Information card for entry 4509942

Structure parameters

• Formula: C8 H2 Br4 O4
• Calculated formula: C8 H2 Br4 O4
• SMILES: c1(c(C(=O)O)c(c(c(c1Br)C(=O)O)Br)Br)Br
• Title of publication: Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
• Authors of publication: Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 207
• a: 8.0299 ± 0.0009 Å
• b: 10.3117 ± 0.0011 Å
• c: 7.0948 ± 0.0008 Å
• α: 90°
• β: 99.5592 ± 0.0011°
• γ: 90°
• Cell volume: 579.31 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• RFsqd: 0.03379
• Goodness-of-fit parameter for all reflections: 2.16
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No