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Information card for entry 4342204
Preview
| Coordinates | 4342204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H30 Br F6 N6 P Pd |
|---|---|
| Calculated formula | C27 H30 Br F6 N6 P Pd |
| SMILES | C1(N(C(C)C)c2ccccc2N1C(C)C)=[Pd]1([n]2ccccc2n2cc(Cc3ccccc3)n[n]12)Br.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole "Click" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties. |
| Authors of publication | Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1572 - 1587 |
| a | 17.6493 ± 0.0002 Å |
| b | 9.4317 ± 0.0002 Å |
| c | 17.6839 ± 0.0002 Å |
| α | 90° |
| β | 91.556 ± 0.002° |
| γ | 90° |
| Cell volume | 2942.63 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0284 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179525 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342204.cif |
| 132795 | 2015-03-04 | cif/ Updating files of 4342191, 4342192, 4342193, 4342194, 4342195, 4342196, 4342197, 4342198, 4342199, 4342200, 4342201, 4342202, 4342203, 4342204, 4342205 Original log message: Adding full bibliography for 4342191--4342205.cif. |
4342204.cif |
| 130407 | 2015-02-04 | cif/ Adding structures of 4342191, 4342192, 4342193, 4342194, 4342195, 4342196, 4342197, 4342198, 4342199, 4342200, 4342201, 4342202, 4342203, 4342204, 4342205 via cif-deposit CGI script. |
4342204.cif |
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Users of the data should acknowledge the original authors of the
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