Information card for entry 2004691

Structure parameters

• Chemical name: Bisdiphenylphosphino methane disulfide
• Formula: C25 H22 P2 S2
• Calculated formula: C25 H22 P2 S2
• SMILES: P(=S)(CP(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(diphenylphosphino)methane Disulfide
• Authors of publication: Carmalt, C. J.; Cowley, A. H.; Decken, A.; Lawson, Y. G.; Norman, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 931 - 933
• a: 9.527 ± 0.001 Å
• b: 10.731 ± 0.001 Å
• c: 22.525 ± 0.002 Å
• α: 90°
• β: 99.63 ± 0.01°
• γ: 90°
• Cell volume: 2270.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.0927
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No