Information card for entry 4345962

Structure parameters

• Formula: C21 H22 I2 N P
• Calculated formula: C21 H22 I2 N P
• SMILES: I[P+](c1ccccc1CN(C)C)(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: 9.0359 ± 0.0003 Å
• b: 25.5171 ± 0.0007 Å
• c: 9.4963 ± 0.0003 Å
• α: 90°
• β: 106.832 ± 0.003°
• γ: 90°
• Cell volume: 2095.76 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0437
• 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: No
• Has Fobs: No