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Information card for entry 4326015
Preview
Coordinates | 4326015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H15 F3 N2 |
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Calculated formula | C14 H15 F3 N2 |
SMILES | FC(F)(F)c1c([nH]c(c1)C(C)(C)C)c1ncccc1 |
Title of publication | Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands |
Authors of publication | Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8121 - 8131 |
a | 8.9474 ± 0.0006 Å |
b | 9.13 ± 0.0006 Å |
c | 17.4147 ± 0.0011 Å |
α | 82.582 ± 0.001° |
β | 88.278 ± 0.001° |
γ | 83.504 ± 0.001° |
Cell volume | 1401.47 ± 0.16 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0662 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
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/4326015.html
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