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Information card for entry 4080865
Preview
Coordinates | 4080865.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H35 Cl O4 P2 Ru |
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Calculated formula | C44 H35 Cl O4 P2 Ru |
SMILES | C123c4c5cccc4C(c4cccc(c14)[P](c1ccccc1)(c1ccccc1)[Ru]3(C#[O])(C#[O])(Cl)[P]5(c1ccccc1)c1ccccc1)[C@@H]([C@H]2CO)CO.C123c4c5cccc4C(c4cccc(c14)[P](c1ccccc1)(c1ccccc1)[Ru]3(C#[O])(C#[O])(Cl)[P]5(c1ccccc1)c1ccccc1)[C@H]([C@@H]2CO)CO |
Title of publication | Bifunctional Ruthenium(II) PCP Pincer Complexes and Their Catalytic Activity in Acceptorless Dehydrogenative Reactions |
Authors of publication | Musa, Sanaa; Fronton, Sveta; Vaccaro, Luigi; Gelman, Dmitri |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3069 |
a | 17.3754 ± 0.001 Å |
b | 13.5398 ± 0.0008 Å |
c | 31.1195 ± 0.0018 Å |
α | 90° |
β | 93.127 ± 0.001° |
γ | 90° |
Cell volume | 7310.3 ± 0.7 Å3 |
Cell temperature | 295 ± 1 K |
Ambient diffraction temperature | 295 ± 1 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0659 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1403 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080865.html
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Users of the data should acknowledge the original authors of the
structural data.