Information card for entry 7114034

Structure parameters

• 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: 13.868 ± 0.0016 Å
• b: 15.196 ± 0.0016 Å
• c: 19.842 ± 0.002 Å
• α: 92.538 ± 0.013°
• β: 108.475 ± 0.013°
• γ: 100.22 ± 0.013°
• Cell volume: 3880.3 ± 0.8 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No