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Information card for entry 7103956
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Coordinates | 7103956.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 2 |
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Formula | C31 H59 Cl3 Cr N O P2 |
Calculated formula | C31 H59 Cl3 Cr N O P2 |
SMILES | [Cr]12(Cl)(Cl)(Cl)[P](CC[NH]2CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(=O)(C)C |
Title of publication | Novel Cr-PNP complexes as catalysts for the trimerisation of ethylene |
Authors of publication | McGuinness, David S.; Wasserscheid, Peter; Keim, Wilhelm; Hu, Chunhua; Englert, Ulli; Dixon, John T.; Grove, Cronje |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 3 |
Pages of publication | 334 - 335 |
a | 10.34 ± 0.003 Å |
b | 16.2779 ± 0.0011 Å |
c | 21.3434 ± 0.0018 Å |
α | 90° |
β | 90.757 ± 0.013° |
γ | 90° |
Cell volume | 3592.1 ± 1.1 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0917 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1399 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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