Information card for entry 2240224

Structure parameters

• Common name: Bis[2-(diphenylphosphinothioyl)phenyl] ether
• Chemical name: {2-[2-(Diphenylphosphinothioyl)phenoxy]phenyl}diphenylphosphanethione
• Formula: C36 H28 O P2 S2
• Calculated formula: C36 H28 O P2 S2
• SMILES: S=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=S)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether
• Authors of publication: Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 536 - 540
• a: 14.1161 ± 0.0009 Å
• b: 18.0874 ± 0.0012 Å
• c: 23.1986 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5923.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes