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Information card for entry 2021847
Preview
| Coordinates | 2021847.cif |
|---|---|
| Structure factors | 2021847.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κ<i>O</i>][bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]chlorido(ethanol-κ<i>O</i>)chromium}(<i>Cr</i>—<i>Cr</i>) benzene disolvate |
|---|---|
| Formula | C116 H172 Cl2 Cr2 O20 P4 |
| Calculated formula | C116 H172 Cl2 Cr2 O20 P4 |
| 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 | 12.8003 ± 0.001 Å |
| b | 14.3922 ± 0.0011 Å |
| c | 19.0048 ± 0.0015 Å |
| α | 76.5044 ± 0.0012° |
| β | 74.5363 ± 0.0012° |
| γ | 66.3984 ± 0.0011° |
| Cell volume | 3060.2 ± 0.4 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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. |
2021847.cif 2021847.hkl |
| 245043 | 2019-12-13 | cif/ hkl/ Adding structures of 2021845, 2021846, 2021847 via cif-deposit CGI script. |
2021847.cif 2021847.hkl |
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Users of the data should acknowledge the original authors of the
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