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Information card for entry 1557097
Preview
| Coordinates | 1557097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H102 Gd K N3 O12 Si6 |
|---|---|
| Calculated formula | C42 H102 Gd K N3 O12 Si6 |
| SMILES | C[Si](C)(N([Gd](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C.[K]12345([O]6CCOCCOCCOCCOCC[O]1CC6)[O]1CC[O]5CC[O]4CC[O]3CC[O]2CCOCC1 |
| 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 | 11.1493 ± 0.0011 Å |
| b | 27.059 ± 0.003 Å |
| c | 21.755 ± 0.002 Å |
| α | 90° |
| β | 104.007 ± 0.0013° |
| γ | 90° |
| Cell volume | 6368.1 ± 1.1 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| 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. |
1557097.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. |
1557097.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. |
1557097.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. |
1557097.cif |
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Users of the data should acknowledge the original authors of the
structural data.