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Information card for entry 4068737
Preview
Coordinates | 4068737.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [k2-(Ph2PCH2CH2SMe)-k2-(Ph2PCH2CH2OPh)Pd](BF4)2 |
---|---|
Formula | C35 H36 B2 F8 O P2 Pd S |
Calculated formula | C35 H36 B2 F8 O P2 Pd S |
SMILES | [Pd]12([S](C)CC[P]1(c1ccccc1)c1ccccc1)[P](CC[O]2c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Reversible Ligand Pairing and Sorting Processes Leading to Heteroligated Palladium(II) Complexes with Hemilabile Ligands |
Authors of publication | Ulmann, Pirmin A.; Mirkin, Chad A.; DiPasquale, Antonio G.; Liable-Sands, Louise M.; Rheingold, Arnold L. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 1068 |
a | 11.0292 ± 0.0006 Å |
b | 13.0562 ± 0.0007 Å |
c | 13.6416 ± 0.0007 Å |
α | 84.974 ± 0.001° |
β | 66.604 ± 0.001° |
γ | 88.507 ± 0.001° |
Cell volume | 1795.86 ± 0.17 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 | 0.0488 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4068737.html
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Users of the data should acknowledge the original authors of the
structural data.