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Information card for entry 4325551
Preview
Coordinates | 4325551.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 B2 F8 N10 Pd |
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Calculated formula | C26 H22 B2 F8 N10 Pd |
SMILES | [B](F)(F)(F)[F-].[Pd]12([n]3c(cn(Cc4ncccc4)n3)c3cccc[n]13)[n]1c(cn(Cc3ncccc3)n1)c1cccc[n]21.[B](F)(F)(F)[F-] |
Title of publication | Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole "Click" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study |
Authors of publication | Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6334 - 6346 |
a | 5.2874 ± 0.0005 Å |
b | 9.1829 ± 0.001 Å |
c | 15.3551 ± 0.0016 Å |
α | 74.415 ± 0.007° |
β | 86.265 ± 0.007° |
γ | 88.227 ± 0.007° |
Cell volume | 716.54 ± 0.13 Å3 |
Cell temperature | 91 ± 2 K |
Ambient diffraction temperature | 91 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0292 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0527 |
Weighted residual factors for all reflections included in the refinement | 0.0543 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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