Information card for entry 4505112

Structure parameters

• Common name: 2 TTF(CH2OH)4, Mo6Cl14
• Chemical name: [TTF(CH2OH)4]2[Mo6Cl14]
• Formula: C20 H24 Cl14 Mo6 O8 S8
• Calculated formula: C20 H20 Cl14 Mo6 O8 S8
• 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: 9.4212 ± 0.0011 Å
• b: 12.0528 ± 0.0014 Å
• c: 12.1076 ± 0.0016 Å
• α: 62.475 ± 0.013°
• β: 70.948 ± 0.014°
• γ: 84.463 ± 0.014°
• Cell volume: 1150 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No