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Information card for entry 7039545
Preview
Coordinates | 7039545.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H25 Cl2 N3 Pd Se |
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Calculated formula | C21 H25 Cl2 N3 Pd Se |
SMILES | [Pd]1([Se](c2ccccc2)Cc2[n]1nn(c2)c1c(cccc1C(C)C)C(C)C)(Cl)Cl |
Title of publication | 'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications. |
Authors of publication | Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 28 |
Pages of publication | 11445 - 11458 |
a | 8.6059 ± 0.0013 Å |
b | 13.194 ± 0.002 Å |
c | 21.17 ± 0.003 Å |
α | 94.485 ± 0.003° |
β | 93.455 ± 0.003° |
γ | 106.073 ± 0.003° |
Cell volume | 2294.3 ± 0.6 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 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 | 0.0495 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0888 |
Weighted residual factors for all reflections included in the refinement | 0.0972 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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