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Information card for entry 4126683
Preview
Coordinates | 4126683.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | SIA-110-B |
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Chemical name | hartwig136 |
Formula | C46 H42 Cl2 F2 Fe O2 P2 Pd |
Calculated formula | C46 H42 Cl2 F2 Fe O2 P2 Pd |
SMILES | c1(ccccc1)[Pd]1(C(C(=O)OCC)(F)F)[P](c2ccccc2)(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[c]93[P]1(c1ccccc1)c1ccccc1.C(CCl)Cl |
Title of publication | Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes. |
Authors of publication | Arlow, Sophie I.; Hartwig, John F. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 15.9427 ± 0.0005 Å |
b | 16.2365 ± 0.0006 Å |
c | 19.4196 ± 0.0008 Å |
α | 90° |
β | 114.063 ± 0.001° |
γ | 90° |
Cell volume | 4590 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0954 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4126683.html
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