Information card for entry 7211493

Structure parameters

• Formula: C37 H44 Cl Cu2 N8 O13 S4
• Calculated formula: C37 H44 Cl Cu2 N8 O13 S4
• SMILES: CC1C(C)=[N]2[Cu]3(N=1=O)(N(=C(C)C(=[N]3c1cc(ccc1)[N]1=C(C)C(=N(=O)[Cu]31([N](=C(C(C)=[N]3O)C)c1cc2ccc1)[OH]C)C)C)=O)[OH]C.C1=CSC(=C2SC(=CS2)C(=O)[O-])S1.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: 11.4326 ± 0.0003 Å
• b: 17.9255 ± 0.0007 Å
• c: 23.2958 ± 0.001 Å
• α: 90°
• β: 98.79 ± 0.02°
• γ: 90°
• Cell volume: 4718.1 ± 0.4 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2836
• Weighted residual factors for all reflections included in the refinement: 0.3192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No