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Information card for entry 4101328
Preview
Coordinates | 4101328.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H39 Cl2 Cr N O S2 |
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Calculated formula | C20 H39 Cl2 Cr N O S2 |
SMILES | [Cr]12(Cl)(Cl)([NH](CC[S]1C1CCCCC1)CC[S]2C1CCCCC1)[O]1CCCC1 |
Title of publication | Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates. |
Authors of publication | Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Journal issue | 28 |
Pages of publication | 9238 - 9247 |
a | 11.198 ± 0.007 Å |
b | 20.051 ± 0.015 Å |
c | 12.262 ± 0.009 Å |
α | 90° |
β | 115.98 ± 0.03° |
γ | 90° |
Cell volume | 2475 ± 3 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1402 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4101328.html
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