Information card for entry 7121725

Structure parameters

• Common name: pillar[6]pyridinium hexachloride salt hydrate
• Formula: C36 H36 Cl6 N6 O10
• Calculated formula: C36 H36 Cl6 N6 O9.9996
• Title of publication: Pillar[6]pyridinium: a hexagonally shaped molecular box that selectively recognizes multicharged anionic species.
• Authors of publication: Kosiorek, Sandra; Butkiewicz, Helena; Danylyuk, Oksana; Sashuk, Volodymyr
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 49
• Pages of publication: 6316 - 6319
• a: 22.3483 ± 0.0004 Å
• b: 22.3483 ± 0.0004 Å
• c: 8.0031 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3461.61 ± 0.1 ų
• Cell temperature: 100.1 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No