Information card for entry 2102681

Structure parameters

• Formula: C18 H36 Cl Li N2 O10
• Calculated formula: C18 H36 Cl Li N2 O10
• 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: 10.0791 ± 0.0005 Å
• b: 13.3799 ± 0.0006 Å
• c: 17.0272 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.24 ± 0.19 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: 0.0318
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes