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Information card for entry 4065238
Preview
Coordinates | 4065238.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | stambuli1809 |
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Formula | C28 H46 Ag F9 Ir O10 P S3 |
Calculated formula | C28 H46 Ag F9 Ir O10 P S3 |
SMILES | [Ir]123456([O]=S(=O)(O[Ag](OS(=[O]1)(=O)C(F)(F)F)(OS(=[O]2)(=O)C(F)(F)F)[P](C(C)(C)C)(C(C)(C)C)C(=O)CCCCCC)C(F)(F)F)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
Title of publication | Synthesis and Reactivity of the Anionic Iridium(III) Complex [Cp*Ir(OTf)3][Ag{tBu2P(heptanoyl)}] |
Authors of publication | Whittemore, Sean M.; Gallucci, Judith; Stambuli, James P. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5273 |
a | 11.6112 ± 0.0001 Å |
b | 14.2871 ± 0.0001 Å |
c | 24.8819 ± 0.0002 Å |
α | 90° |
β | 90.165 ± 0.001° |
γ | 90° |
Cell volume | 4127.65 ± 0.06 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0521 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
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/4065238.html
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Users of the data should acknowledge the original authors of the
structural data.