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Information card for entry 4131312
Preview
Coordinates | 4131312.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H14 Au N |
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Calculated formula | C19 H14 Au N |
SMILES | [Au](C#[N]c1c(cccc1)c1ccccc1)c1ccccc1 |
Title of publication | Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups. |
Authors of publication | Jin, Mingoo; Seki, Tomohiro; Ito, Hajime |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 22 |
Pages of publication | 7452 - 7455 |
a | 9.9203 ± 0.0007 Å |
b | 13.1108 ± 0.0007 Å |
c | 13.241 ± 0.0011 Å |
α | 105.287 ± 0.003° |
β | 98.379 ± 0.002° |
γ | 110.223 ± 0.004° |
Cell volume | 1504.51 ± 0.19 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.1464 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for significantly intense reflections | 0.1751 |
Weighted residual factors for all reflections included in the refinement | 0.2566 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.71075 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/4131312.html
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structural data.