Information card for entry 1574565

Structure parameters

• Formula: C14 H24 N6 O7 S2
• Calculated formula: C14 H24 N6 O7 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: 7.294 ± 0.0003 Å
• b: 7.2975 ± 0.0003 Å
• c: 11.5957 ± 0.0005 Å
• α: 100.092 ± 0.0015°
• β: 95.3125 ± 0.0014°
• γ: 118.993 ± 0.0013°
• Cell volume: 520.1 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No