Information card for entry 4308755

Structure parameters

• Formula: C15.5 H13 Br7 Mo3 S19
• Calculated formula: C15.5 H12 Br7 Mo3 S19
• 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: 11.762 ± 0.004 Å
• b: 12.246 ± 0.004 Å
• c: 16.813 ± 0.006 Å
• α: 107.572 ± 0.009°
• β: 99.133 ± 0.007°
• γ: 102.856 ± 0.008°
• Cell volume: 2183.3 ± 1.3 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: 0.1351
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No