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Information card for entry 1529203
Preview
Coordinates | 1529203.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [U(OCP)(amid)3].[0.5toluene] |
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Formula | C43.5 H73 N6 O P Si6 U |
Calculated formula | C43.5 H73 N6 O P Si6 U |
SMILES | [U]123(OC#P)(N([Si](C)(C)C)C(=[N]1[Si](C)(C)C)c1ccccc1)(N([Si](C)(C)C)C(=[N]2[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)C(=[N]3[Si](C)(C)C)c1ccccc1.c1cccc(C)c1 |
Title of publication | Uranium and thorium complexes of the phosphaethynolate ion |
Authors of publication | Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 11 |
Pages of publication | 6379 |
a | 11.5703 ± 0.0012 Å |
b | 11.7055 ± 0.0013 Å |
c | 21.152 ± 0.002 Å |
α | 86.747 ± 0.005° |
β | 83.81 ± 0.005° |
γ | 75.03 ± 0.005° |
Cell volume | 2750.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0286 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0702 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.371 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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