Information card for entry 2013646

Structure parameters

• Common name: (18-crown-6)potassium pentaiodide
• Chemical name: (1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium pentaiodide
• Formula: C12 H24 I5 K O6
• Calculated formula: C12 H24 I5 K O6
• SMILES: [I-]([I]I)[I]I.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Isolated pentaiodide anions in [K(18-crown-6)]I~5~
• Authors of publication: Pantenburg, Ingo; Müller, Ingrid
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m427 - m428
• a: 19.9194 ± 0.0017 Å
• b: 8.6554 ± 0.0007 Å
• c: 14.6049 ± 0.0014 Å
• α: 90°
• β: 91.208 ± 0.007°
• γ: 90°
• Cell volume: 2517.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes