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Information card for entry 4083998
Preview
Coordinates | 4083998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 Cl2 Cr F3 N2 O2 |
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Calculated formula | C30 H30 Cl2 Cr F3 N2 O2 |
SMILES | [Cr]1(Cl)(Cl)([O]2CCCC2)([O]2CCCC2)[n]2c(ccc3cccc(N1c1ccccc1)c23)c1ccc(cc1)C(F)(F)F |
Title of publication | Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization |
Authors of publication | Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5758 |
a | 7.9433 ± 0.0002 Å |
b | 13.2043 ± 0.0004 Å |
c | 15.086 ± 0.0003 Å |
α | 109.586 ± 0.002° |
β | 102.004 ± 0.002° |
γ | 101.065 ± 0.002° |
Cell volume | 1398.15 ± 0.07 Å3 |
Cell temperature | 115 ± 0.1 K |
Ambient diffraction temperature | 115 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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