Information card for entry 4513109

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene 1,4-diiodotetrafluorobenzene
• Formula: C16 H12 I2 N4
• Calculated formula: C16 H12 I2 N4
• SMILES: c1(ccc(cc1)I)I.c1cnccc1/N=N/c1ccncc1
• 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: 10.05 ± 0.02 Å
• b: 9.71 ± 0.02 Å
• c: 9 ± 0.02 Å
• α: 90°
• β: 100.22 ± 0.04°
• γ: 90°
• Cell volume: 864 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No