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Information card for entry 7036372
Preview
Coordinates | 7036372.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H28 I2 N4 O Pd |
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Calculated formula | C22 H28 I2 N4 O Pd |
SMILES | I[Pd](I)([n]1ccccc1)c1n(n[n+](c1C1(O)CCCCC1)CC)Cc1ccccc1 |
Title of publication | Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes. |
Authors of publication | Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 40 |
Pages of publication | 17617 - 17628 |
a | 18.443 ± 0.01 Å |
b | 17.78 ± 0.011 Å |
c | 8.017 ± 0.005 Å |
α | 90° |
β | 110.425 ± 0.007° |
γ | 90° |
Cell volume | 2464 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.1481 |
Weighted residual factors for all reflections included in the refinement | 0.149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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