Information card for entry 2217315

Structure parameters

• Chemical name: Bis[(<i>E</i>)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium tetraiodidozincate(II) methanol solvate
• Formula: C39 H40 I4 N2 O5 Zn
• Calculated formula: C39 H40 I4 N2 O5 Zn
• SMILES: [Zn](I)(I)([I-])[I-].Oc1cc(\C=C/c2[n+](c3ccccc3cc2)C)ccc1OC.Oc1cc(/C=C\c2[n+](c3ccccc3cc2)C)ccc1OC.OC
• Title of publication: Bis[(<i>E</i>)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium tetraiodidozincate(II) methanol solvate
• Authors of publication: Suchada Chantrapromma; Hoong-Kun Fun; Kullapa Chanawanno; Pumsak Ruanwas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m126 - m127
• a: 8.6449 ± 0.0001 Å
• b: 23.4312 ± 0.0004 Å
• c: 19.7763 ± 0.0003 Å
• α: 90°
• β: 91.724 ± 0.001°
• γ: 90°
• Cell volume: 4004.08 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes