Information card for entry 4345973

Structure parameters

• Formula: C20 H19 I3 N P
• Calculated formula: C20 H19 I3 N P
• SMILES: [I-](I)I.[P+]1(c2ccccc2)(N(C)Cc2c1cccc2)c1ccccc1
• 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: 18.399 ± 0.0002 Å
• b: 12.17869 ± 0.00014 Å
• c: 9.99371 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2239.35 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No