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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 |
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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 |
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The link is: https://www.crystallography.net/4342204.html
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