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Information card for entry 7015800
Preview
Coordinates | 7015800.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H11 Cl2 F2 N Pd |
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Calculated formula | C17 H11 Cl2 F2 N Pd |
SMILES | [Pd](=C1C(=C1c1ccc(F)cc1)c1ccc(F)cc1)(Cl)(Cl)[N]#CC |
Title of publication | Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction. |
Authors of publication | Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 19 |
Pages of publication | 5316 - 5323 |
a | 13.0238 ± 0.0008 Å |
b | 7.3625 ± 0.0004 Å |
c | 17.0969 ± 0.0009 Å |
α | 90° |
β | 92.697 ± 0.003° |
γ | 90° |
Cell volume | 1637.57 ± 0.16 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1635 |
Residual factor for significantly intense reflections | 0.0891 |
Weighted residual factors for significantly intense reflections | 0.1297 |
Weighted residual factors for all reflections included in the refinement | 0.1539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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