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Information card for entry 4081298
Preview
Coordinates | 4081298.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H27 Cl Cr O P |
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Calculated formula | C27 H27 Cl Cr O P |
SMILES | [Cr]12345([P](c6ccccc6)(c6c(O1)c(C(C)(C)C)ccc6)c1ccccc1)(Cl)[cH]1[cH]4[cH]2[cH]3[cH]51 |
Title of publication | New Half-Sandwich Chromium(III) Complexes Bearing Phenoxy-Phosphine (Oxide) [O,P(═O)] Ligands: Synthesis, Structures, and Catalytic Properties for Ethylene (Co)Polymerization |
Authors of publication | Tao, Ping; Mu, Hong-Liang; Liu, Jing-Yu; Li, Yue-Sheng |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 17 |
Pages of publication | 4805 |
a | 14.622 ± 0.002 Å |
b | 10.1233 ± 0.0014 Å |
c | 16.513 ± 0.002 Å |
α | 90° |
β | 98.072 ± 0.002° |
γ | 90° |
Cell volume | 2420.1 ± 0.6 Å3 |
Cell temperature | 185 ± 2 K |
Ambient diffraction temperature | 185 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0957 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.131 |
Weighted residual factors for all reflections included in the refinement | 0.1474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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