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Information card for entry 7118155
Preview
Coordinates | 7118155.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H41 F3 N O3 P Pt S Si |
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Calculated formula | C29 H41 F3 N O3 P Pt S Si |
SMILES | [Pt]12(OS(=O)(=O)C(F)(F)F)[P](C3CCCCC3)(C3CCCCC3)c3ccccc3[Si]1(C)c1ccccc1C[N]2(C)C |
Title of publication | Fluorine-controlled C-H borylation of arenes catalyzed by a PSiN-pincer platinum complex |
Authors of publication | Jun Takaya; Shisei Ito; Hironori Nomoto; Narumasa Saito; Naohiro Kirai; Nobuharu Iwasawa |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 17662 |
a | 9.8511 ± 0.0014 Å |
b | 20.837 ± 0.003 Å |
c | 15.443 ± 0.002 Å |
α | 90° |
β | 99.5203 ± 0.0017° |
γ | 90° |
Cell volume | 3126.3 ± 0.8 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.233 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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