103.285 ± 0.0017°
• γ: 90°
• Cell volume: 5538.41 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No