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Information card for entry 4069266
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Coordinates | 4069266.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonmg10 |
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Chemical name | [Cp*IrCl]2(mu-2-pentyl)2, 4 |
Formula | C30 H52 Cl2 Ir2 S2 |
Calculated formula | C30 H52 Cl2 Ir2 S2 |
SMILES | [Ir]12345(Cl)([S]([Ir]6789(Cl)([S]1[C@H](C)CCC)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[C@@H](C)CCC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Carbon−Sulfur Bond Cleavage of Methyl-Substituted Thiophenes with Iridium(III) |
Authors of publication | Grochowski, Matthew R.; Brennessel, William W.; Jones, William D. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 9 |
Pages of publication | 2661 |
a | 11.869 ± 0.006 Å |
b | 8.794 ± 0.005 Å |
c | 32.001 ± 0.017 Å |
α | 90° |
β | 91.713 ± 0.007° |
γ | 90° |
Cell volume | 3339 ± 3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.3215 |
Residual factor for significantly intense reflections | 0.1462 |
Weighted residual factors for significantly intense reflections | 0.268 |
Weighted residual factors for all reflections included in the refinement | 0.3305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4069266.html
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Users of the data should acknowledge the original authors of the
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