Information card for entry 7113938

Structure parameters

• Formula: C32 H32 N4 P2 Se6
• Calculated formula: C32 H32 N4 P2 Se6
• SMILES: [Se]=P([Se-])([Se][Se]P(=[Se])([Se-])c1ccccc1)c1ccccc1.[nH+]1ccccc1.[nH+]1ccccc1.n1ccccc1.n1ccccc1
• 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: 9.422 ± 0.003 Å
• b: 9.57 ± 0.003 Å
• c: 21.6 ± 0.006 Å
• α: 94.891 ± 0.008°
• β: 94.728 ± 0.011°
• γ: 106.893 ± 0.009°
• Cell volume: 1845 ± 1 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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 significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No