Information card for entry 7209506

Structure parameters

• Formula: C17 H34 Cl I N2 O
• Calculated formula: C17 H34 Cl I N2 O
• Title of publication: Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes
• Authors of publication: Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3076
• a: 8.8992 ± 0.0005 Å
• b: 9.1246 ± 0.0005 Å
• c: 14.513 ± 0.0008 Å
• α: 108.091 ± 0.005°
• β: 93.709 ± 0.004°
• γ: 106.155 ± 0.004°
• Cell volume: 1061.15 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0779
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No