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Information card for entry 4069296
Preview
Coordinates | 4069296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H53 B2 Cl6 F8 Ir O4 P4 Ru |
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Calculated formula | C58 H53 B2 Cl6 F8 Ir O4 P4 Ru |
SMILES | [Ir]123([Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C3C)(C#[O])C#[O])C#[O].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl.ClCCl.ClCCl |
Title of publication | Unsymmetrically Bridged Methyl Groups as Intermediates in the Transformation of Bridging Methylene to Bridging Acetyl Groups: Ligand Migrations and Migratory Insertions in Mixed Iridium/Ruthenium Complexes |
Authors of publication | Samant, Rahul G.; Trepanier, Steven J.; Wigginton, James R.; Xu, Li; Bierenstiel, Matthias; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3407 |
a | 18.899 ± 0.003 Å |
b | 14.728 ± 0.003 Å |
c | 24.634 ± 0.004 Å |
α | 90° |
β | 112.097 ± 0.003° |
γ | 90° |
Cell volume | 6353.1 ± 1.9 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 9 |
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 | 0.1032 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/4069296.html
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Users of the data should acknowledge the original authors of the
structural data.