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Information card for entry 4077845
Preview
Coordinates | 4077845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H55 Ge4 Ir3 O6 |
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Calculated formula | C78 H55 Ge4 Ir3 O6 |
SMILES | [Ir]123([Ir]4([Ir]1([Ge]4(c1ccccc1)c1ccccc1)([Ge]3(c1ccccc1)c1ccccc1)(C#[O])(C#[O])c1ccccc1)([Ge]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])c1ccccc1)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].CCCCCC |
Title of publication | α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands |
Authors of publication | Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 7 |
Pages of publication | 2621 |
a | 13.9649 ± 0.0004 Å |
b | 15.3595 ± 0.0004 Å |
c | 18.6179 ± 0.0005 Å |
α | 68.968 ± 0.001° |
β | 77.588 ± 0.001° |
γ | 76.87 ± 0.001° |
Cell volume | 3590.63 ± 0.17 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0739 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/4077845.html
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Users of the data should acknowledge the original authors of the
structural data.