Information card for entry 7011903

Structure parameters

• Common name: o-Me2TTF-SbPh2
• Chemical name: 3-(diphenylstibino)3',4'-dimethyltetrathiafulvalene
• Formula: C20 H17 S4 Sb
• Calculated formula: C20 H17 S4 Sb
• SMILES: [Sb](C1=CSC(S1)=C1SC(=C(S1)C)C)(c1ccccc1)c1ccccc1
• Title of publication: SbS and SS interactions in the first neutral and oxidized diphenylstibino (Ph2Sb‒) derivatives of the redox active tetrathiafulvalene (TTF) core
• Authors of publication: Srinivasan S. Kuduva; Narcis Avarvari; Marc Fourmigué
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3686 - 3690
• a: 7.7888 ± 0.0016 Å
• b: 38.875 ± 0.008 Å
• c: 6.8578 ± 0.0014 Å
• α: 90°
• β: 92.87 ± 0.03°
• γ: 90°
• Cell volume: 2073.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No