Information card for entry 7707951

Structure parameters

• Formula: C20 H30 Cl5 I2 N
• Calculated formula: C20 H30 Cl5 I2 N
• Title of publication: PhICl₂ is activated by chloride ions.
• Authors of publication: Tania, ?; Poynder, Tiffany B.; Kaur, Aishvaryadeep; Barwise, Lachlan; Houston, Sevan D.; Nair, Akshay J.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11986 - 11991
• a: 9.8786 ± 0.0004 Å
• b: 17.2644 ± 0.0006 Å
• c: 15.6853 ± 0.0006 Å
• α: 90°
• β: 101.359 ± 0.004°
• γ: 90°
• Cell volume: 2622.7 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No