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Information card for entry 4084496
Preview
Coordinates | 4084496.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H28 Cl2 F6 N4 O4 Pd |
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Calculated formula | C28 H28 Cl2 F6 N4 O4 Pd |
SMILES | ClCCl.[Pd]1(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)=C2N(c3ccccc3N2CCCN2C=1N(C=C2)c1c(cc(cc1C)C)C)C |
Title of publication | Hetero-dicarbene Complexes of Palladium(II): Syntheses and Catalytic Activities |
Authors of publication | Yuan, Dan; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 21 |
Pages of publication | 6033 |
a | 11.5532 ± 0.0014 Å |
b | 16.799 ± 0.002 Å |
c | 15.8611 ± 0.0019 Å |
α | 90° |
β | 98.911 ± 0.002° |
γ | 90° |
Cell volume | 3041.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0328 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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