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Information card for entry 7242408
Preview
| Coordinates | 7242408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Ba N2 O10 S2 |
|---|---|
| Calculated formula | C16 H14 Ba N2 O10 S2 |
| Title of publication | Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes |
| Authors of publication | Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 18 |
| Pages of publication | 10767 - 10776 |
| a | 15.8633 ± 0.0018 Å |
| b | 17.2055 ± 0.0019 Å |
| c | 8.9423 ± 0.0011 Å |
| α | 90° |
| β | 100.403 ± 0.008° |
| γ | 90° |
| Cell volume | 2400.6 ± 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 | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263022 (current) | 2021-03-13 | cif/ Adding structures of 7242406, 7242407, 7242408 via cif-deposit CGI script. |
7242408.cif |
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Users of the data should acknowledge the original authors of the
structural data.