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Information card for entry 4081728
Preview
Coordinates | 4081728.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 Cl2 F3 N2 O3 P S |
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Calculated formula | C28 H36 Cl2 F3 N2 O3 P S |
SMILES | c1(n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)P(Cl)Cl.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC) |
Authors of publication | Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 22 |
Pages of publication | 6674 |
a | 9.6668 ± 0.0002 Å |
b | 13.8796 ± 0.0003 Å |
c | 12.328 ± 0.0003 Å |
α | 90° |
β | 108.162 ± 0.001° |
γ | 90° |
Cell volume | 1571.66 ± 0.06 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 1 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1448 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 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/4081728.html
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Users of the data should acknowledge the original authors of the
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