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Information card for entry 4069166
Preview
Coordinates | 4069166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H58 Co F6 O P3 Ru |
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Calculated formula | C56 H58 Co F6 O P3 Ru |
SMILES | [Ru]12345([P]([c]67[cH]8[Co]9%10%11%12%13%146([cH]7[cH]9[cH]8%10)[c]6([P]1(c1ccccc1)c1ccccc1)[cH]%11[cH]%12[cH]%13[cH]%146)(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].O(CC)CC |
Title of publication | Synthesis, Electrochemistry, and Reactivity of Half-Sandwich Ruthenium Complexes Bearing Metallocene-Based Bisphosphines |
Authors of publication | Shaw, Anthony P.; Norton, Jack R.; Buccella, Daniela; Sites, Lauren A.; Kleinbach, Shannon S.; Jarem, Daniel A.; Bocage, Katherine M.; Nataro, Chip |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3804 |
a | 15.8294 ± 0.0019 Å |
b | 15.4514 ± 0.0018 Å |
c | 20.606 ± 0.002 Å |
α | 90° |
β | 92.002 ± 0.002° |
γ | 90° |
Cell volume | 5036.9 ± 1 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1218 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4069166.html
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Users of the data should acknowledge the original authors of the
structural data.