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Information card for entry 4069833
Preview
Coordinates | 4069833.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H40 Fe2 O4 P2 Pd |
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Calculated formula | C30 H40 Fe2 O4 P2 Pd |
SMILES | [Pd]1([P](O)([c]23[cH]4[Fe]56789%103([cH]4[cH]6[cH]27)[cH]3[cH]8[cH]9[cH]%10[cH]53)C(C)(C)C)([P]([O-])([c]23[Fe]456789%10([cH]%11[cH]4[cH]9[cH]6[cH]5%11)[cH]3[cH]7[cH]8[cH]2%10)C(C)(C)C)[O]=C(O1)C |
Title of publication | Application of Tautomerism of Ferrocenyl Secondary Phosphine Oxides in Suzuki−Miyaura Cross-Coupling Reactions |
Authors of publication | Jung, Lin-Ying; Tsai, Shih-Hung; Hong, Fung-E |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 20 |
Pages of publication | 6044 |
a | 9.1244 ± 0.0012 Å |
b | 10.3835 ± 0.0013 Å |
c | 16.218 ± 0.002 Å |
α | 96.204 ± 0.002° |
β | 94.089 ± 0.002° |
γ | 91.695 ± 0.002° |
Cell volume | 1522.6 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0545 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4069833.html
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Users of the data should acknowledge the original authors of the
structural data.