Information card for entry 4308756

Structure parameters

• Formula: C21.1 H18.2 Br8.2 Mo3 S23
• Calculated formula: C21.1 H16 Br8.2 Mo3 S23
• Title of publication: Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster
• Authors of publication: Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1563 - 1570
• a: 12.643 ± 0.003 Å
• b: 13.37 ± 0.004 Å
• c: 17.936 ± 0.004 Å
• α: 103.884 ± 0.008°
• β: 95.013 ± 0.007°
• γ: 114.396 ± 0.006°
• Cell volume: 2620.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No