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Information card for entry 7217286
Preview
| Coordinates | 7217286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Na(thf)2-Aletbat |
|---|---|
| Formula | C68 H104 Al Na O6 |
| Calculated formula | C68 H104 Al Na O6 |
| SMILES | [Al]123[O]([Na]([O]4CCCC4)([O]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)CCc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)[O]1CCCC1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)CCc1c(O2)c(C(C)(C)C)cc(c1)C(C)(C)C |
| Title of publication | Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions |
| Authors of publication | Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F. |
| Journal of publication | Green Chem. |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 11 |
| Pages of publication | 4696 |
| a | 11.081 ± 0.002 Å |
| b | 23.961 ± 0.006 Å |
| c | 24.439 ± 0.006 Å |
| α | 90° |
| β | 101.533 ± 0.007° |
| γ | 90° |
| Cell volume | 6358 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1865 |
| Residual factor for significantly intense reflections | 0.1312 |
| Weighted residual factors for significantly intense reflections | 0.3141 |
| Weighted residual factors for all reflections included in the refinement | 0.3504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180503 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72. |
7217286.cif |
| 126506 | 2014-11-06 | cif/ Updating files of 7217280, 7217281, 7217282, 7217283, 7217284, 7217285, 7217286, 7217287, 7217288, 7217289, 7217290, 7217291 Original log message: Adding full bibliography for 7217280--7217291.cif. |
7217286.cif |
| 121051 | 2014-08-01 | cif/ Adding structures of 7217280, 7217281, 7217282, 7217283, 7217284, 7217285, 7217286, 7217287, 7217288, 7217289, 7217290, 7217291 via cif-deposit CGI script. |
7217286.cif |
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Users of the data should acknowledge the original authors of the
structural data.