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Information card for entry 1548146
Preview
Coordinates | 1548146.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 F3 N4 Na O8 |
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Calculated formula | C22 H32 F3 N4 Na O8 |
SMILES | FC(F)(F)c1[n-]c(c(n1)C#N)C#N.[Na]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1 |
Title of publication | Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems |
Authors of publication | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2017 |
Journal volume | 121 |
Journal issue | 48 |
Pages of publication | 26713 |
a | 18.4018 ± 0.0006 Å |
b | 17.2253 ± 0.0004 Å |
c | 18.0341 ± 0.0006 Å |
α | 90° |
β | 113.208 ± 0.004° |
γ | 90° |
Cell volume | 5253.8 ± 0.3 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0563 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1548146.html
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Users of the data should acknowledge the original authors of the
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