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Information card for entry 4326016
Preview
Coordinates | 4326016.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H8 Cu F6 N3 |
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Calculated formula | C13 H8 Cu F6 N3 |
SMILES | [Cu]1([n]2ccccc2c2n1c(cc2C(F)(F)F)C(F)(F)F)[N]#CC |
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 | 7.9582 ± 0.0012 Å |
b | 8.8597 ± 0.0013 Å |
c | 11.0798 ± 0.0016 Å |
α | 84.782 ± 0.002° |
β | 74.544 ± 0.003° |
γ | 68.527 ± 0.002° |
Cell volume | 700.67 ± 0.18 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
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/4326016.html
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