Information card for entry 7204891

Structure parameters

• Common name: (EDT-TTF)6[Cu8(i-mnt)6]
• Chemical name: hexakis-ethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)
• Formula: C72 H36 Cu8 N12 S48
• Calculated formula: C72 H24 Cu8 N12 S48
• 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: 11.8708 ± 0.0014 Å
• b: 14.59 ± 0.002 Å
• c: 16.714 ± 0.002 Å
• α: 76.93 ± 0.016°
• β: 77.497 ± 0.014°
• γ: 72.449 ± 0.015°
• Cell volume: 2654 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No