Information card for entry 7113940

Structure parameters

• Formula: C16 H17 N2 P Se3
• Calculated formula: C16 H17 N2 P Se3
• SMILES: [Se]=P([Se-])([Se-])c1ccccc1.[nH+]1ccccc1.[nH+]1ccccc1
• Title of publication: The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2
• Authors of publication: Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6214
• a: 11.284 ± 0.002 Å
• b: 11.263 ± 0.002 Å
• c: 14.482 ± 0.003 Å
• α: 90°
• β: 92.71 ± 0.007°
• γ: 90°
• Cell volume: 1838.5 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0294
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No