Information card for entry 2238606

Structure parameters

• Chemical name: Bis((<i>E</i>)-2-{3-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)styryl]-5,5-dimethylcyclohex-2-enylidene}malononitrile)diiodidomercury(II)
• Formula: C44 H40 Hg I2 N8
• Calculated formula: C44 H40 Hg I2 N8
• SMILES: I[Hg](I)([n]1ccn(c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)c1)[n]1ccn(c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)c1
• Title of publication: Bis((<i>E</i>)-2-{3-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)styryl]-5,5-dimethylcyclohex-2-enylidene}malononitrile)diiodidomercury(II)
• Authors of publication: Xi, Wen-Gang; Wu, Zhi-Chao; Zhou, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m548
• a: 18.768 ± 0.003 Å
• b: 6.489 ± 0.0009 Å
• c: 18.681 ± 0.003 Å
• α: 90°
• β: 103.896 ± 0.01°
• γ: 90°
• Cell volume: 2208.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No