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Information card for entry 7035873
Preview
Coordinates | 7035873.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H32 Cl2 I2 N O8 P Pd |
---|---|
Calculated formula | C35 H32 Cl2 I2 N O8 P Pd |
SMILES | [Pd]12(I)[n]3c(ccc4c3c(ccc4)[P+](c3ccccc3)(c3ccccc3)[C@]2(C(=C([C@]1(C(=O)OC)I)C(=O)OC)C(=O)OC)C(=O)OC)C.C(Cl)Cl.[Pd]12(I)[n]3c(ccc4c3c(ccc4)[P+](c3ccccc3)(c3ccccc3)[C@@]2(C(=C([C@@]1(C(=O)OC)I)C(=O)OC)C(=O)OC)C(=O)OC)C.C(Cl)Cl |
Title of publication | The addition of bromine and iodine to palladacyclopentadienyl complexes bearing bidentate heteroditopic P-N spectator ligands derived from differently substituted quinolinic frames. The unexpected evolution of the reaction. |
Authors of publication | Canovese, Luciano; Visentin, Fabiano; Scattolin, Thomas; Santo, Claudio; Bertolasi, Valerio |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 33 |
Pages of publication | 15049 - 15058 |
a | 11.8881 ± 0.0001 Å |
b | 27.2222 ± 0.0003 Å |
c | 12.0742 ± 0.0002 Å |
α | 90° |
β | 100.729 ± 0.0005° |
γ | 90° |
Cell volume | 3839.15 ± 0.08 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0866 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
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/7035873.html
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Users of the data should acknowledge the original authors of the
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