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Information card for entry 4087086
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Coordinates | 4087086.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3 [Cp(star)IrCl(NHC(Me)-py(OMe))]OTf |
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Formula | C21 H26 Cl F3 Ir N3 O4 S |
Calculated formula | C21 H26 Cl F3 Ir N3 O4 S |
Title of publication | Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal |
Authors of publication | Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T. |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 6 |
Pages of publication | 1091 |
a | 7.3609 ± 0.0003 Å |
b | 15.3328 ± 0.0006 Å |
c | 22.355 ± 0.0009 Å |
α | 90° |
β | 97.709 ± 0.002° |
γ | 90° |
Cell volume | 2500.25 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0564 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4087086.html
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