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Information card for entry 7031507
Preview
Coordinates | 7031507.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H55 N O5 P2 Ru |
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Calculated formula | C26 H55 N O5 P2 Ru |
SMILES | [RuH]12([P](C(C)(C)C)(C(C)(C)C)CC[N]2(C)CC[P]1(C(C)(C)C)C(C)(C)C)(OC(=O)C)C#[O].OC(=O)C |
Title of publication | Selective conversion of alcohols in water to carboxylic acids by in situ generated ruthenium trans dihydrido carbonyl PNP complexes. |
Authors of publication | Choi, Jong-Hoo; Heim, Leo E.; Ahrens, Mike; Prechtl, Martin H. G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 46 |
Pages of publication | 17248 - 17254 |
a | 11.6024 ± 0.0004 Å |
b | 20.5977 ± 0.0006 Å |
c | 14.1642 ± 0.0004 Å |
α | 90° |
β | 113.029 ± 0.002° |
γ | 90° |
Cell volume | 3115.24 ± 0.17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7031507.html
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