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Information card for entry 7038269
Preview
Coordinates | 7038269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H45 Cl N2 O5 P2 Re2 S |
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Calculated formula | C56 H45 Cl N2 O5 P2 Re2 S |
SMILES | [Re]1([n]2c(sc3ccccc23)c2c(O1)cccc2)(=Nc1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.[Re](=O)(=O)(=O)[O-] |
Title of publication | p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide. |
Authors of publication | Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 45 |
Journal issue | 1 |
Pages of publication | 334 - 351 |
a | 12.7001 ± 0.0003 Å |
b | 21.0563 ± 0.0004 Å |
c | 19.9772 ± 0.0005 Å |
α | 90° |
β | 107.282 ± 0.003° |
γ | 90° |
Cell volume | 5101.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0507 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0843 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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