Information card for entry 4513110

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene 1,6-diiodoperfluorohexane
• Formula: C18 H10 F12 I2 N2
• Calculated formula: C18 H10 F12 I2 N2
• SMILES: c1cc(ccn1)/C=C/c1ccncc1.C(F)(F)(C(I)(F)F)C(C(C(C(F)(F)I)(F)F)(F)F)(F)F
• 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: 5.3105 ± 0.001 Å
• b: 8.8507 ± 0.0017 Å
• c: 11.98 ± 0.002 Å
• α: 92.264 ± 0.003°
• β: 94.826 ± 0.003°
• γ: 90.157 ± 0.003°
• Cell volume: 560.64 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No