Information card for entry 4310280

Structure parameters

• Formula: Br12 Cs4 Mo6 S2
• Calculated formula: Br12.103 Cs4 Mo6 S1.897
• Title of publication: Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)
• Authors of publication: Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 219 - 226
• a: 11.511 ± 0.005 Å
• b: 18.772 ± 0.005 Å
• c: 28.381 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6133 ± 3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No