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Information card for entry 7034172
Preview
| Coordinates | 7034172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C163 H136 Er4 N8 O18 S4 |
|---|---|
| Calculated formula | C149 H120 Er4 N8 O18 S4 |
| Title of publication | New NIR-emissive tetranuclear Er(iii) complexes with 4-hydroxo-2,1,3-benzothiadiazolate and dibenzoylmethanide ligands: synthesis and characterization. |
| Authors of publication | Sukhikh, Taisiya S.; Bashirov, Denis A.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Bogomyakov, Artem S.; Burilov, Vladimir A.; Mustafina, Asia R.; Zibarev, Andrey V.; Konchenko, Sergey N. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 5727 - 5734 |
| a | 14.1646 ± 0.0004 Å |
| b | 15.2641 ± 0.0004 Å |
| c | 16.4794 ± 0.0005 Å |
| α | 87.779 ± 0.001° |
| β | 89.776 ± 0.001° |
| γ | 82.376 ± 0.001° |
| Cell volume | 3528.86 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180047 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/41. |
7034172.cif |
| 134994 | 2015-04-06 | cif/ Updating files of 7034171, 7034172, 7034173 Original log message: Adding full bibliography for 7034171--7034173.cif. |
7034172.cif |
| 132460 | 2015-02-26 | cif/ Adding structures of 7034171, 7034172, 7034173 via cif-deposit CGI script. |
7034172.cif |
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Users of the data should acknowledge the original authors of the
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