Information card for entry 7114031

Structure parameters

• Common name: (TBA)3[Re6S8Cl6]
• Chemical name: tris (tetrabutylammonium)(octa-μ~eq~3-sulfido-hexachloro-octahedro- rhenate(IV)pentarhenate(III))
• Formula: C48 H108 Cl6 N3 Re6 S8
• Calculated formula: C48 H108 Cl6 N3 Re6 S8
• Title of publication: Jahn-Teller distortion of the open-shell 23-electron chalcogenide rhenium cluster cores in crystals of the series, {[Re~6~Q~8~]^3+^(X^-^)~6~}^3-^ (Q = S, Se; X = Cl, CN)
• Authors of publication: Baudron, Stéphane A.; Deluzet, André; Boubekeur, Kamal; Batail, Patrick
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2124 - 2125
• a: 12.422 ± 0.003 Å
• b: 17.341 ± 0.004 Å
• c: 18.197 ± 0.004 Å
• α: 96.07 ± 0.03°
• β: 106.44 ± 0.03°
• γ: 103.89 ± 0.03°
• Cell volume: 3585.6 ± 1.7 ų
• Cell temperature: 150 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No