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Information card for entry 4325294
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Coordinates | 4325294.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ir2(tfepma)2(CNtBu)2Cl3H |
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Formula | C28 H41 Cl3 F24 Ir2 N4 O8 P4 |
Calculated formula | C28 H41 Cl3 F24 Ir2 N4 O8 P4 |
SMILES | [Ir]12([IrH]([P](N([P]1(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)([P](N([P]2(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)(Cl)C#[N]C(C)(C)C)(Cl)(Cl)C#[N]C(C)(C)C |
Title of publication | Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes |
Authors of publication | Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5223 - 5233 |
a | 11.969 ± 0.001 Å |
b | 12.9308 ± 0.0011 Å |
c | 18.8604 ± 0.0016 Å |
α | 86.661 ± 0.001° |
β | 82.484 ± 0.001° |
γ | 66.698 ± 0.001° |
Cell volume | 2657.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4325294.html
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Users of the data should acknowledge the original authors of the
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