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Information card for entry 4074685
Preview
Coordinates | 4074685.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H70 F5 Fe2 I O4 P2 Pd |
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Calculated formula | C56 H70 F5 Fe2 I O4 P2 Pd |
SMILES | c1(c(c(c(c(c1F)F)F)F)F)[Pd](I)([P]([c]12[cH]3[cH]4[Fe]5678913([cH]1[cH]5[cH]6[cH]7[c]81C1OCCO1)[cH]2[cH]49)(C1CCCCC1)C1CCCCC1)[P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82C1OCCO1)(C1CCCCC1)C1CCCCC1 |
Title of publication | 1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides |
Authors of publication | Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 1199 - 1205 |
a | 17.996 ± 0.0015 Å |
b | 19.5414 ± 0.0015 Å |
c | 17.0394 ± 0.0015 Å |
α | 90° |
β | 114.753 ± 0.002° |
γ | 90° |
Cell volume | 5441.6 ± 0.8 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1521 |
Residual factor for significantly intense reflections | 0.0771 |
Weighted residual factors for significantly intense reflections | 0.1332 |
Weighted residual factors for all reflections included in the refinement | 0.1555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/4074685.html
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Users of the data should acknowledge the original authors of the
structural data.