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Information card for entry 4063762
Preview
Coordinates | 4063762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H60 Cl4 Cr3 N4 |
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Calculated formula | C54 H60 Cl4 Cr3 N4 |
SMILES | c12c3cccc1C=[N](c1c(cccc1C)C)[Cr]12([N](=C3)c2c(cccc2C)C)[Cl][Cr]2([Cl]1)[Cl][Cr]13(c4c(cccc4C=[N]3c3c(cccc3C)C)C=[N]1c1c(cccc1C)C)[Cl]2.CCCCCC |
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 | 25.3449 ± 0.0017 Å |
b | 12.1107 ± 0.0008 Å |
c | 19.9733 ± 0.0014 Å |
α | 90° |
β | 121.802 ± 0.001° |
γ | 90° |
Cell volume | 5210.3 ± 0.6 Å3 |
Cell temperature | 185 ± 2 K |
Ambient diffraction temperature | 185 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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