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Information card for entry 1542290
Preview
Coordinates | 1542290.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H9 Cl3 N3 O3 Re |
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Calculated formula | C15 H9 Cl3 N3 O3 Re |
SMILES | [Re]1([n]2c(c3[n]1ccc(c3)C#N)cccc2)(C#[O])(C#[O])(C#[O])Cl.ClCCl |
Title of publication | Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces |
Authors of publication | Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P. |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2016 |
Journal volume | 120 |
Journal issue | 3 |
Pages of publication | 1657 |
a | 10.7568 ± 0.0008 Å |
b | 11.9888 ± 0.0009 Å |
c | 14.3677 ± 0.0012 Å |
α | 90° |
β | 108.538 ± 0.003° |
γ | 90° |
Cell volume | 1756.7 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.019 |
Residual factor for significantly intense reflections | 0.0148 |
Weighted residual factors for significantly intense reflections | 0.0277 |
Weighted residual factors for all reflections included in the refinement | 0.0287 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0388 |
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/1542290.html
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