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Information card for entry 4083572
Preview
Coordinates | 4083572.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H104 Br4 Cl6 N8 Pd3 |
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Calculated formula | C116 H104 Br4 Cl6 N8 Pd3 |
SMILES | [n]1(cc(cc(c1)C)C)[Pd](Br)([n]1cc(cc(c1)C)C)Br.Br[Pd]123C(=C([C]3(=[C]2(c2ccccc2)c2c([N]1=C(Nc1ccccc1C)Nc1ccccc1C)c(ccc2)C)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(=[N]1c2c(cccc2C)[C]2(c3ccccc3)=[C]3(c4ccccc4)C(=C(c4ccccc4)[Pd]123Br)c1ccccc1)(Nc1ccccc1C)Nc1ccccc1C.C(Cl)(Cl)Cl |
Title of publication | Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization |
Authors of publication | Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 12 |
Pages of publication | 3182 |
a | 12.794 ± 0.0006 Å |
b | 15.4877 ± 0.0006 Å |
c | 15.5141 ± 0.0007 Å |
α | 72.231 ± 0.004° |
β | 70.907 ± 0.004° |
γ | 76.646 ± 0.004° |
Cell volume | 2736.9 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0791 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1769 |
Weighted residual factors for all reflections included in the refinement | 0.1853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
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/4083572.html
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