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Information card for entry 2021845
Preview
| Coordinates | 2021845.cif |
|---|---|
| Structure factors | 2021845.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>:κ<i>O</i>')di-μ-hydroxido-bis[(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>)(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ<i>O</i>)chromium](<i>Cr</i>—<i>Cr</i>) heptane disolvate |
|---|---|
| Formula | C128 H228 Cr2 O26 P6 |
| Calculated formula | C128 H228 Cr2 O26 P6 |
| Title of publication | Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization |
| Authors of publication | Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 93 - 103 |
| a | 16.0576 ± 0.0012 Å |
| b | 24.7423 ± 0.0019 Å |
| c | 18.2142 ± 0.0014 Å |
| α | 90° |
| β | 105.443 ± 0.001° |
| γ | 90° |
| Cell volume | 6975.3 ± 0.9 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247889 (current) | 2020-02-05 | cif/ Updating files of 2021845, 2021846, 2021847 Original log message: Adding full bibliography for 2021845--2021847.cif. |
2021845.cif 2021845.hkl |
| 245043 | 2019-12-13 | cif/ hkl/ Adding structures of 2021845, 2021846, 2021847 via cif-deposit CGI script. |
2021845.cif 2021845.hkl |
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