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Information card for entry 7040182
Preview
Coordinates | 7040182.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H35 N2 O3 P Pd |
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Calculated formula | C27 H35 N2 O3 P Pd |
SMILES | [Pd]12([P](c3ccccc3CN3C=1N(C=C3)C)(C1CCCCC1)C1CCCCC1)[CH]1=[CH]2C(=O)OC1=O |
Title of publication | Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization. |
Authors of publication | Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10375 - 10388 |
a | 9.2416 ± 0.0016 Å |
b | 9.8555 ± 0.0018 Å |
c | 14.849 ± 0.003 Å |
α | 79.479 ± 0.014° |
β | 82.978 ± 0.013° |
γ | 86.719 ± 0.013° |
Cell volume | 1318.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0982 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1374 |
Weighted residual factors for all reflections included in the refinement | 0.1695 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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