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Information card for entry 4081267
Preview
Coordinates | 4081267.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H20 Cl2 F N3 Pd |
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Calculated formula | C25 H20 Cl2 F N3 Pd |
SMILES | [Pd](Cl)(Cl)(=C1N(c2c(N1c1ccccc1)cccc2)Cc1ccc(cc1)F)[n]1ccccc1 |
Title of publication | Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment |
Authors of publication | Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 17 |
Pages of publication | 4775 |
a | 9.1545 ± 0.0019 Å |
b | 9.9 ± 0.002 Å |
c | 13.992 ± 0.003 Å |
α | 93.456 ± 0.015° |
β | 98.067 ± 0.014° |
γ | 108.979 ± 0.014° |
Cell volume | 1179.7 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.779 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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