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Information card for entry 1547768
Preview
| Coordinates | 1547768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C105 H31 Al2 F62 Li N6 |
|---|---|
| Calculated formula | C105 H31 Al2 F62 Li N6 |
| SMILES | [Al](N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(N(c1c([F]2)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(N(c1c([F]3)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[F][Li]1234[F][Al](N(c2c([F]1)c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)(N(c1c([F]4)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1ccc(C)cc1 |
| Title of publication | The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>. |
| Authors of publication | Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 245 - 253 |
| a | 14.4989 ± 0.0014 Å |
| b | 18.051 ± 0.002 Å |
| c | 21.909 ± 0.002 Å |
| α | 84.427 ± 0.013° |
| β | 73.249 ± 0.012° |
| γ | 67.033 ± 0.012° |
| Cell volume | 5054.7 ± 1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1244 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.793 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276343 (current) | 2022-06-28 | cif/1/54/77/ Removed the '_chemical_name_systematic' data item that had an incorrect value from entries 1547767-1547771. |
1547768.cif |
| 228672 | 2019-11-17 | cif/ Updating files of 1547767, 1547768, 1547769, 1547770, 1547771 Original log message: Adding full bibliography for 1547767--1547771.cif. |
1547768.cif |
| 202258 | 2017-10-24 | cif/ Adding structures of 1547767, 1547768, 1547769, 1547770, 1547771 via cif-deposit CGI script. |
1547768.cif |
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Users of the data should acknowledge the original authors of the
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