Information card for entry 2202987

Structure parameters

• Chemical name: 3,3'-(1,4-Naphthalenedimethylene)bis(1-ethylimidazolium) diiodide methanol solvate
• Formula: C23 H30 I2 N4 O
• Calculated formula: C23 H30 I2 N4 O
• SMILES: [I-].[I-].n1(CC)cc[n+](c1)Cc1c2ccccc2c(cc1)Cn1cc[n+](c1)CC.CO
• Title of publication: 3,3'-(1,4-Naphthalenedimethylene)bis(1-ethylimidazolium) diiodide methanol solvate
• Authors of publication: Zou, Ru-Yi; Xu, Feng-Bo; Li, Qing-Shan; Zhang, Zheng-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1451 - o1452
• a: 9.959 ± 0.005 Å
• b: 10.77 ± 0.005 Å
• c: 13.407 ± 0.007 Å
• α: 98.34 ± 0.011°
• β: 104.132 ± 0.012°
• γ: 105.691 ± 0.012°
• Cell volume: 1307.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes