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Information card for entry 1558296
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Coordinates | 1558296.cif |
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Original paper (by DOI) | HTML |
Common name | Compound 1.3THF |
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Chemical name | [{(py)U(OH)2U(O2C6H4)(py)}(LA)] |
Formula | C86 H88 N10 O7 U2 |
Calculated formula | C86 H88 N10 O7 U2 |
Title of publication | Selective Oxo Ligand Functionalisation and Substitution Reactivity in an Oxo/Catecholate-Bridged UIV/UIV Pacman Complex |
Authors of publication | Cowie, Bradley E.; Douair, Iskander; Laurent, Maron; Love, Jason; Arnold, Polly Louise |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 16.9463 ± 0.0003 Å |
b | 24.3235 ± 0.0004 Å |
c | 17.9675 ± 0.0003 Å |
α | 90° |
β | 98.7581 ± 0.0015° |
γ | 90° |
Cell volume | 7319.7 ± 0.2 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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253137 (current) | 2020-06-13 | cif/ Adding structures of 1558296, 1558297, 1558298, 1558299, 1558300, 1558301, 1558302, 1558303 via cif-deposit CGI script. |
1558296.cif |
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Users of the data should acknowledge the original authors of the
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