Information card for entry 7202872

Structure parameters

• Formula: C38 H73 Mo3 N8 O0.5 S16
• Calculated formula: C38 H72 Mo3 N8 O0.5 S16
• SMILES: [Mo]1234567([Mo]89%10%11%12([Mo]%13%14%151([S]28)([S]%10[S]%11%13)([S]5[S]6%14)Sc1nsnc1S%15)([S]3[S]49)Sc1nsnc1S%12)Sc1nsnc1S7.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• Title of publication: Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)
• Authors of publication: Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 3440
• a: 28.817 ± 0.005 Å
• b: 14.767 ± 0.002 Å
• c: 29.597 ± 0.005 Å
• α: 90°
• β: 103.763 ± 0.004°
• γ: 90°
• Cell volume: 12233 ± 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: 0.1309
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No