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Information card for entry 7250411
Preview
| Coordinates | 7250411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H38 N24 O16 S3 |
|---|---|
| Calculated formula | C18 H38 N24 O16 S3 |
| Title of publication | Influence of organic and alkali metal cations over crystal lattice of benzenetrihydroxy trisulfonate ligand |
| Authors of publication | Tiwari, Ranjay K.; Bhatt, Jitendra; Behera, Jogendra Nath |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 16.8237 ± 0.0006 Å |
| b | 12.2192 ± 0.0004 Å |
| c | 18.3904 ± 0.0007 Å |
| α | 90° |
| β | 106.431 ± 0.002° |
| γ | 90° |
| Cell volume | 3626.2 ± 0.2 Å3 |
| Cell temperature | 296.15 ± 0.03 K |
| Ambient diffraction temperature | 296.15 ± 0.03 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299710 (current) | 2025-05-17 | cif/ Adding structures of 7250411, 7250412, 7250413 via cif-deposit CGI script. |
7250411.cif |
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Users of the data should acknowledge the original authors of the
structural data.