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Information card for entry 4303347
Preview
| Coordinates | 4303347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | manganesetetrazol-5-carboxylate |
|---|---|
| Formula | C4 H20 Mn2 N8 O14 |
| Calculated formula | C4 H20 Mn2 N8 O14 |
| SMILES | n12[Mn]3([OH2])([OH2])([OH2])[n]4n5c(nn4)C(=O)O[Mn]5([n]2nnc1C(=O)O3)([OH2])([OH2])[OH2].O.O.O.O |
| Title of publication | Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations |
| Authors of publication | Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 9549 - 9556 |
| a | 7.3516 ± 0.0005 Å |
| b | 12.9931 ± 0.0009 Å |
| c | 19.8142 ± 0.0016 Å |
| α | 90° |
| β | 100.351 ± 0.005° |
| γ | 90° |
| Cell volume | 1861.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4303347.cif |
| 179071 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/33. |
4303347.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303347.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303347.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303347.cif |
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