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Information card for entry 7211495
Preview
Coordinates | 7211495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H41 Cl2 Cu2 N9 O13 S4 |
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Calculated formula | C41 H41 Cl2 Cu2 N9 O13 S4 |
SMILES | C1(=CSC(=C2SC=CS2)S1)/C=C/c1cc[n](cc1)[Cu]123[N](c4cccc(c4)[N]4=C(C(C)=[N](O)[Cu]54([N](c4cc(ccc4)[N]1=C(C(C)=[N]3O)C)=C(C(C)=N5=O)C)[OH2])C)=C(C(C)=N2=O)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | A new approach towards ferromagnetic conducting materials based on TTF-containing polynuclear complexes |
Authors of publication | Kolotilov, Sergey V.; Cador, Olivier; Pointillart, Fabrice; Golhen, Stéphane; Le Gal, Yann; Gavrilenko, Konstantin S.; Ouahab, Lahcène |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2010 |
Journal volume | 20 |
Journal issue | 42 |
Pages of publication | 9505 |
a | 11.316 ± 0.001 Å |
b | 22.212 ± 0.001 Å |
c | 23.497 ± 0.001 Å |
α | 90° |
β | 97.312 ± 0.001° |
γ | 90° |
Cell volume | 5858 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0952 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.1792 |
Weighted residual factors for all reflections included in the refinement | 0.1968 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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