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Information card for entry 4075286
Preview
Coordinates | 4075286.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ph(CC)2Ph-2[(o-C6F4Hg)3] |
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Formula | C52 H10 F24 Hg6 |
Calculated formula | C52 H10 F24 Hg6 |
SMILES | c12c(c(c(c(c1[Hg]c4c(c(F)c(c(c4[Hg]c3c(c(c(c(c3[Hg]2)F)F)F)F)F)F)F)F)F)F)F.c1(ccccc1)C#CC#Cc1ccccc1.c12c(c(c(c(c1[Hg]c4c(c(F)c(c(c4[Hg]c3c(c(c(c(c3[Hg]2)F)F)F)F)F)F)F)F)F)F)F |
Title of publication | Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3 |
Authors of publication | Taylor, Thomas J.; Gabbaï, François P. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 9 |
Pages of publication | 2143 |
a | 9.0887 ± 0.0018 Å |
b | 10.574 ± 0.002 Å |
c | 13.65 ± 0.003 Å |
α | 68.33 ± 0.03° |
β | 78.31 ± 0.03° |
γ | 83 ± 0.03° |
Cell volume | 1192.2 ± 0.5 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 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 | 0.0646 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1583 |
Weighted residual factors for all reflections included in the refinement | 0.1649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4075286.html
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Users of the data should acknowledge the original authors of the
structural data.