Information card for entry 4505113

Structure parameters

• Common name: 4(TTF(CH2OH)4), Re6S7Cl7, Cl
• Chemical name: [TTF(CH2OH)4]4[Re6S7Cl7]Cl
• Formula: C40 H48 Cl8 O16 Re6 S23
• Calculated formula: C40 H43 Cl8.04 O16 Re6 S23.04
• 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: 12.045 ± 0.002 Å
• b: 12.427 ± 0.003 Å
• c: 25.76 ± 0.005 Å
• α: 91.86 ± 0.03°
• β: 100 ± 0.03°
• γ: 108.54 ± 0.03°
• Cell volume: 3584.3 ± 1.5 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: 0.0942
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No