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Information card for entry 3000220
Preview
| Coordinates | 3000220.cif |
|---|---|
| Structure factors | 3000220.hkl |
| Original paper (by DOI) | HTML |
| Formula | C6 H9 N5 O |
|---|---|
| Calculated formula | C6 H9 N5 O |
| Title of publication | Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand |
| Authors of publication | Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez |
| Journal of publication | Journal of Inorganic Biochemistry |
| Year of publication | 2020 |
| Journal volume | 212 |
| Pages of publication | 111235 |
| a | 14.3058 ± 0.0009 Å |
| b | 7.1686 ± 0.0004 Å |
| c | 30.771 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3155.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274292 (current) | 2022-04-04 | cif/ hkl/ Updating files of 3000220 Original log message: Releasing structure 3000220 into public domain as published material. |
3000220.cif 3000220.hkl |
| 213319 | 2019-01-25 | cif/ hkl/ Adding structures of 3000220 via cif-deposit CGI script. |
3000220.cif |
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Users of the data should acknowledge the original authors of the
structural data.