Information card for entry 2004024

Structure parameters

• Common name: bromodichloromethylphenylmercury
• Formula: C7 H5 Br Cl2 Hg
• Calculated formula: C7 H5 Br1.002 Cl1.998 Hg
• Title of publication: (Bromodichloromethyl)phenylmercury
• Authors of publication: Bachman, R. E.; Maughon, B. R.; McCord, D. J.; Whitmire, K. H.; Billups, W. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2033 - 2035
• a: 9.426 ± 0.002 Å
• b: 17.744 ± 0.004 Å
• c: 12.137 ± 0.002 Å
• α: 90°
• β: 102.04 ± 0.03°
• γ: 90°
• Cell volume: 1985.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.0738
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No