Information card for entry 2005505

Structure parameters

• Chemical name: Difluorobis(diphenylphosphino)methane disulfide
• Formula: C25 H20 F2 P2 S2
• Calculated formula: C25 H20 F2 P2 S2
• SMILES: P(=S)(C(P(=S)(c1ccccc1)c1ccccc1)(F)F)(c1ccccc1)c1ccccc1
• Title of publication: Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~
• Authors of publication: Jones, P. G.; Bembenek, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2396 - 2399
• a: 9.519 ± 0.003 Å
• b: 11.446 ± 0.004 Å
• c: 11.65 ± 0.004 Å
• α: 108.67 ± 0.03°
• β: 104.86 ± 0.03°
• γ: 94.68 ± 0.03°
• Cell volume: 1143.6 ± 0.7 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 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 all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.0937
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No