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Information card for entry 7046930
Preview
| Coordinates | 7046930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H8 N2 O6 |
|---|---|
| Calculated formula | C6 H8 N2 O6 |
| Title of publication | Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers. |
| Authors of publication | Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 30 |
| Pages of publication | 10071 - 10079 |
| a | 6.9599 ± 0.0006 Å |
| b | 7.1381 ± 0.0004 Å |
| c | 9.3226 ± 0.0006 Å |
| α | 92.721 ± 0.007° |
| β | 105.178 ± 0.007° |
| γ | 110.866 ± 0.008° |
| Cell volume | 412.56 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046930.cif |
| 229813 | 2019-11-17 | cif/ Updating files of 7046929, 7046930, 7046931, 7046932, 7046933, 7046934 Original log message: Adding full bibliography for 7046929--7046934.cif. |
7046930.cif |
| 208838 | 2018-07-05 | cif/ Adding structures of 7046929, 7046930, 7046931, 7046932, 7046933, 7046934 via cif-deposit CGI script. |
7046930.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.