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Information card for entry 1551173
Preview
Coordinates | 1551173.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H40 F6 Fe N4 O10 P2 S2 |
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Calculated formula | C28 H40 F6 Fe N4 O10 P2 S2 |
SMILES | C1(N(C(=C(C)N1C(C)C)C)C(C)C)=[P]1[P](=C2N(C(=C(N2C(C)C)C)C)C(C)C)[Fe]1(C#[O])(C#[O])(C#[O])C#[O].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
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 | 14.4005 ± 0.0003 Å |
b | 15.3233 ± 0.0003 Å |
c | 17.8619 ± 0.0003 Å |
α | 90° |
β | 100.914 ± 0.0017° |
γ | 90° |
Cell volume | 3870.17 ± 0.13 Å3 |
Cell temperature | 100 ± 0.4 K |
Ambient diffraction temperature | 100 ± 0.4 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1551173.html
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Users of the data should acknowledge the original authors of the
structural data.