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Information card for entry 1513624
Preview
Coordinates | 1513624.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H36 I2 N2 U |
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Calculated formula | C32 H36 I2 N2 U |
SMILES | [c]123[cH]4[cH]5[c]67C(C)(C)c8cc(ccc8)C(C)(C)[c]89[cH]%10[cH]%11[c]%12(C(C)(C)c%13cc(ccc%13)C1(C)C)[n]8[U]34579%10%11%12([n]26)(I)I |
Title of publication | Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes |
Authors of publication | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 2 |
Pages of publication | 756 |
a | 10.6471 ± 0.0001 Å |
b | 22.5946 ± 0.0002 Å |
c | 12.5757 ± 0.0001 Å |
α | 90° |
β | 95.444 ± 0.001° |
γ | 90° |
Cell volume | 3011.65 ± 0.05 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1513624.html
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