Information card for entry 2018020

Structure parameters

• Common name: bis[<i>P</i>,<i>P</i>-di-<i>tert</i>-butyl-<i>N</i>-(di-<i>tert</i>- butylphosphorothioyl)phosphinimidothioato-κ<i>S</i>]sulfur(II) toluene solvate
• Chemical name: 5,13-dibutyl-7,7,11,11-tetramethyl-8,9,10-trithia-6,12-diaza-5λ^5^,7λ^5^- diphospha-11λ^5^-phospha-13λ^5^-phosphaheptadeca-6,11-diene-5,13-dithione toluene solvate
• Formula: C39 H80 N2 P4 S5
• Calculated formula: C39 H80 N2 P4 S5
• Title of publication: A sulfur(II) complex of a dithioimidodiphosphinate
• Authors of publication: Ritch, Jamie S.; Chivers, Tristram
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o89 - o91
• a: 22.271 ± 0.005 Å
• b: 18.97 ± 0.004 Å
• c: 15.61 ± 0.003 Å
• α: 90°
• β: 132.79 ± 0.03°
• γ: 90°
• Cell volume: 4840 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes