Information card for entry 2021788

Structure parameters

• Chemical name: Phenylselenium trichloride
• Formula: C6 H5 Cl3 Se
• Calculated formula: C6 H5 Cl3 Se
• Title of publication: A new polymorph of phenylselenium trichloride
• Authors of publication: Bloomfield, Hannah R.; Ritch, Jamie S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• a: 8.6245 ± 0.0003 Å
• b: 9.5342 ± 0.0004 Å
• c: 11.7229 ± 0.0005 Å
• α: 78.332 ± 0.002°
• β: 77.789 ± 0.002°
• γ: 66.341 ± 0.002°
• Cell volume: 855.5 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0484
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No