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Information card for entry 1519343
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Coordinates | 1519343.cif |
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Formula | C24 H24 F6 N2 O4 Pd2 |
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Calculated formula | C24 H24 F6 N2 O4 Pd2 |
SMILES | [Pd]12([O]=C(C(F)(F)F)O[Pd]3([O]=C(O1)C(F)(F)F)[N](=Cc1c3cccc1)C(C)C)[N](=Cc1ccccc21)C(C)C |
Title of publication | bis(I(1/4)2-Trifluoroacetato-O,O')-bis(2-((isopropylimino)methyl)phenyl-C,N) -di-palladium |
Authors of publication | Light, Mark E.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 126 |
a | 11.0425 ± 0.0002 Å |
b | 15.4028 ± 0.0003 Å |
c | 16.0274 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2726.03 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0343 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0671 |
Weighted residual factors for all reflections included in the refinement | 0.0688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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