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Information card for entry 7050684
Preview
Coordinates | 7050684.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H88 Br3 Cu2 N4 |
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Calculated formula | C56 H88 Br3 Cu2 N4 |
SMILES | Br[Cu]12([n]3ccc(cc3c3cc(cc[n]13)C(CCCC)CCCC)C(CCCC)CCCC)[n]1ccc(cc1c1cc(cc[n]21)C(CCCC)CCCC)C(CCCC)CCCC.[Cu](Br)Br |
Title of publication | Structural comparison of CuII complexes in atom transfer radical polymerization |
Authors of publication | Kickelbick, Guido; Pintauer, Tomislav; Matyjaszewski, Krzysztof |
Journal of publication | New Journal of Chemistry |
Year of publication | 2002 |
Journal volume | 26 |
Journal issue | 4 |
Pages of publication | 462 |
a | 34.9413 ± 0.0015 Å |
b | 24.8105 ± 0.001 Å |
c | 17.168 ± 0.0007 Å |
α | 90° |
β | 95.362 ± 0.001° |
γ | 90° |
Cell volume | 14818 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1917 |
Residual factor for significantly intense reflections | 0.1185 |
Weighted residual factors for significantly intense reflections | 0.3138 |
Weighted residual factors for all reflections included in the refinement | 0.3798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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