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Information card for entry 4070139
Preview
Coordinates | 4070139.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H20 F24 Hg6 O6 |
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Calculated formula | C44 H20 F24 Hg6 O6 |
SMILES | Fc1c2[Hg]c3c(c(c(c(c3F)F)F)F)[Hg]c3c(c(c(c(c3F)F)F)F)[Hg]c2c(c(c1F)F)F.O1CCOCCOCCOCC1.O.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(F)c(c(c1F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2.O |
Title of publication | Complexation of [12]Crown-4, [18]Crown-6, and 1,3,5-Trioxane with Cyclic Trimeric Perfluoro-o-phenylenemercury. Synthesis and Structures of the First Complexes of Crown Ethers with an Anticrown |
Authors of publication | Tikhonova, Irina A.; Gribanyov, Dmitry A.; Tugashov, Kirill I.; Dolgushin, Fedor M.; Smol’yakov, Alexandr F.; Peregudov, Alexandr S.; Klemenkova, Zinaida S.; Shur, Vladimir B. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 22 |
Pages of publication | 6567 |
a | 10.8129 ± 0.0003 Å |
b | 10.8204 ± 0.0003 Å |
c | 12.498 ± 0.0005 Å |
α | 113.889 ± 0.001° |
β | 104.511 ± 0.001° |
γ | 103.509 ± 0.001° |
Cell volume | 1198.03 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0253 |
Residual factor for significantly intense reflections | 0.0204 |
Weighted residual factors for significantly intense reflections | 0.0433 |
Weighted residual factors for all reflections included in the refinement | 0.0447 |
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/4070139.html
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Users of the data should acknowledge the original authors of the
structural data.