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Information card for entry 7217847
Preview
Coordinates | 7217847.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dichlorido-(N,N-diethyl-1-ferrocenyl-3-thiabutanamine)palladium(II) |
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Formula | C19 H31 Cl2 Fe N O Pd S |
Calculated formula | C19 H31 Cl2 Fe N O Pd S |
SMILES | [Pd]1([S](CC([N]1(CC)CC)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61)C)(Cl)Cl.OCC |
Title of publication | The palladium(II) complex of N,N-diethyl-1-ferrocenyl-3-thiabutanamine: synthesis, solution and solid state structure and catalytic activity in Suzuki-Miyaura reaction |
Authors of publication | Damljanovic, Ivan; Stevanovic, Dragana; Pejovic, Anka; Ilic, Danijela; Zivkovic, Marija; Jovanovic, Jovana; Vukicevic, Mirjana; Radulović, Niko S; Bogdanovic, Goran A.; Vukicevic, Rastko D. |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 11.867 ± 0.0004 Å |
b | 14.7863 ± 0.0004 Å |
c | 13.4527 ± 0.0006 Å |
α | 90° |
β | 105.836 ± 0.005° |
γ | 90° |
Cell volume | 2270.94 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0667 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.1037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
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/7217847.html
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Users of the data should acknowledge the original authors of the
structural data.