Information card for entry 7114033

Structure parameters

• Common name: (PPh4)3 Re6S8(CN)6
• Formula: C78 H60 N6 P3 Re6 S8
• Calculated formula: C78 H60 N6 P3 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: 13.8727 ± 0.0011 Å
• b: 15.2511 ± 0.0013 Å
• c: 19.8989 ± 0.0018 Å
• α: 92.353 ± 0.011°
• β: 108.276 ± 0.01°
• γ: 100.193 ± 0.009°
• Cell volume: 3913.6 ± 0.6 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: 0.0843
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No