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Information card for entry 4128496
Preview
Coordinates | 4128496.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H53 N O8 P2 Ru |
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Calculated formula | C23 H53 N O8 P2 Ru |
SMILES | C(#[O])[RuH]12(C#[O])[NH](CC[P]1(C(C)(C)C)C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C.C(=O)([O-])O.O.O.O |
Title of publication | Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol. |
Authors of publication | Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 7 |
Pages of publication | 3160 - 3170 |
a | 12.463 ± 0.007 Å |
b | 15.073 ± 0.008 Å |
c | 32.221 ± 0.017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6053 ± 6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1084 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4128496.html
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