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Information card for entry 7035866
Preview
| Coordinates | 7035866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis[27‒phenyltetrabenzo[b,g,l,q][5,10,15]triazaporphyrinato] europium(III) |
|---|---|
| Formula | C78 H42 Eu N14 |
| Calculated formula | C78 H42 Eu N14 |
| SMILES | [Eu]123456([n]7c8=Nc9n3c(c3ccccc93)C(=c3[n]2c(N=c2n1c(=Nc7c1c8cccc1)c1ccccc21)c1ccccc31)c1ccccc1)n1c2=Nc3[n]6c(=C(c6n5c(N=c5[n]4c(N=c1c1c2cccc1)c1ccccc51)c1ccccc61)c1ccccc1)c1ccccc31 |
| Title of publication | meso-Phenyltetrabenzotriazaporphyrin based double-decker lanthanide(iii) complexes: synthesis, structure, spectral properties and electrochemistry. |
| Authors of publication | Pushkarev, Victor E.; Kalashnikov, Valery V.; Tolbin, Alexander Yu; Trashin, Stanislav A.; Borisova, Nataliya E.; Simonov, Sergey V.; Rybakov, Victor B.; Tomilova, Larisa G.; Zefirov, Nikolay S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 37 |
| Pages of publication | 16553 - 16564 |
| a | 32.708 ± 0.0006 Å |
| b | 13.4864 ± 0.0002 Å |
| c | 36.4446 ± 0.0007 Å |
| α | 90° |
| β | 122.417 ± 0.001° |
| γ | 90° |
| Cell volume | 13571 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2168 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.0252 |
| Weighted residual factors for all reflections included in the refinement | 0.036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.585 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 161632 (current) | 2015-10-09 | cif/ Updating files of 7035866 Original log message: Adding full bibliography for 7035866.cif. |
7035866.cif |
| 152284 | 2015-07-18 | cif/ Adding structures of 7035866 via cif-deposit CGI script. |
7035866.cif |
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