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Information card for entry 1544257
Preview
Coordinates | 1544257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H59 Na O6 Si4 |
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Calculated formula | C37 H59 Na O6 Si4 |
SMILES | [Si]1([O]2[Na]345([O](CC2)C)[O]([Si](C)(C)C1[Si]([O]4CC[O]5C)(C)C)CC[O]3C)(C)C.[Si]([c-]1c2c(c3c1cccc3)cccc2)(c1ccccc1)(C)C |
Title of publication | Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. |
Authors of publication | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. |
Journal of publication | Chemical science |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 1316 - 1328 |
a | 23.272 ± 0.004 Å |
b | 9.7485 ± 0.0017 Å |
c | 37.173 ± 0.006 Å |
α | 90° |
β | 94.149 ± 0.002° |
γ | 90° |
Cell volume | 8411 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0779 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1544257.html
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