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Information card for entry 7250412
Preview
| Coordinates | 7250412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H19 N6 Na3 O14 S3 |
|---|---|
| Calculated formula | C8 H15 N6 Na3 O14 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 | 12.8318 ± 0.0009 Å |
| b | 12.185 ± 0.0009 Å |
| c | 25.4468 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3978.7 ± 0.5 Å3 |
| Cell temperature | 296.15 ± 0.02 K |
| Ambient diffraction temperature | 296.15 ± 0.02 K |
| Number of distinct elements | 6 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299710 (current) | 2025-05-17 | cif/ Adding structures of 7250411, 7250412, 7250413 via cif-deposit CGI script. |
7250412.cif |
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Users of the data should acknowledge the original authors of the
structural data.