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Information card for entry 4084635
Preview
Coordinates | 4084635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H60 O4 Si4 Sn2 |
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Calculated formula | C72 H60 O4 Si4 Sn2 |
SMILES | [Sn]1(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[O]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Sn](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[O]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations |
Authors of publication | Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 11 |
Pages of publication | 2139 |
a | 11.1634 ± 0.0005 Å |
b | 14.746 ± 0.0006 Å |
c | 22.1742 ± 0.001 Å |
α | 83.641 ± 0.002° |
β | 89.206 ± 0.002° |
γ | 70.997 ± 0.002° |
Cell volume | 3429.1 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0645 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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