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Information card for entry 1505765
Preview
| Coordinates | 1505765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H7 Er F18 O8 |
|---|---|
| Calculated formula | C15 H7 Er F18 O8 |
| SMILES | C1(=CC(C(F)(F)F)=[O][Er]23(O1)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O3)C(F)(F)F)([OH2])[OH2])C(F)(F)F |
| Title of publication | Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds. |
| Authors of publication | Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P. |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 48 |
| Pages of publication | 24476 - 24479 |
| a | 9.9059 ± 0.0001 Å |
| b | 11.5257 ± 0.0002 Å |
| c | 12.3039 ± 0.0002 Å |
| α | 67.909 ± 0.001° |
| β | 73.791 ± 0.001° |
| γ | 76.086 ± 0.001° |
| Cell volume | 1235.32 ± 0.03 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505765.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505765.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505765.cif |
| 47714 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505765 via cif-deposit CGI script. |
1505765.cif |
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