Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4324245
Preview
| Coordinates | 4324245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al13 Cl15 H98 O61 |
|---|---|
| Calculated formula | Al13 Cl15 O61 |
| Title of publication | A Giant Polyaluminum Species S-Al32 and Two Aluminum Polyoxocations Involving Coordination by Sulfate Ions S-Al32 and S-K-Al13 |
| Authors of publication | Zhong Sun; Hui Wang; Hong-Ge-Er Tong; Shao-Fan Sun |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 559 - 564 |
| a | 13.9123 ± 0.0015 Å |
| b | 23.529 ± 0.003 Å |
| c | 22.395 ± 0.002 Å |
| α | 90° |
| β | 90.407 ± 0.002° |
| γ | 90° |
| Cell volume | 7330.7 ± 1.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288120 (current) | 2023-12-07 | cif/4/32/42/ Corrected multiple data names from entry 4324245 in which the 'll' substring was incorrectly replaced with the 'o24' substring, e.g. '_refine_ls_r_factor_ao27' instead of '_refine_ls_r_factor_all'. |
4324245.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4324245.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4324245.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324245.cif |
| 40950 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324245 via cif-deposit CGI script. |
4324245.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.