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Information card for entry 1534518
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| Coordinates | 1534518.cif |
|---|
| Chemical name | (N (C H3)4)2 (I O2 F2) (H F2) |
|---|---|
| Formula | C8 H25 F4 I N2 O2 |
| Calculated formula | C8 H25 F4 I N2 O2 |
| SMILES | C[N+](C)(C)C.C[N+](C)(C)C.F[I](F)(=O)=O.F[H]F |
| Title of publication | Synthesis, vibrational and NMR spectroscopic characterization of [N (C H3)4] [I O2 F2] and x-ray crystal structure of [N (C H3)4]2 [I O2 F2] [H F2] |
| Authors of publication | Gerken, M.; Mack, J.P.; Schrobilgen, G.J.D.; Suontamo, R.J. |
| Journal of publication | Journal of Fluorine Chemistry |
| Year of publication | 2004 |
| Journal volume | 125 |
| Pages of publication | 1663 - 1670 |
| a | 14.6765 Å |
| b | 8.6049 Å |
| c | 13.9572 Å |
| α | 90° |
| β | 120.204° |
| γ | 90° |
| Cell volume | 1523.35 Å3 |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| 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. |
1534518.cif |
| 161319 | 2015-10-09 | cif/ Adding structures of 1534518 via cif-deposit CGI script. |
1534518.cif |
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Users of the data should acknowledge the original authors of the
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