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Information card for entry 4107661
Preview
Coordinates | 4107661.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H47 Cl2 N2 O2 Y |
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Calculated formula | C39 H47 Cl2 N2 O2 Y |
SMILES | c12c3cccc1C=[N](c1c(cccc1C)C)[Y]2(Cl)(Cl)([N](=C3)c1c(cccc1C)C)([O]1CCCC1)[O]1CCCC1.c1(ccccc1)C |
Title of publication | Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors |
Authors of publication | Wei Gao; Dongmei Cui |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 4984 - 4991 |
a | 16.1259 ± 0.0012 Å |
b | 15.8846 ± 0.0012 Å |
c | 15.5062 ± 0.0011 Å |
α | 90° |
β | 107.968 ± 0.001° |
γ | 90° |
Cell volume | 3778.2 ± 0.5 Å3 |
Cell temperature | 187 ± 2 K |
Ambient diffraction temperature | 187 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1217 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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