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Information card for entry 7217619
Preview
Coordinates | 7217619.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 Cl2 Fe N2 Pd |
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Calculated formula | C21 H18 Cl2 Fe N2 Pd |
SMILES | [Pd]1([n]2c(c3[n]1cc(C)cc3)ccc(c2)[c]12[cH]3[Fe]4567891([cH]([cH]34)[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(Cl)Cl |
Title of publication | 5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties. |
Authors of publication | Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J. |
Journal of publication | RSC Advances |
Year of publication | 2014 |
a | 16.5082 ± 0.0005 Å |
b | 7.4003 ± 0.0002 Å |
c | 16.766 ± 0.0005 Å |
α | 90° |
β | 113.598 ± 0.001° |
γ | 90° |
Cell volume | 1876.95 ± 0.1 Å3 |
Cell temperature | 89 ± 2 K |
Ambient diffraction temperature | 89 ± 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 | 0.0337 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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