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Information card for entry 4073209
Preview
Coordinates | 4073209.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18.38 H19.13 Cl1.63 Cr N |
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Calculated formula | C18.387 H19.161 Cl1.613 Cr N |
Title of publication | 1H NMR Investigation of Paramagnetic Chromium(III) Olefin Polymerization Catalysts: Experimental Results, Shift Assignment and Prediction by Quantum Chemical Calculations† |
Authors of publication | Fernández, Pablo; Pritzkow, Hans; Carbó, Jorge J.; Hofmann, Peter; Enders, Markus |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 18 |
Pages of publication | 4402 |
a | 14.0141 ± 0.0012 Å |
b | 13.8065 ± 0.0012 Å |
c | 17.5198 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3389.8 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0761 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.1395 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4073209.html
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