Information card for entry 2208671

Structure parameters

• Chemical name: (E,E)-1,4-Bis(2-iodophenyl)-2,3-diaza-1,3-butadiene
• Formula: C14 H10 I2 N2
• Calculated formula: C14 H10 I2 N2
• SMILES: Ic1ccccc1/C=N/N=C/c1ccccc1I
• Title of publication: (<i>E</i>,<i>E</i>)-1,4-Bis(2-iodophenyl)-2,3-diaza-1,3-butadiene
• Authors of publication: Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1565 - o1566
• a: 13.2667 ± 0.0004 Å
• b: 4.107 ± 0.0002 Å
• c: 13.8207 ± 0.0004 Å
• α: 90°
• β: 110.314 ± 0.0015°
• γ: 90°
• Cell volume: 706.2 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes