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Information card for entry 4105076
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Coordinates | 4105076.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cp*Sc(CH2SiMe3)2(thf) |
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Formula | C22 H45 O Sc Si2 |
Calculated formula | C22 H45 O Sc Si2 |
SMILES | [Sc]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
Title of publication | Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls |
Authors of publication | Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 13870 - 13882 |
a | 11.4414 ± 0.0005 Å |
b | 14.9248 ± 0.0007 Å |
c | 17.1487 ± 0.0008 Å |
α | 105.954 ± 0.001° |
β | 90.514 ± 0.001° |
γ | 105.852 ± 0.001° |
Cell volume | 2697.3 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0678 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4105076.html
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Users of the data should acknowledge the original authors of the
structural data.