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Information card for entry 1566090
Preview
Coordinates | 1566090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H16 Cl N4 O5 P Ru |
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Calculated formula | C21 H16 Cl N4 O5 P Ru |
SMILES | c1cccc2c3cccc4c5cccc[n]5[Ru]5(Cl)([n]12)([n]34)[n]1c(C(=O)O5)cc(cc1)P(=O)(O)O |
Title of publication | Electrochemical ruthenium-catalysed C–H activation in water through heterogenization of a molecular catalyst |
Authors of publication | Bühler, Jan; Zurflüh, Jonas; Siol, Sebastian; Blacque, Olivier; Sévery, Laurent; Tilley, S. David |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 1512 - 1519 |
a | 14.06525 ± 0.00017 Å |
b | 25.1567 ± 0.0004 Å |
c | 13.9309 ± 0.0002 Å |
α | 90° |
β | 100.051 ± 0.0014° |
γ | 90° |
Cell volume | 4853.59 ± 0.12 Å3 |
Cell temperature | 160 ± 1 K |
Ambient diffraction temperature | 160 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0623 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1359 |
Weighted residual factors for all reflections included in the refinement | 0.1444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1566090.html
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