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Information card for entry 7041704
Preview
| Coordinates | 7041704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H37 B Cl2 N9 O5 Tb |
|---|---|
| Calculated formula | C47 H35 B Cl2 N9 O5 Tb |
| SMILES | [Tb]12345([n]6n([BH](n7[n]2c(cc7)c2[n]3cccc2)n2[n]4c(cc2)c2[n]5cccc2)ccc6c2[n]1cccc2)(OC(=O)c1cc2c(cc1)cccc2)(OC(=O)c1cc2c(cc1)cccc2)[OH2].C(Cl)Cl |
| Title of publication | Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands. |
| Authors of publication | Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 11 |
| Pages of publication | 3457 - 3469 |
| a | 10.89 ± 0.003 Å |
| b | 10.788 ± 0.003 Å |
| c | 37.304 ± 0.01 Å |
| α | 90° |
| β | 95.139 ± 0.004° |
| γ | 90° |
| Cell volume | 4365 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0741 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195095 (current) | 2017-04-05 | cif/ Updating files of 7041696, 7041697, 7041698, 7041699, 7041700, 7041701, 7041702, 7041703, 7041704, 7041705, 7041706, 7041707, 7041708 Original log message: Adding full bibliography for 7041696--7041708.cif. |
7041704.cif |
| 190575 | 2017-01-17 | cif/ Adding structures of 7041696, 7041697, 7041698, 7041699, 7041700, 7041701, 7041702, 7041703, 7041704, 7041705, 7041706, 7041707, 7041708 via cif-deposit CGI script. |
7041704.cif |
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