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Information card for entry 7041701
Preview
| Coordinates | 7041701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H31 B N9 O5 Tb |
|---|---|
| Calculated formula | C38 H31 B N9 O5 Tb |
| SMILES | [BH]12n3ccc4c5cccc[n]5[Tb]56([n]34)([n]3ccccc3c3ccn1[n]53)([n]1ccccc1c1ccn2[n]61)(OC(=O)c1ccccc1)(OC(=O)c1ccccc1)[OH2] |
| 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 | 10.9879 ± 0.0016 Å |
| b | 17.059 ± 0.002 Å |
| c | 19.061 ± 0.003 Å |
| α | 90° |
| β | 102.377 ± 0.002° |
| γ | 90° |
| Cell volume | 3489.8 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0557 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7041701.cif |
| 195095 | 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. |
7041701.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. |
7041701.cif |
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