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Information card for entry 7036084
Preview
| Coordinates | 7036084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H56 B4 Mn P2 |
|---|---|
| Calculated formula | C48 H56 B4 Mn P2 |
| SMILES | [BH2]1[H][Mn]234([H]1)([H][BH2][H]2)([H][BH2][H]3)[H][BH2][H]4.c1c(cccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials. |
| Authors of publication | Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 45 |
| Pages of publication | 19469 - 19477 |
| a | 11.216 ± 0.003 Å |
| b | 19.919 ± 0.006 Å |
| c | 21.053 ± 0.006 Å |
| α | 90° |
| β | 91.843 ± 0.005° |
| γ | 90° |
| Cell volume | 4701 ± 2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Goodness-of-fit parameter for all reflections | 1.89 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036084.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036084.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036084.cif |
| 171159 | 2015-12-09 | cif/ Updating files of 7036082, 7036083, 7036084 Original log message: Adding full bibliography for 7036082--7036084.cif. |
7036084.cif |
| 152953 | 2015-08-06 | cif/ Adding structures of 7036082, 7036083, 7036084 via cif-deposit CGI script. |
7036084.cif |
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Users of the data should acknowledge the original authors of the
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