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Information card for entry 7241968
Preview
| Coordinates | 7241968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H16 N6 O6 S2 |
|---|---|
| Calculated formula | C8 H16 N6 O6 S2 |
| Title of publication | Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption |
| Authors of publication | Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 1149 - 1157 |
| a | 6.73165 ± 0.00019 Å |
| b | 7.0727 ± 0.0002 Å |
| c | 7.95197 ± 0.00018 Å |
| α | 86.2104 ± 0.0017° |
| β | 72.5954 ± 0.0018° |
| γ | 85.649 ± 0.002° |
| Cell volume | 359.851 ± 0.017 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0382 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241968.cif |
| 262565 | 2021-03-05 | cif/ Updating files of 7241968, 7241969, 7241970, 7241971, 7241972, 7241973, 7241974, 7241975 Original log message: Adding full bibliography for 7241968--7241975.cif. |
7241968.cif |
| 260132 | 2020-12-24 | cif/ Adding structures of 7241968, 7241969, 7241970, 7241971, 7241972, 7241973, 7241974, 7241975 via cif-deposit CGI script. |
7241968.cif |
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Users of the data should acknowledge the original authors of the
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