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Information card for entry 4123166
Preview
Coordinates | 4123166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H83 K N2 Nd O7 Si3 |
---|---|
Calculated formula | C46 H83 K N2 Nd O7 Si3 |
SMILES | [Nd]123456789%10%11%12([c]%13([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%13)([c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81)[c]1([Si](C)(C)C)[cH]9[cH]%10[cH]%11[cH]%121.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O1CCCC1 |
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 | 15.9857 ± 0.0005 Å |
b | 24.4019 ± 0.0008 Å |
c | 13.7617 ± 0.0005 Å |
α | 90° |
β | 90.8314 ± 0.0004° |
γ | 90° |
Cell volume | 5367.6 ± 0.3 Å3 |
Cell temperature | 88 ± 2 K |
Ambient diffraction temperature | 88 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0257 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.0529 |
Weighted residual factors for all reflections included in the refinement | 0.0548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4123166.html
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