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Information card for entry 4328998
Preview
Coordinates | 4328998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H13 N5 O9 U |
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Calculated formula | C8 H13 N5 O9 U |
SMILES | [U]123(=O)(=O)([O]=C(n4ccc[n]14)N(CC)CC)(ON(=[O]3)=O)ON(=[O]2)=O |
Title of publication | Steric Effects on Uranyl Complexation: Synthetic, Structural, and Theoretical Studies of Carbamoyl Pyrazole Compounds of the Uranyl(VI) Ion |
Authors of publication | Debasish Das; Shanmugaperumal Kannan; Dilip K. Maity; Michael G. B. Drew |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 4869 - 4876 |
a | 8.3229 ± 0.0006 Å |
b | 18.0208 ± 0.0011 Å |
c | 10.6066 ± 0.0008 Å |
α | 90° |
β | 100.902 ± 0.008° |
γ | 90° |
Cell volume | 1562.12 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1015 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1855 |
Weighted residual factors for all reflections included in the refinement | 0.1958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4328998.html
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