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Information card for entry 1527717
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| Coordinates | 1527717.cif |
|---|
| Chemical name | Ba Ni (C N)4 (H2 O)4 |
|---|---|
| Formula | C4 H8 Ba N4 Ni O4 |
| Calculated formula | C4 H8 Ba N4 Ni O4 |
| SMILES | C(#N)[Ni](C#N)(C#N)C#N.O.O.[Ba+2].O.O |
| Title of publication | The crystal structure of barium tetracyanonickelate(II) tetrahydrate |
| Authors of publication | Larsen, F.K.; Hazell, R.G.; Rasmussen, S.E. |
| Journal of publication | Acta Chemica Scandinavica (1-27,1973-42,1988) |
| Year of publication | 1969 |
| Journal volume | 23 |
| Pages of publication | 61 - 69 |
| a | 12.076 Å |
| b | 13.61 Å |
| c | 6.728 Å |
| α | 90° |
| β | 107.9° |
| γ | 90° |
| Cell volume | 1052.25 Å3 |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186638 (current) | 2016-09-18 | cif/1/ (antanas@kurmis) Adding attached hydrogens to O atoms. |
1527717.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. |
1527717.cif |
| 149426 | 2015-07-13 | cif/ Adding structures of 1527717 via cif-deposit CGI script. |
1527717.cif |
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Users of the data should acknowledge the original authors of the
structural data.