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Information card for entry 4083781
Preview
Coordinates | 4083781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 Br2 N4 Pd |
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Calculated formula | C15 H18 Br2 N4 Pd |
SMILES | [Pd](Br)(Br)([N]#CC)=C1N2N(c3c1cccc3)CCCC2.N#CC |
Title of publication | Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes |
Authors of publication | Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2014 |
Pages of publication | 140627160434001 |
a | 9.8647 ± 0.001 Å |
b | 11.549 ± 0.0011 Å |
c | 15.5559 ± 0.0016 Å |
α | 90° |
β | 94.278 ± 0.002° |
γ | 90° |
Cell volume | 1767.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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