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Information card for entry 7119587
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Coordinates | 7119587.cif |
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Original paper (by DOI) | HTML |
Chemical name | 6,6"-(2,4,6-trimethylphenylamino terpyridine)-triphenylphosphino-ruthenium dichloride |
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Formula | C61 H58 Cl2 N5 P Ru |
Calculated formula | C61 H58 Cl2 N5 P Ru |
SMILES | [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(Nc4c(cc(cc4C)C)C)cccc3c3[n]1c(ccc3)c1[n]2c(Nc2c(cc(cc2C)C)C)ccc1.c1ccccc1.c1ccccc1 |
Title of publication | Second sphere ligand modifications enable a recyclable catalyst for oxidant-free alcohol oxidation to carboxylates. |
Authors of publication | Dahl, Eric W.; Louis-Goff, Thomas; Szymczak, Nathaniel K. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 14 |
Pages of publication | 2287 - 2289 |
a | 20.7269 ± 0.0004 Å |
b | 21.437 ± 0.0005 Å |
c | 22.2463 ± 0.0004 Å |
α | 113.71 ± 0.002° |
β | 96.4927 ± 0.0017° |
γ | 113.636 ± 0.002° |
Cell volume | 7835.2 ± 0.4 Å3 |
Cell temperature | 85 K |
Ambient diffraction temperature | 85 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1085 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.2162 |
Weighted residual factors for all reflections included in the refinement | 0.2548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7119587.cif |
193695 | 2017-03-05 | cif/ Updating files of 7119586, 7119587 Original log message: Adding full bibliography for 7119586--7119587.cif. |
7119587.cif |
191414 | 2017-02-04 | cif/ Adding structures of 7119586, 7119587 via cif-deposit CGI script. |
7119587.cif |
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Users of the data should acknowledge the original authors of the
structural data.