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Information card for entry 4131936
Preview
Coordinates | 4131936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H72 Ce N9 |
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Calculated formula | C36 H72 Ce N9 |
SMILES | [Ce]123([N](=C(N1C(C)C)N1CCCCC1)C(C)C)([N](=C(N2C(C)C)N1CCCCC1)C(C)C)[N](=C(N3C(C)C)N1CCCCC1)C(C)C |
Title of publication | Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores. |
Authors of publication | Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 13 |
Pages of publication | 4588 - 4595 |
a | 10.0315 ± 0.0004 Å |
b | 11.8803 ± 0.0004 Å |
c | 17.842 ± 0.0007 Å |
α | 82.423 ± 0.002° |
β | 85.788 ± 0.002° |
γ | 89.638 ± 0.002° |
Cell volume | 2102.09 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0259 |
Residual factor for significantly intense reflections | 0.0211 |
Weighted residual factors for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.0482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4131936.html
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Users of the data should acknowledge the original authors of the
structural data.