Information card for entry 7011905

Structure parameters

• Chemical name: Bis (3-diphenylstibino-3',4,4'-trimethyltetrathiafulvalene) nonadecaoxohexamolybdate(VI)
• Formula: C42 H38 Mo6 O19 S8 Sb2
• Calculated formula: C42 H38 Mo6 O19 S8 Sb2
• SMILES: C1(=C(C)SC(=C2SC(=C(C)S2)C)S1)[Sb](c1ccccc1)c1ccccc1.O1[Mo]234(O[Mo]567(O[Mo]89([O]%10%1127[Mo]2(O6)(O8)(O[Mo]%11(O[Mo]1%10(O5)(O2)=O)(O9)(O3)=O)=O)(O4)=O)=O)=O.C1(=C(C)SC(=C2SC(=C(C)S2)C)S1)[Sb](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: 24.63 ± 0.005 Å
• b: 13.868 ± 0.003 Å
• c: 19.166 ± 0.004 Å
• α: 90°
• β: 115.83 ± 0.03°
• γ: 90°
• Cell volume: 5892 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No