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Information card for entry 3500078
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| Coordinates | 3500078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate |
|---|---|
| Formula | C10 H36 Al2 F10 N4 O4 |
| Calculated formula | C10 H36 Al2 F10 N4 O4 |
| Title of publication | 1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate |
| Authors of publication | Goreshnik, E.; Leblanc, M.; Maisonneuve, V. |
| Journal of publication | Acta Crystallographica, Section E: Structure Reports Online |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 11 |
| Pages of publication | 1059 - 1061 |
| a | 8.493 ± 0.0008 Å |
| b | 8.932 ± 0.001 Å |
| c | 13.434 ± 0.002 Å |
| α | 90° |
| β | 97.141 ± 0.008° |
| γ | 90° |
| Cell volume | 1011.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1639 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1100118 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297522 (current) | 2025-01-29 | Updated the '_cell_length_a' and '_cell_volume' data values. Added an explanatory comment and a note level issue that describe the accidental origin of this entry. |
3500078.cif |
| 297521 | 2025-01-29 | Updated bibliographic and space group information in entries 1100118, 2202619, 3500078. |
3500078.cif |
| 217562 | 2019-08-16 | cif/ Updating files of 3500078 Original log message: Connor Shu, listed in the author list, has nothing to do with the structure. He took the first CIF he found from the Browse link on crystallography.net and deposited it with the sole reason of testing that the deposition interface still works with PHP7.2. This update reflects that by adding the _cod_duplicate_entry tag. |
3500078.cif |
| 217561 | 2019-08-16 | cif/ Adding structures of 3500078 via cif-deposit CGI script. |
3500078.cif |
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