Information card for entry 4505111

Structure parameters

• Common name: 2 TTF(CH2OH)4, Re6S6Cl8
• Chemical name: [TTF(CH2OH)4]2[Re6S6Cl8]
• Formula: C20 H24 Cl8 O8 Re6 S14
• Calculated formula: C20 H12 Cl8 O8 Re6 S14
• Title of publication: Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)
• Authors of publication: Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1585
• a: 9.6045 ± 0.0011 Å
• b: 11.7209 ± 0.0013 Å
• c: 12.0618 ± 0.0013 Å
• α: 62.929 ± 0.012°
• β: 69.909 ± 0.013°
• γ: 84.735 ± 0.013°
• Cell volume: 1132.1 ± 0.3 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: 0.0615
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No