Information card for entry 7202875

Structure parameters

• Formula: C12 H11 Cl6 Mo3 N S15
• Calculated formula: C12 H8 Cl6 Mo3 N S15
• 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: 10.0467 ± 0.001 Å
• b: 11.3217 ± 0.0012 Å
• c: 14.8607 ± 0.0015 Å
• α: 105.133 ± 0.002°
• β: 92.035 ± 0.002°
• γ: 99.297 ± 0.003°
• Cell volume: 1604.9 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No