Information card for entry 4513102

Structure parameters

• Chemical name: (E)-1,2-di(pyridine-4-yl)diazene Iodine
• Formula: C10 H8 I4 N4
• Calculated formula: C10 H8 I4 N4
• SMILES: c1[n]([I]I)ccc(c1)/N=N/c1ccncc1.II
• 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: 6.589 ± 0.003 Å
• b: 7.514 ± 0.003 Å
• c: 9.181 ± 0.004 Å
• α: 66.435 ± 0.005°
• β: 82.25 ± 0.006°
• γ: 79.808 ± 0.006°
• Cell volume: 409 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No