Information card for entry 7038830

Structure parameters

• Formula: C20 H12 P2 S4
• Calculated formula: C20 H12 P2 S4
• SMILES: c12cccc3cccc(SP(S1)P1Sc4cccc5cccc(S1)c45)c23
• Title of publication: Diphosphane 2,2'-binaphtho[1,8-de][1,3,2]dithiaphosphinine and the easy formation of a stable phosphorus radical cation.
• Authors of publication: Kirst, Christin; Bode, Bela E.; Cordes, David B.; Nejman, Phillip S.; Slawin, Alexandra M. Z.; Karaghiosoff, Konstantin; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6348 - 6351
• a: 7.5926 ± 0.0008 Å
• b: 7.7769 ± 0.0011 Å
• c: 9.5253 ± 0.0019 Å
• α: 100.33 ± 0.018°
• β: 112.832 ± 0.012°
• γ: 105.952 ± 0.016°
• Cell volume: 471.75 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No