Information card for entry 8102316

Structure parameters

• Formula: C20 H14 Br N2 O4
• Calculated formula: C20 H14 Br N2 O4
• Title of publication: Crystal structure of 1,2-bis(4-pyridyl)ethylene - 2-bromo-1,4-benzenedicarboxylic acid (1:1), C12H10N2 · C8H4O4Br
• Authors of publication: Feng-Xia Yang; Xiao-Dong Li; Guang-Ri Xu; Chen Qian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 297
• a: 7.0531 ± 0.0017 Å
• b: 9.941 ± 0.002 Å
• c: 13.858 ± 0.003 Å
• α: 91.705 ± 0.003°
• β: 100.577 ± 0.003°
• γ: 109.154 ± 0.003°
• Cell volume: 898 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No