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Information card for entry 4338459
Preview
| Coordinates | 4338459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H34 Cl4 O4 P2 S |
|---|---|
| Calculated formula | C40 H34 Cl4 O4 P2 S |
| SMILES | S1(=O)(=O)c2c(c3cccc(c13)CP(=O)(c1ccccc1)c1ccccc1)cccc2CP(=O)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms. |
| Authors of publication | Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 11 |
| Pages of publication | 5698 - 5711 |
| a | 8.9081 ± 0.0004 Å |
| b | 10.2099 ± 0.0005 Å |
| c | 11.4562 ± 0.0005 Å |
| α | 91.404 ± 0.003° |
| β | 97.115 ± 0.003° |
| γ | 114.544 ± 0.003° |
| Cell volume | 937.17 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179487 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/84. |
4338459.cif |
| 115724 | 2014-06-05 | cif/ Updating files of 4338458, 4338459, 4338460, 4338461, 4338462, 4338463, 4338464, 4338465 Original log message: Adding full bibliography for 4338458--4338465.cif. |
4338459.cif |
| 114014 | 2014-05-21 | cif/ Adding structures of 4338458, 4338459, 4338460, 4338461, 4338462, 4338463, 4338464, 4338465 via cif-deposit CGI script. |
4338459.cif |
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Users of the data should acknowledge the original authors of the
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