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Information card for entry 4081604
Preview
Coordinates | 4081604.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H41 Cl9 Ir2 N4 |
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Calculated formula | C35 H41 Cl9 Ir2 N4 |
SMILES | [Ir]12345([n]6ccccc6c6[n]1n1[Ir]789%10([n]%11c(c1c6)cccc%11)(Cl)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-] |
Title of publication | Probing the Viability of Oxo-Coupling Pathways in Iridium-Catalyzed Oxygen Evolution |
Authors of publication | Graeupner, Jonathan; Hintermair, Ulrich; Huang, Daria L.; Thomsen, Julianne M.; Takase, Mike; Campos, Jesús; Hashmi, Sara M.; Elimelech, Menachem; Brudvig, Gary W.; Crabtree, Robert H. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5384 |
a | 8.5417 ± 0.0002 Å |
b | 17.8892 ± 0.0003 Å |
c | 27.2391 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4162.2 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0192 |
Residual factor for significantly intense reflections | 0.0179 |
Weighted residual factors for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections included in the refinement | 0.0405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081604.html
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Users of the data should acknowledge the original authors of the
structural data.