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Information card for entry 4063765
Preview
Coordinates | 4063765.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H31 Cl2 Cr N2 O |
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Calculated formula | C28 H31 Cl2 Cr N2 O |
SMILES | c12c3cccc1C=[N](c1c(cccc1C)C)[Cr]2(Cl)(Cl)([N](=C3)c1c(cccc1C)C)[O]1CCCC1 |
Title of publication | Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization |
Authors of publication | Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 752 |
a | 8.2397 ± 0.0009 Å |
b | 9.8919 ± 0.0011 Å |
c | 16.256 ± 0.0018 Å |
α | 77.252 ± 0.002° |
β | 86.119 ± 0.002° |
γ | 87.316 ± 0.002° |
Cell volume | 1288.6 ± 0.2 Å3 |
Cell temperature | 187 ± 2 K |
Ambient diffraction temperature | 187 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0498 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1069 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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