Information card for entry 2202605

Structure parameters

• Formula: C12 H8 I2 N2 O
• Calculated formula: C12 H8 I2 N2 O
• Title of publication: <i>N,N</i>'-Bis(4-iodophenyl)diazene <i>N</i>-oxide
• Authors of publication: Krivokapić, Alexander; Wilson, Craig J.; Watkin, David J.; Anderson, Harry L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1022 - o1024
• a: 6.0119 ± 0.0001 Å
• b: 7.2082 ± 0.0002 Å
• c: 59.0233 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2557.77 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I 2 c b
• Hall space group symbol: I -2a 2
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes