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Information card for entry 4131278
Preview
Coordinates | 4131278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H47 Cl3 In N3 O3 P2 Pd S3 |
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Calculated formula | C45 H47 Cl3 In N3 O3 P2 Pd S3 |
SMILES | [Pd]12([In]34(Cl)(Cl)[n]5c([P]1(c1ccccc1)c1ccccc1)cccc5c1[n]3c(ccc1)c1[n]4c([P]2(c2ccccc2)c2ccccc2)ccc1)Cl.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C |
Title of publication | Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>. |
Authors of publication | Takaya, Jun; Iwasawa, Nobuharu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 17 |
Pages of publication | 6074 - 6077 |
a | 15.37 ± 0.0003 Å |
b | 18.6633 ± 0.0004 Å |
c | 17.1449 ± 0.0003 Å |
α | 90° |
β | 105.464 ± 0.002° |
γ | 90° |
Cell volume | 4740.05 ± 0.17 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1421 |
Weighted residual factors for all reflections included in the refinement | 0.154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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