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Information card for entry 4068367
Preview
Coordinates | 4068367.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H48 N P Ru Si |
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Calculated formula | C33 H48 N P Ru Si |
SMILES | [RuH]12345([SiH2]c6ccccc6)([P](C6=C(N(C1)C)Cc1c6cccc1)(C(C)C)C(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
Title of publication | Probing the Dynamics and Reactivity of a Stereochemically Nonrigid Cp*Ru(H)(κ2-P,Carbene) Complex |
Authors of publication | Rankin, Matthew A.; MacLean, Darren F.; McDonald, Robert; Ferguson, Michael J.; Lumsden, Michael D.; Stradiotto, Mark |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 74 |
a | 9.1971 ± 0.0012 Å |
b | 9.4967 ± 0.0013 Å |
c | 18.536 ± 0.003 Å |
α | 85.73 ± 0.002° |
β | 80.573 ± 0.002° |
γ | 76.799 ± 0.002° |
Cell volume | 1553.7 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 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 | 0.0519 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4068367.html
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