Information card for entry 4505109

Structure parameters

• Common name: TTF(CH2OH)4
• Chemical name: tetrakis(hydroxylmethyl)tetrathiafulvalene
• Formula: C10 H12 O4 S4
• Calculated formula: C10 H12 O4 S4
• 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: 5.2784 ± 0.0014 Å
• b: 6.7945 ± 0.0017 Å
• c: 10.313 ± 0.003 Å
• α: 70.89 ± 0.03°
• β: 87.74 ± 0.03°
• γ: 70.57 ± 0.03°
• Cell volume: 328.58 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No