Information card for entry 7110618

Structure parameters

• Common name: (nBu4N)3 [Re6S8Cl6]
• Chemical name: tris-tetra-n-butylammonium octa-μ~eq~3-sulfido- hexachloro-octahedro-hexarhenate(III)
• Formula: C48 H108 Cl6 N3 Re6 S8
• Calculated formula: C48 H103 Cl6 N3 Re6 S8
• Title of publication: (NBun4+)3[Re6S8Cl6]3−·: synthesis and luminescence of the paramagnetic, open shell member of a hexanuclear chalcohalide cluster redox system
• Authors of publication: Guilbaud, Christophe; Deluzet, André; Domercq, Benoît; Molinié, Philippe; Boubekeur, Kamal; Batail, Patrick; Coulon, Claude
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1867
• a: 12.5106 ± 0.0015 Å
• b: 17.789 ± 0.002 Å
• c: 18.139 ± 0.002 Å
• α: 95.794 ± 0.015°
• β: 106.581 ± 0.013°
• γ: 103.57 ± 0.01°
• Cell volume: 3699.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No