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Information card for entry 4347956
Preview
Coordinates | 4347956.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H32 F6 N4 O9.5 S2 U |
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Calculated formula | C24 H28.25 F6 N4 O9.5 S2 U |
Title of publication | Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle. |
Authors of publication | Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W. |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 11 |
Pages of publication | 5693 - 5701 |
a | 12.329 ± 0.012 Å |
b | 16.376 ± 0.016 Å |
c | 16.606 ± 0.015 Å |
α | 90.59 ± 0.02° |
β | 100.232 ± 0.019° |
γ | 106.377 ± 0.019° |
Cell volume | 3159 ± 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 | 0.2134 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.823 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4347956.html
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structural data.