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Information card for entry 4080115
Preview
Coordinates | 4080115.cif |
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Original paper (by DOI) | HTML |
Formula | C58 H83 N6 Sc Si |
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Calculated formula | C58 H83 N6 Sc Si |
SMILES | [Sc]12([N](=C(C)C=C(N1CCN(C)C)C)c1c(cccc1C(C)C)C(C)C)([N](=CN2c1ccccc1)c1ccccc1)N([SiH2]c1ccccc1)c1c(cccc1C(C)C)C(C)C.CCCCCC |
Title of publication | Reversible Addition of the Si‒H Bond of Phenylsilane to the Sc‒N Bond of a Scandium Terminal Imido Complex |
Authors of publication | Chu, Jiaxiang; Lu, Erli; Chen, Yaofeng; Leng, Xuebing |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 5 |
Pages of publication | 1137 - 1140 |
a | 13.543 ± 0.002 Å |
b | 14.4 ± 0.002 Å |
c | 14.572 ± 0.002 Å |
α | 84.042 ± 0.003° |
β | 74.078 ± 0.003° |
γ | 82.847 ± 0.003° |
Cell volume | 2704.3 ± 0.7 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 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 | 0.0938 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.1578 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4080115.html
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Users of the data should acknowledge the original authors of the
structural data.