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Information card for entry 1551172
Preview
Coordinates | 1551172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H42 Cl5 F3 N4 O3 P2 S |
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Calculated formula | C24 H42 Cl5 F3 N4 O3 P2 S |
SMILES | ClP(P(Cl)c1n(c(c([n+]1C(C)C)C)C)C(C)C)c1n(c(c([n+]1C(C)C)C)C)C(C)C.[Cl-].S(=O)(=O)([O-])C(F)(F)F.ClCCl |
Title of publication | Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC) |
Authors of publication | Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 11.51562 ± 0.00004 Å |
b | 10.67077 ± 0.00003 Å |
c | 29.25903 ± 0.00009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3595.37 ± 0.02 Å3 |
Cell temperature | 102 ± 1 K |
Ambient diffraction temperature | 102 ± 1 K |
Number of distinct elements | 8 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0211 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0579 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1551172.html
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