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Information card for entry 4132339
Preview
Coordinates | 4132339.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H76 Ir2 Ta2 |
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Calculated formula | C40 H76 Ir2 Ta2 |
SMILES | C(C(C)(C)C)[Ta]1(CC(C)(C)C)[IrH]2345([C]6([c]2([c]3([c]4([c]56C)C)C)C)C)[Ta]([IrH]23451[c]1([c]2([c]4([c]5([c]31C)C)C)C)C)(CC(C)(C)C)CC(C)(C)C |
Title of publication | Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions. |
Authors of publication | Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 14.4502 ± 0.001 Å |
b | 18.8905 ± 0.0009 Å |
c | 15.8769 ± 0.0009 Å |
α | 90° |
β | 94.102 ± 0.005° |
γ | 90° |
Cell volume | 4322.8 ± 0.4 Å3 |
Cell temperature | 150.01 ± 0.1 K |
Ambient diffraction temperature | 150.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections | 0.0986 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0174 |
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/4132339.html
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Users of the data should acknowledge the original authors of the
structural data.