Information card for entry 2102680

Structure parameters

• Formula: C18 H36 Cl Li N2 O10
• Calculated formula: C18 H36 Cl Li N2 O10
• SMILES: [O]12[Li]3456[O](CC2)CCN2CCOCC[O]3CC[N]6(CC1)CC[O]4CC[O]5CC2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Low-temperature enantiotropic <i>k</i>2 phase transition in the ionic 222-cryptand complex with LiClO~4~
• Authors of publication: Guzei, Ilia A.; Lara C. Spencer
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 93 - 100
• a: 10.0273 ± 0.0007 Å
• b: 13.3313 ± 0.0009 Å
• c: 16.8827 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2256.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes