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Information card for entry 4065690
Preview
Coordinates | 4065690.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H55 N3 O U |
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Calculated formula | C37 H55 N3 O U |
SMILES | [U]123456789([N]%10=C%11N1CCCN%11CCC%10)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)c1ccccc1.O1CCCC1 |
Title of publication | Utility of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)−, in Stabilizing Uranium Metallocene Mono-Alkyl and “Tuck-in” Complexes |
Authors of publication | Montalvo, Elizabeth; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Evans, William J. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 9 |
Pages of publication | 2104 |
a | 10.9515 ± 0.0006 Å |
b | 14.5882 ± 0.0008 Å |
c | 20.7117 ± 0.0011 Å |
α | 90° |
β | 90.4525 ± 0.0006° |
γ | 90° |
Cell volume | 3308.9 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0199 |
Residual factor for significantly intense reflections | 0.0158 |
Weighted residual factors for significantly intense reflections | 0.0361 |
Weighted residual factors for all reflections included in the refinement | 0.0377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4065690.html
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Users of the data should acknowledge the original authors of the
structural data.