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Information card for entry 4089103
Preview
Coordinates | 4089103.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H62 N4 Ru |
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Calculated formula | C38 H62 N4 Ru |
SMILES | C1(N(C=CN1C1CCCCC1)C1CCCCC1)=[Ru]1234([CH2]=[C]1(C2)C)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)[CH2]=[C]3(C4)C |
Title of publication | A Cyclometalated Ruthenium-NHC Precatalyst for the Asymmetric Hydrogenation of (Hetero)arenes and Its Activation Pathway |
Authors of publication | Paul, Daniel; Beiring, Bernhard; Plois, Markus; Ortega, Nuria; Kock, Slawomir; Schlüns, Danny; Neugebauer, Johannes; Wolf, Robert; Glorius, Frank |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 20 |
Pages of publication | 3641 |
a | 9.209 ± 0.0004 Å |
b | 18.2754 ± 0.0009 Å |
c | 21.1889 ± 0.0009 Å |
α | 90° |
β | 100.981 ± 0.001° |
γ | 90° |
Cell volume | 3500.8 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 1 K |
Number of distinct elements | 4 |
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 | 0.0274 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.0613 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4089103.html
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