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Information card for entry 7249650
Preview
| Coordinates | 7249650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H3 K N O3 |
|---|---|
| Calculated formula | C5 H3 K N O3 |
| Title of publication | Oxamate-Based Potassium-Organic Assembly With the Uncommon Binodal (6,12)-Coordinated alb Topology |
| Authors of publication | Simosono, Cintia Almeida; Flores, Leonã S.; Simões, Tatiana Renata Gomes; do Pim, Walace Doti; Julve, Miguel; Marinho, Maria Vanda |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 7.2425 ± 0.0002 Å |
| b | 26.0431 ± 0.0009 Å |
| c | 6.4409 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1214.86 ± 0.07 Å3 |
| Cell temperature | 292.92 ± 0.1 K |
| Ambient diffraction temperature | 292.92 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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 |
|---|---|---|---|
| 296149 (current) | 2024-11-29 | cif/ Adding structures of 7249650 via cif-deposit CGI script. |
7249650.cif |
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Users of the data should acknowledge the original authors of the
structural data.