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Information card for entry 7038274
Preview
Coordinates | 7038274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H45 Cl F6 N2 O P3 Re S |
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Calculated formula | C56 H45 Cl F6 N2 O P3 Re S |
SMILES | [Re]1(Oc2ccccc2c2[n]1c1c(s2)cccc1)(=Nc1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-] |
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 | 12.205 ± 0.0004 Å |
b | 11.5341 ± 0.0005 Å |
c | 36.2386 ± 0.0012 Å |
α | 90° |
β | 91.344 ± 0.003° |
γ | 90° |
Cell volume | 5100 ± 0.3 Å3 |
Cell temperature | 293 ± 0.2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 9 |
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 | 0.1062 |
Residual factor for significantly intense reflections | 0.0789 |
Weighted residual factors for significantly intense reflections | 0.1525 |
Weighted residual factors for all reflections included in the refinement | 0.1617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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