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Information card for entry 4069311
Preview
Coordinates | 4069311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H59 N3 Th |
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Calculated formula | C39 H59 N3 Th |
SMILES | [Th]123456789([N](=NC%10%11CC%12CC(C%10)CC(C%11)C%12)N1C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C.c1ccccc1C |
Title of publication | Insertion of Carbodiimides and Organic Azides into Actinide−Carbon Bonds |
Authors of publication | Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.; Rheingold, Arnold L. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3350 |
a | 10.2096 ± 0.0006 Å |
b | 19.8762 ± 0.0011 Å |
c | 17.8379 ± 0.001 Å |
α | 90° |
β | 99.816 ± 0.001° |
γ | 90° |
Cell volume | 3566.8 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0224 |
Residual factor for significantly intense reflections | 0.0196 |
Weighted residual factors for significantly intense reflections | 0.0475 |
Weighted residual factors for all reflections included in the refinement | 0.049 |
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/4069311.html
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Users of the data should acknowledge the original authors of the
structural data.