Information card for entry 7227262

Structure parameters

• Formula: C7 H7 Br0.5 Cl0.5 O
• Calculated formula: C7 H7 Br0.5 Cl0.5 O
• Title of publication: How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols
• Authors of publication: Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 653
• a: 5.9892 ± 0.0006 Å
• b: 4.9395 ± 0.0005 Å
• c: 12.0858 ± 0.0012 Å
• α: 90°
• β: 102.59 ± 0.01°
• γ: 90°
• Cell volume: 348.94 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No