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Information card for entry 4080905
Preview
Coordinates | 4080905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C83 H68 Au3 Cu F6 O4 P4 |
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Calculated formula | C83 H68 Au3 Cu F6 O4 P4 |
SMILES | [Au]([C]1#[C](C(c2ccccc2)(c2ccccc2)O)[Cu]123([C]([Au]1)#[C]2C(c2ccccc2)(c2ccccc2)O)[C]([Au]2)#[C]3C(c3ccccc3)(c3ccccc3)O)[P](C([P]1(c1ccccc1)c1ccccc1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.CO.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters |
Authors of publication | Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4061 |
a | 11.6977 ± 0.0005 Å |
b | 21.4438 ± 0.0009 Å |
c | 29.1247 ± 0.0012 Å |
α | 90° |
β | 98.588 ± 0.001° |
γ | 90° |
Cell volume | 7223.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.078 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.745 |
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/4080905.html
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structural data.