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Information card for entry 7048412
Preview
| Coordinates | 7048412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H30 F16 N4 Na Nd O6 S8 |
|---|---|
| Calculated formula | C40 H30 F16 N4 Na Nd O6 S8 |
| SMILES | c12[n](c3c(c(c(c(c3F)F)F)F)s2)[Nd]234([n]5c(S2)sc2c5c(F)c(F)c(c2F)F)([n]2c(S3)sc3c2c(F)c(c(c3F)F)F)([n]2c(S4)sc3c2c(c(c(c3F)F)F)F)S1.C[O]1CC[O]([Na]231([O](C)CC[O]2C)[O](C)CC[O]3C)C |
| Title of publication | Synthesis, structure and long-lived NIR luminescence of lanthanide ate complexes with perfluorinated 2-mercaptobenzothiazole. |
| Authors of publication | Ilichev, Vasily A.; Silantyeva, Liubov I.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 3 |
| Pages of publication | 1060 - 1066 |
| a | 14.2673 ± 0.0004 Å |
| b | 32.3497 ± 0.0009 Å |
| c | 23.1902 ± 0.0006 Å |
| α | 90° |
| β | 100.086 ± 0.001° |
| γ | 90° |
| Cell volume | 10537.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287906 (current) | 2023-11-30 | cif/7/ (antanas@oposumas) Removed data items that had the '\^A' values from multiple entries. These values convey no meaning and most likely arose due to data corruption. The same values are also present in the original supplementary material data files. |
7048412.cif |
| 224579 | 2019-11-08 | cif/ Updating files of 7048411, 7048412, 7048413, 7048414 Original log message: Adding full bibliography for 7048411--7048414.cif. |
7048412.cif |
| 212704 | 2018-12-21 | cif/ Adding structures of 7048411, 7048412, 7048413, 7048414 via cif-deposit CGI script. |
7048412.cif |
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