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Information card for entry 1529357
Preview
| Coordinates | 1529357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H14 Mn N8 O8 |
|---|---|
| Calculated formula | C6 H14 Mn N8 O8 |
| Title of publication | Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials. |
| Authors of publication | Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2015 |
| Journal volume | 20 |
| Journal issue | 7 |
| Pages of publication | 12341 - 12363 |
| a | 5.2482 ± 0.0009 Å |
| b | 6.533 ± 0.0011 Å |
| c | 10.6128 ± 0.0018 Å |
| α | 90.532 ± 0.01° |
| β | 102.774 ± 0.011° |
| γ | 109.139 ± 0.01° |
| Cell volume | 333.93 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529357.cif |
| 152926 | 2015-08-05 | cif/ Adding structures of 1529357 via cif-deposit CGI script. |
1529357.cif |
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Users of the data should acknowledge the original authors of the
structural data.