Information card for entry 7242183

Structure parameters

• Formula: C8 H24 N10 O8 S2
• Calculated formula: C7.9998 H24 N10.0002 O8 S2
• Title of publication: Guanidinium sulfates as directors of noncentrosymmetric structures
• Authors of publication: Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1643 - 1656
• a: 10.0469 ± 0.001 Å
• b: 10.0469 ± 0.001 Å
• c: 17.318 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1513.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No