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Information card for entry 7224518
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Coordinates | 7224518.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetrakisvinylpyridine bisisothiocycanato nickel(II) phenanthrene |
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Formula | C38.75 H34.25 N6 Ni S2 |
Calculated formula | C38.7499 H34.25 N6 Ni S1.9999 |
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 | 10.3117 ± 0.0008 Å |
b | 16.8992 ± 0.0014 Å |
c | 22.3886 ± 0.0017 Å |
α | 81.874 ± 0.002° |
β | 83.128 ± 0.002° |
γ | 76.007 ± 0.001° |
Cell volume | 3732.8 ± 0.5 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 | 0.1261 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1454 |
Weighted residual factors for all reflections included in the refinement | 0.1808 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7224518.html
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