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Information card for entry 4123173
Preview
Coordinates | 4123173.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H39 Si3 Tm |
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Calculated formula | C24 H39 Si3 Tm |
SMILES | [Tm]123456789%10%11%12([cH]%13[cH]%10[c]%11([Si](C)(C)C)[cH]2[cH]1%13)([cH]1[cH]%12[c]5([cH]4[cH]31)[Si](C)(C)C)[cH]1[cH]6[cH]7[cH]8[c]91[Si](C)(C)C |
Title of publication | Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+). |
Authors of publication | Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 1 |
Pages of publication | 369 - 382 |
a | 8.2012 ± 0.0003 Å |
b | 22.4085 ± 0.0008 Å |
c | 28.6584 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5266.7 ± 0.3 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0313 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0423 |
Weighted residual factors for all reflections included in the refinement | 0.0457 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4123173.html
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