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Information card for entry 4132699
Preview
Coordinates | 4132699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H38 Co F9 N8 O4 |
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Calculated formula | C26 H38 Co F9 N8 O4 |
SMILES | c1cc2C[N]34CC[N]56Cc7ccnn7[Co]746(n2n1)[N](CC5)(CC3)CC(=O)N7CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCOCC.O |
Title of publication | <sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity. |
Authors of publication | Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 33 |
Pages of publication | 10546 - 10552 |
a | 16.7381 ± 0.0017 Å |
b | 13.3744 ± 0.0013 Å |
c | 14.2241 ± 0.0014 Å |
α | 90° |
β | 94.3 ± 0.003° |
γ | 90° |
Cell volume | 3175.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.063 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
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/4132699.html
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Users of the data should acknowledge the original authors of the
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