Information card for entry 2102930

Structure parameters

• Formula: C4 Br4 Se
• Calculated formula: C4 Br4 Se
• SMILES: c1(c(c(c([se]1)Br)Br)Br)Br
• Title of publication: Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
• Authors of publication: Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: 783 - 790
• a: 14.86453 ± 0.00004 Å
• b: 4.078983 ± 0.000016 Å
• c: 13.90429 ± 0.00007 Å
• α: 90°
• β: 96.3502 ± 0.0004°
• γ: 90°
• Cell volume: 837.875 ± 0.006 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.63
• Diffraction radiation wavelength: 1.25007 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No