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Information card for entry 4313408
Preview
Coordinates | 4313408.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H26 Cl4 Cu F18 N2 O4 P S8 |
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Calculated formula | C38 H26 Cl4 Cu F18 N2 O4 P S8 |
SMILES | [P](F)(F)(F)(F)(F)[F-].c1cc(cc[n]1[Cu]12([n]3ccc(cc3)/C=C/C3=CSC(S3)=C3SC=CS3)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)/C=C/C1=CSC(S1)=C1SC=CS1.C(Cl)Cl.C(Cl)Cl |
Title of publication | First Radical Cation Salt of Paramagnetic Transition Metal Complex Containing TTF as Ligand, [CuII(hfac)2(TTF-py)2](PF6).2CH2Cl2 (hfac = Hexafluoroacetylacetonate and TTF-py = 4-(2-Tetrathiafulvalenyl-ethenyl)pyridine) |
Authors of publication | Fatima Setifi; Lahcène Ouahab; Stéphane Golhen; Yukihiro Yoshida; Gunzi Saito |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1791 - 1793 |
a | 9.6998 ± 0.0005 Å |
b | 10.205 ± 0.0005 Å |
c | 14.4317 ± 0.0008 Å |
α | 105.695 ± 0.002° |
β | 91.419 ± 0.002° |
γ | 97.7194 ± 0.0019° |
Cell volume | 1360.02 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1515 |
Residual factor for significantly intense reflections | 0.0819 |
Weighted residual factors for significantly intense reflections | 0.2209 |
Weighted residual factors for all reflections included in the refinement | 0.2708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4313408.html
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