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Information card for entry 7224519
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Coordinates | 7224519.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetrakisvinylpyridine bisisothiocyanato nickel(II) anthracene |
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Formula | C67 H56 N12 Ni2 S4 |
Calculated formula | C67 H56 N12 Ni2 S4 |
Title of publication | Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods |
Authors of publication | Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 14 |
Pages of publication | 2509 |
a | 10.1289 ± 0.0004 Å |
b | 16.477 ± 0.0009 Å |
c | 20.6537 ± 0.001 Å |
α | 100.43 ± 0.002° |
β | 97.129 ± 0.003° |
γ | 105.351 ± 0.003° |
Cell volume | 3214.8 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1188 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.1707 |
Weighted residual factors for all reflections included in the refinement | 0.1974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7224519.html
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