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Information card for entry 7039329
Preview
Coordinates | 7039329.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H9 Cl2 N5 Pt |
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Calculated formula | C12 H9 Cl2 N5 Pt |
SMILES | c1cccc2[n]1[Pt](Cl)(Cl)[n]1nn(cc21)c1ncccc1 |
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 | 7.8483 ± 0.0004 Å |
b | 18.6289 ± 0.001 Å |
c | 9.3808 ± 0.0005 Å |
α | 90° |
β | 102.922 ± 0.001° |
γ | 90° |
Cell volume | 1336.79 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
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 | 0.019 |
Residual factor for significantly intense reflections | 0.0171 |
Weighted residual factors for significantly intense reflections | 0.0305 |
Weighted residual factors for all reflections included in the refinement | 0.0308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.26 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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