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Information card for entry 4083800
Preview
Coordinates | 4083800.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H15 B F4 N4 O4 Ru2 S2 |
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Calculated formula | C28 H15 B F4 N4 O4 Ru2 S2 |
SMILES | [Ru]123([Ru]4([s]5c(ccc5)c5[n]4c4[n]2cccc4cc5)([n]2cccc4c2[n]1c(cc4)c1sccc31)(C#[O])C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-] |
Title of publication | Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit |
Authors of publication | Patra, Sanjib K.; Bera, Jitendra K. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 26 |
Pages of publication | 6054 |
a | 10.9954 ± 0.0014 Å |
b | 20.666 ± 0.003 Å |
c | 15.687 ± 0.002 Å |
α | 90° |
β | 106.961 ± 0.002° |
γ | 90° |
Cell volume | 3409.5 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0924 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1411 |
Weighted residual factors for all reflections included in the refinement | 0.1543 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/4083800.html
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