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Information card for entry 7054968
Preview
Coordinates | 7054968.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H78 N4 O2 Sc2 Si4 |
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Calculated formula | C36 H78 N4 O2 Sc2 Si4 |
SMILES | C([Sc]12([O]3[C@H](CCCC)CN4C(N(C=C4)C)=[Sc]3(C[Si](C)(C)C)(C[Si](C)(C)C)[O]2[C@H](CN2C=1N(C)C=C2)CCCC)C[Si](C)(C)C)[Si](C)(C)C |
Title of publication | Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization |
Authors of publication | Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 10 |
Pages of publication | 7682 |
a | 11.357 ± 0.0007 Å |
b | 11.8214 ± 0.0007 Å |
c | 19.0167 ± 0.0012 Å |
α | 90° |
β | 106.551 ± 0.001° |
γ | 90° |
Cell volume | 2447.3 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0954 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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