Information card for entry 7111288

Structure parameters

• Common name: (EDT-TTF-CONHMe)6(Re6Se8(CN)6)(CH3CN)2(CH2Cl2)2
• Formula: C72 H64 Cl4 N14 O6 Re6 S36 Se8
• Calculated formula: C72 H44 Cl4 N14 O6 Re6 S36 Se8
• Title of publication: Interdependence of redox state, hydrogen bonding, anion recognition and charge partition in crystals of (EDT-TTF-CONHMe)6 [Re6Se8(CN)6] (CH3CN)2(CH2Cl2)2Electronic supplementary information (ESI) available: plot of magnetic susceptibility against temperature. See http://www.rsc.org/suppdata/cc/b3/b303416j/
• Authors of publication: Baudron, St�phane A.; Batail, Patrick; Rovira, Carme; Canadell, Enric; Cl�rac, Rodolphe
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1820
• a: 12.1696 ± 0.001 Å
• b: 12.7271 ± 0.0011 Å
• c: 18.8982 ± 0.0016 Å
• α: 94.672 ± 0.01°
• β: 98.494 ± 0.01°
• γ: 95.591 ± 0.01°
• Cell volume: 2867.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No