Information card for entry 2238635

Structure parameters

• Chemical name: Bis((<i>E</i>)-2-{5,5-dimethyl-3-[4-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)styryl]cyclohex-2-enylidene}malononitrile)diiodidomercury(II)
• Formula: C42 H38 Hg I2 N10
• Calculated formula: C42 H38 Hg I2 N10
• SMILES: I[Hg]([n]1cn(nc1)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1)(I)[n]1cn(nc1)c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1
• Title of publication: Bis((<i>E</i>)-2-{5,5-dimethyl-3-[4-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)styryl]cyclohex-2-enylidene}malononitrile)diiodidomercury(II)
• Authors of publication: Wang, Lian-Ke; Zhu, Wei-Ju; Zhou, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m556 - m557
• a: 38.9622 ± 0.0016 Å
• b: 5.5684 ± 0.0012 Å
• c: 21.9564 ± 0.0014 Å
• α: 90°
• β: 117.738 ± 0.002°
• γ: 90°
• Cell volume: 4216.2 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No