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Information card for entry 1529359
Preview
| Coordinates | 1529359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H6 Mn N4 O4 |
|---|---|
| Calculated formula | C3 H6 Mn N4 O4 |
| 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 | 8.1472 ± 0.0006 Å |
| b | 9.9846 ± 0.0007 Å |
| c | 9.3679 ± 0.0006 Å |
| α | 90° |
| β | 113.994 ± 0.004° |
| γ | 90° |
| Cell volume | 696.2 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0474 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152928 (current) | 2015-08-05 | cif/ Adding structures of 1529359 via cif-deposit CGI script. |
1529359.cif |
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Users of the data should acknowledge the original authors of the
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