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Information card for entry 1545982
Preview
Coordinates | 1545982.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H88 Cu2 Li4 N6 O4 |
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Calculated formula | C46 H88 Cu2 Li4 N6 O4 |
SMILES | [Cu]([N]1(C(C)(C)CCCC1(C)C)[Li]1[O]2CCCC2)[N]2(C(C)(CCCC2(C)C)C)[Li]2[N]1=C=[O][Li]([N]1=C=[O]2)[N]2(C(C)(CCCC2(C)C)C)[Cu][N]2(C(C)(C)CCCC2(C)C)[Li]1[O]1CCCC1 |
Title of publication | Metal exchange in lithiocuprates: implications for our understanding of structure and reactivity |
Authors of publication | Wheatley, Andrew; Peel, Andrew; Ackroyd, Ryan |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 8.4118 ± 0.0004 Å |
b | 11.5807 ± 0.0005 Å |
c | 13.5645 ± 0.0006 Å |
α | 98.376 ± 0.002° |
β | 95.058 ± 0.002° |
γ | 94.955 ± 0.002° |
Cell volume | 1295.58 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1545982.html
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