Information card for entry 3500040

Structure parameters

• Common name: hexa(bromomethyl)benzene
• Chemical name: Benzene, 1,2,3,4,5,6-hexakis(bromomethyl)-
• Formula: C12 H12 Br6
• Calculated formula: C12 H12 Br6
• Title of publication: hexa(bromomethyl)benzene
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2019
• a: 16.3767 ± 0.0004 Å
• b: 16.3767 ± 0.0004 Å
• c: 5.3443 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1241.29 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes