Information card for entry 2207297

Structure parameters

• Chemical name: N,N'-Bis(3-iodophenyl)ethylenediimine
• Formula: C14 H10 I2 N2
• Calculated formula: C14 H10 I2 N2
• SMILES: Ic1cccc(c1)/N=C/C=N/c1cccc(c1)I
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-iodophenyl)ethylenediimine
• Authors of publication: Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3773 - o3774
• a: 16.262 ± 0.004 Å
• b: 4.7074 ± 0.0011 Å
• c: 18.708 ± 0.004 Å
• α: 90°
• β: 98.829 ± 0.004°
• γ: 90°
• Cell volume: 1415.2 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes