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Information card for entry 4065936
Preview
Coordinates | 4065936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H57 Br2 Dy N4 O3 |
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Calculated formula | C44 H57 Br2 Dy N4 O3 |
SMILES | c1cc2CN3C=CN(C3=[Dy]3(=C4N(Cc(c1)c23)C=CN4c1c(cc(cc1C)C)C)([O]1CCCC1)(Br)Br)c1c(cc(cc1C)C)C.C1CCCO1.C1CCCO1 |
Title of publication | CCC-Pincer Bis(carbene) Lanthanide Dibromides. Catalysis on Highlycis-1,4-Selective Polymerization of Isoprene and Active Species |
Authors of publication | Lv, Kui; Cui, Dongmei |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 13 |
Pages of publication | 2987 |
a | 12.6752 ± 0.0009 Å |
b | 13.6803 ± 0.0009 Å |
c | 15.9839 ± 0.0011 Å |
α | 96.599 ± 0.001° |
β | 108.348 ± 0.001° |
γ | 108.583 ± 0.001° |
Cell volume | 2421.1 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0958 |
Residual factor for significantly intense reflections | 0.0707 |
Weighted residual factors for significantly intense reflections | 0.2089 |
Weighted residual factors for all reflections included in the refinement | 0.23 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065936.html
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