Information card for entry 7204890

Structure parameters

• Common name: (BEDT-TTF)6[Cu8(i-mnt)6](CH2Cl2)4
• Chemical name: hexakis-bisethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)-tetrakis-dichloromethane solvate
• Formula: C44 H28 Cl4 Cu4 N6 S30
• Calculated formula: C44 H28 Cl4 Cu4 N6 S30
• Title of publication: Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?
• Authors of publication: Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2004
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 3509
• a: 12.8019 ± 0.0011 Å
• b: 16.5389 ± 0.0014 Å
• c: 17.5845 ± 0.0017 Å
• α: 95.819 ± 0.011°
• β: 91.382 ± 0.011°
• γ: 109.792 ± 0.01°
• Cell volume: 3478.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No