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Information card for entry 4121594
Preview
Coordinates | 4121594.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 N7 O12 U2 |
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Calculated formula | C25 H25 N7 O12 U2 |
SMILES | [U]12(=O)([n]3ccccc3)([n]3ccccc3)(ON(=O)=[O]2)(=O)[O]2[U]3([n]4ccccc4)([n]4ccccc4)(ON(=O)=[O]3)(=O)(=O)[O]12.c1ncccc1 |
Title of publication | Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes. |
Authors of publication | McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 13 |
Pages of publication | 4797 - 4800 |
a | 16.2231 ± 0.0013 Å |
b | 15.0073 ± 0.0013 Å |
c | 13.9043 ± 0.0012 Å |
α | 90° |
β | 104.265 ± 0.002° |
γ | 90° |
Cell volume | 3280.8 ± 0.5 Å3 |
Cell temperature | 265 ± 2 K |
Ambient diffraction temperature | 265 ± 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 | 0.115 |
Residual factor for significantly intense reflections | 0.0589 |
Weighted residual factors for significantly intense reflections | 0.1399 |
Weighted residual factors for all reflections included in the refinement | 0.18 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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