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Information card for entry 7039918
Preview
Coordinates | 7039918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H43 Cu I O4 P3 Si |
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Calculated formula | C46 H43 Cu I O4 P3 Si |
SMILES | [Cu]12(I)[P](O[Si](O[P]1(c1ccccc1)c1ccccc1)(O[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1 |
Title of publication | Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2. |
Authors of publication | Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 37 |
Pages of publication | 14774 - 14788 |
a | 19.0061 ± 0.0003 Å |
b | 21.5469 ± 0.0005 Å |
c | 21.4927 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8801.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0487 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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