Information card for entry 2022430

Structure parameters

• Chemical name: 4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetrayl)tetrapyridinium bis(sulfate) octahydrate
• Formula: C24 H40 N4 O16 S2
• Calculated formula: C24 H40 N4 O16 S2
• Title of publication: Square network based upon the molecular salt of the tetraprotonated photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane and the sulfate anion
• Authors of publication: Santana, Carlos L.; Reinheimer, Eric W.; Groeneman, Ryan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 9.7415 ± 0.0006 Å
• b: 16.3378 ± 0.0008 Å
• c: 9.6396 ± 0.0005 Å
• α: 90°
• β: 91.68 ± 0.002°
• γ: 90°
• Cell volume: 1533.53 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0887
• 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