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Information card for entry 4519185
Preview
Coordinates | 4519185.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 F6 N O4 P S2 |
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Calculated formula | C24 H24 F6 N O4 P S2 |
Title of publication | Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids |
Authors of publication | O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. |
Journal of publication | ACS Omega |
Year of publication | 2021 |
Journal volume | 6 |
Journal issue | 47 |
Pages of publication | 32285 - 32296 |
a | 16.2282 ± 0.0005 Å |
b | 19.4802 ± 0.0005 Å |
c | 8.9123 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2817.43 ± 0.15 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0986 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1266 |
Weighted residual factors for all reflections included in the refinement | 0.1537 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/4519185.html
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Users of the data should acknowledge the original authors of the
structural data.