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Information card for entry 7103204
Preview
Coordinates | 7103204.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H31 Cl2 N O2 Pd S2 |
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Calculated formula | C12 H31 Cl2 N O2 Pd S2 |
SMILES | [Pd]12([S](CC[NH]2CC[S]1CC(C)C)CC(C)C)Cl.[Cl-].O.O |
Title of publication | Isolation of an [SNS]Pd(II) pincer with a water ladder and its Suzuki coupling activity in water. |
Authors of publication | Bai, Shi-Qiang; Hor, T S Andy |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 27 |
Pages of publication | 3172 - 3174 |
a | 5.3641 ± 0.0007 Å |
b | 13.4053 ± 0.0017 Å |
c | 15.3 ± 0.002 Å |
α | 67.357 ± 0.002° |
β | 84.856 ± 0.002° |
γ | 80.298 ± 0.002° |
Cell volume | 1000.5 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0526 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7103204.html
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