Information card for entry 2001900

Structure parameters

• Chemical name: 2,5-diiodo-1,2,4,5-tetraphospha-3,6,7-trithiabicyclo[2.2.1]heptane
• Formula: I2 P4 S3
• Calculated formula: I2 P4 S3
• SMILES: IP1P2SP(I)P(S1)S2
• Title of publication: Redetermination of the structure of α-tetraphosphorus trisulfide diiodide at 180 K
• Authors of publication: Tattershall, B. W.; Kendall, N. L.; McCamley, A.; Clegg, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 571 - 573
• a: 7.268 ± 0.004 Å
• b: 7.342 ± 0.004 Å
• c: 19.553 ± 0.011 Å
• α: 94.43 ± 0.06°
• β: 90.31 ± 0.06°
• γ: 90.9 ± 0.06°
• Cell volume: 1040.1 ± 1 ų
• Cell temperature: 180 ± 0.5 K
• Ambient diffraction temperature: 180 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.1112
• Goodness-of-fit parameter for all reflections: 1.238
• Goodness-of-fit parameter for significantly intense reflections: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No