Information card for entry 2242766

Structure parameters

• Chemical name: Bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II)
• Formula: C36 H46 Cd I4 N4
• Calculated formula: C36 H46 Cd I4 N4
• SMILES: I[Cd](I)([I-])[I-].[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1.[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1
• Title of publication: Crystal structures of two stilbazole derivatives: bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate
• Authors of publication: Antony, Priya; Inglebert, S. Antony; Ramaclus, Jerald V.; Sundaram, S. John; Sagayaraj, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1891 - 1894
• a: 21.6649 ± 0.0018 Å
• b: 14.9748 ± 0.0012 Å
• c: 14.9744 ± 0.0011 Å
• α: 90°
• β: 123.621 ± 0.002°
• γ: 90°
• Cell volume: 4045.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes