Information card for entry 4308759

Structure parameters

• Formula: C35 H29.5 Br6 Mo3 N0.5 P S15
• Calculated formula: C35 H28 Br6 Mo3 N0.5 P S15
• 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: 12.467 ± 0.005 Å
• b: 13.553 ± 0.006 Å
• c: 18.193 ± 0.008 Å
• α: 85.378 ± 0.011°
• β: 78.576 ± 0.011°
• γ: 65.858 ± 0.009°
• Cell volume: 2750 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No