Information card for entry 7006657

Structure parameters

• Common name: (2,2-bis(DMT-TTF-CONH-3-Py))Cu(DMF)3(CF3SO3),2DMF
• Formula: C45 H57 Cu F6 N9 O13 S14
• Calculated formula: C45 H57 Cu F6 N9 O13 S14
• Title of publication: Copper(I/II) complexes of a bis(tetrathiafulvalene)-2,2'-bipyridine: synthesis, characterization, magnetic and electrochemical properties.
• Authors of publication: Devic, Thomas; Rondeau, David; Sahin, Yücel; Levillain, Eric; Clérac, Rodolphe; Batail, Patrick; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 10
• Pages of publication: 1331 - 1337
• a: 19.764 ± 0.002 Å
• b: 28.797 ± 0.003 Å
• c: 14.6062 ± 0.0012 Å
• α: 90°
• β: 122.316 ± 0.007°
• γ: 90°
• Cell volume: 7025.4 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1996
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No