Information card for entry 4002055

Structure parameters

• Formula: Cl6 Mo2 S2
• Calculated formula: Cl6 Mo2 S2
• Title of publication: One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels
• Authors of publication: Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 5151
• a: 13.956 ± 0.003 Å
• b: 11.141 ± 0.002 Å
• c: 13.011 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No