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Information card for entry 4031462
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| Coordinates | 4031462.cif |
|---|
| Chemical name | (Na ((N H3) B H2 (C N))6) I |
|---|---|
| Formula | C6 H30 B6 I N12 Na |
| Calculated formula | C6 H30 B6 I N12 Na |
| SMILES | [BH2]([NH3])C#N.[Na+].N#C[BH2][NH3].N#C[BH2][NH3].N#C[BH2][NH3].N#C[BH2][NH3].[I-].[BH2](C#N)[NH3] |
| Title of publication | Synthesis and crystal structure of hexakis(ammonia-cyanoborane) sodium iodide |
| Authors of publication | Hargrave, K.D.; Wisian-Neilson, P.; McPhail, A.T.; Spielvogel, B.F. |
| Journal of publication | Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) |
| Year of publication | 1977 |
| Journal volume | 1977 |
| Pages of publication | 2150 - 2153 |
| a | 8.506 Å |
| b | 8.506 Å |
| c | 8.506 Å |
| α | 82.54° |
| β | 82.54° |
| γ | 82.54° |
| Cell volume | 601.044 Å3 |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :R |
| Hall space group symbol | -P 3* |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 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. |
4031462.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. |
4031462.cif |
| 155025 | 2015-09-06 | cif/ Adding structures of 4031462 via cif-deposit CGI script. |
4031462.cif |
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Users of the data should acknowledge the original authors of the
structural data.