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Information card for entry 4068772
Preview
Coordinates | 4068772.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H50 B F4 I N2 O P2 Pd |
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Calculated formula | C51 H50 B F4 I N2 O P2 Pd |
SMILES | [Pd](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(n([n+](c1C)c1ccccc1)C)C.[B](F)(F)(F)[F-].O=C(C)C |
Title of publication | Palladium(II) Pyrazolin-4-ylidenes: Substituent Effects on the Formation and Catalytic Activity of Pyrazole-Based Remote NHC Complexes |
Authors of publication | Han, Yuan; Lee, Li Juan; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 9 |
Pages of publication | 2778 |
a | 19.396 ± 0.008 Å |
b | 11.13 ± 0.005 Å |
c | 24.415 ± 0.009 Å |
α | 90° |
β | 109.236 ± 0.011° |
γ | 90° |
Cell volume | 4976 ± 4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 9 |
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 | 0.16 |
Residual factor for significantly intense reflections | 0.0786 |
Weighted residual factors for significantly intense reflections | 0.1615 |
Weighted residual factors for all reflections included in the refinement | 0.1991 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4068772.html
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