Information card for entry 4513108

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene 1,2,4,5-tetrafluoro-3,6-diiodobenzene
• Formula: C16 H8 F4 I2 N4
• Calculated formula: C16 H8 F4 I2 N4
• SMILES: c1(I)c(c(c(c(c1F)F)I)F)F.c1cc(ccn1)/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: 6.414 ± 0.004 Å
• b: 8.358 ± 0.005 Å
• c: 9.202 ± 0.006 Å
• α: 82.982 ± 0.009°
• β: 70.979 ± 0.009°
• γ: 78.678 ± 0.009°
• Cell volume: 456.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No