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Information card for entry 1575051
Preview
| Coordinates | 1575051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300371 (current) | 2025-07-05 | cif/ Adding structures of 1575051 via cif-deposit CGI script. |
1575051.cif |
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Users of the data should acknowledge the original authors of the
structural data.