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Information card for entry 4089672
Preview
Coordinates | 4089672.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H16 Br2 N2 Pd |
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Calculated formula | C17 H16 Br2 N2 Pd |
SMILES | [Pd](=c1C=CC=CC=C1)(Br)(Br)[n]1cn(cc1)Cc1ccccc1 |
Title of publication | Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes |
Authors of publication | Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 6398 |
a | 7.9127 ± 0.0003 Å |
b | 8.8284 ± 0.0004 Å |
c | 12.3548 ± 0.0006 Å |
α | 94.676 ± 0.002° |
β | 91.954 ± 0.002° |
γ | 103.62 ± 0.002° |
Cell volume | 834.73 ± 0.06 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0465 |
Weighted residual factors for all reflections included in the refinement | 0.0514 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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