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Information card for entry 7039328
Preview
Coordinates | 7039328.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H21 Cu F6 N11 P |
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Calculated formula | C26 H21 Cu F6 N11 P |
SMILES | [Cu]12([n]3c(c4[n]2nn(c4)c2ncccc2)cccc3)[n]2nn(c3ncccc3)cc2c2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand. |
Authors of publication | McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10209 - 10221 |
a | 16.8836 ± 0.0012 Å |
b | 8.0136 ± 0.0006 Å |
c | 21.7775 ± 0.0014 Å |
α | 90° |
β | 107.411 ± 0.005° |
γ | 90° |
Cell volume | 2811.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 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 | 0.1024 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1571 |
Weighted residual factors for all reflections included in the refinement | 0.1852 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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