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Information card for entry 4078995
Preview
Coordinates | 4078995.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H47 Cl N2 Pd |
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Calculated formula | C39 H47 Cl N2 Pd |
SMILES | [Pd]1([N](c2c(C(C)C)cccc2C(C)C)=C(C(=[N]1c1c(C(C)C)cccc1C(C)C)c1ccccc1)c1ccccc1)(Cl)C |
Title of publication | Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate |
Authors of publication | Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6054 |
a | 21.262 ± 0.004 Å |
b | 9.4135 ± 0.0017 Å |
c | 17.715 ± 0.003 Å |
α | 90° |
β | 92.592 ± 0.003° |
γ | 90° |
Cell volume | 3542 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1154 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1393 |
Weighted residual factors for all reflections included in the refinement | 0.1673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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