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Information card for entry 1528156
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| Coordinates | 1528156.cif |
|---|
| Chemical name | Na2 Fe (C N)5 N H3 (H2 O)2 |
|---|---|
| Formula | C5 H7 Fe N6 Na2 O2 |
| Calculated formula | C5 H7 Fe N6 Na2 O2 |
| SMILES | C(#N)[Fe](C#N)(C#N)([NH3])(C#N)C#N.O.O.[Na+].[Na+] |
| Title of publication | The crystal structure of Na2 Fe (C N)5 N H3 (H2 O)2 |
| Authors of publication | Tullberg, A.; Vannerberg, N.G. |
| Journal of publication | Acta Chemica Scandinavica (1-27,1973-42,1988) |
| Year of publication | 1972 |
| Journal volume | 26 |
| Pages of publication | 3382 - 3383 |
| a | 6.1 Å |
| b | 11.9 Å |
| c | 15.5 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1125.15 Å3 |
| Number of distinct elements | 6 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186594 (current) | 2016-09-16 | cif/1/ Adding attached hydrogens to N and O atoms. |
1528156.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. |
1528156.cif |
| 150101 | 2015-07-13 | cif/ Adding structures of 1528156 via cif-deposit CGI script. |
1528156.cif |
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Users of the data should acknowledge the original authors of the
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