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Information card for entry 7022593
Preview
Coordinates | 7022593.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H16 Cl F6 N2 P Ru S |
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Calculated formula | C17 H16 Cl F6 N2 P Ru S |
SMILES | c1(ccccn1)[S]1Cc2cccc[n]2[Ru]234561([cH]1[cH]2[cH]3[cH]4[cH]5[cH]61)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Half sandwich complexes of chalcogenated pyridine based bi-(N, S/Se) and terdentate (N, S/Se, N) ligands with (η6-benzene)ruthenium(II): synthesis, structure and catalysis of transfer hydrogenation of ketones and oxidation of alcohols. |
Authors of publication | Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 24 |
Pages of publication | 8736 - 8747 |
a | 11.2023 ± 0.001 Å |
b | 13.1735 ± 0.0012 Å |
c | 13.2458 ± 0.0012 Å |
α | 90° |
β | 100.919 ± 0.002° |
γ | 90° |
Cell volume | 1919.3 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0399 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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