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Information card for entry 7119939
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7119939.cif |
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Original paper (by DOI) | HTML |
Common name | dipyrihexaphyrin uranyl |
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Chemical name | dipyriamethyrin uranyl complex |
Formula | C56 H46 F10 N6 O2 U |
Calculated formula | C56 H46 F10 N6 O2 U |
SMILES | c12c(c(c(C(=c3c(c(c4[n]3[U]3567([n]8c4cccc8c4c(c(c(C(=c8c(c(c([n]38)c3[n]5c2ccc3)CC)CC)c2c(F)c(F)c(F)c(F)c2F)n46)CC)CC)(=O)=O)CC)CC)c2c(F)c(c(F)c(F)c2F)F)n17)CC)CC |
Title of publication | Synthesis and characterization of a dipyriamethyrin-uranyl complex. |
Authors of publication | Brewster, James T.; He, Qing; Anguera, Gonzalo; Moore, Matthew D.; Ke, Xian-Sheng; Lynch, Vincent M.; Sessler, Jonathan L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 36 |
Pages of publication | 4981 - 4984 |
a | 14.8944 ± 0.0004 Å |
b | 9.8978 ± 0.0003 Å |
c | 32.5727 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4801.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/7119939.html
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Users of the data should acknowledge the original authors of the
structural data.