Information card for entry 1575051

Structure parameters

• Formula: C12 H18 N6 O6 S2
• Calculated formula: C12 H18 N6 O6 S2
• Title of publication: Guest removal from ring-banded guanidinium organosulfonate hydrogen-bonded frameworks.
• Authors of publication: Spencer, Rochelle B.; Yusov, Anna; Dillon, Alexandra M.; Tiwari, Akash; Arteaga, Oriol; Sburlati, Sophia; Whittaker, St John; Wu, Wantong; Chen, Sixian; Shtukenberg, Alexander G.; Ward, Michael D.; Kahr, Bart; Lee, Stephanie S.
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 13727 - 13736
• a: 11.359 ± 0.005 Å
• b: 9.285 ± 0.004 Å
• c: 9.048 ± 0.004 Å
• α: 90°
• β: 101.453 ± 0.012°
• γ: 90°
• Cell volume: 935.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.386
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No