Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557099
Preview
| Coordinates | 1557099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C78 H190 Gd2 K2 N6 O21 Si12 |
|---|---|
| Calculated formula | C78 H190 Gd2 K2 N6 O21 Si12 |
| Title of publication | The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions |
| Authors of publication | Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 7 |
| Pages of publication | 2006 - 2014 |
| a | 25.507 ± 0.011 Å |
| b | 18.806 ± 0.008 Å |
| c | 25.726 ± 0.011 Å |
| α | 90° |
| β | 103.21 ± 0.006° |
| γ | 90° |
| Cell volume | 12014 ± 9 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1704 |
| Residual factor for significantly intense reflections | 0.1015 |
| Weighted residual factors for significantly intense reflections | 0.2455 |
| Weighted residual factors for all reflections included in the refinement | 0.2892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557099.cif |
| 257359 | 2020-10-06 | cif/ Updating files of 1557089, 1557090, 1557091, 1557092, 1557093, 1557094, 1557095, 1557096, 1557097, 1557098, 1557099, 1557100, 1557101 Original log message: Adding full bibliography for 1557089--1557101.cif. |
1557099.cif |
| 248891 | 2020-03-05 | cif/ Updating files of 1557089, 1557090, 1557091, 1557092, 1557093, 1557094, 1557095, 1557096, 1557097, 1557098, 1557099, 1557100, 1557101 Original log message: Adding full bibliography for 1557089--1557101.cif. |
1557099.cif |
| 247067 | 2020-01-22 | cif/ Adding structures of 1557089, 1557090, 1557091, 1557092, 1557093, 1557094, 1557095, 1557096, 1557097, 1557098, 1557099, 1557100, 1557101 via cif-deposit CGI script. |
1557099.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.