Information card for entry 4513105

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene 1,2,4,5-tetrafluoro-3,6-dibromdobenzene
• Formula: C16 H8 Br2 F4 N4
• Calculated formula: C16 H8 Br2 F4 N4
• Title of publication: Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions
• Authors of publication: Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2389
• a: 15.236 ± 0.006 Å
• b: 5.0195 ± 0.0016 Å
• c: 11.782 ± 0.004 Å
• α: 90°
• β: 112.679 ± 0.005°
• γ: 90°
• Cell volume: 831.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No