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Information card for entry 4066914
Preview
Coordinates | 4066914.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H58 Br2 O P2 Ru |
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Calculated formula | C35 H58 Br2 O P2 Ru |
SMILES | [Ru]12(Br)(Br)([O](CC[P]2(C2CCCCC2)C2CCCCC2)CC[P]1(C1CCCCC1)C1CCCCC1)=Cc1ccccc1 |
Title of publication | Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes |
Authors of publication | Boone, Michael P.; Brown, Christopher C.; Ancelet, Travis A.; Stephan, Douglas W. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 19 |
Pages of publication | 4369 |
a | 17.6657 ± 0.0006 Å |
b | 12.1392 ± 0.0004 Å |
c | 18.6142 ± 0.0007 Å |
α | 90° |
β | 116.226 ± 0.001° |
γ | 90° |
Cell volume | 3580.8 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/4066914.html
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