Information card for entry 7017117

Structure parameters

• Formula: C17 H15 F12 N5 P2
• Calculated formula: C17 H15 F12 N5 P2
• Title of publication: Chloride anion triggered motion in a bis-imidazolium rotaxane.
• Authors of publication: Serpell, Christopher J.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12052 - 12055
• a: 8.1846 ± 0.0002 Å
• b: 15.6823 ± 0.0004 Å
• c: 18.6804 ± 0.0006 Å
• α: 106.159 ± 0.0012°
• β: 101.041 ± 0.0011°
• γ: 91.8678 ± 0.0013°
• Cell volume: 2250.93 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0797
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No