Information card for entry 7044320

Structure parameters

• Common name: no
• Chemical name: pentamethylcyclopentadienyl(thioindigo dianion) chromiunm dimer
• Formula: C58 H60 Cr2 O4 S4
• Calculated formula: C58 H60 Cr2 O4 S4
• Title of publication: Cis-thioindigo (TI) ‒ a new ligand with accessible radical anion and dianion states. Strong magnetic coupling in the {[TI-(μ2-O),(μ-O)] Cp*Cr}2 dimers.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Fatalov, Alexey M.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.3104 ± 0.0004 Å
• b: 10.9762 ± 0.0004 Å
• c: 12.2084 ± 0.0002 Å
• α: 67.979 ± 0.002°
• β: 82.612 ± 0.006°
• γ: 83.122 ± 0.003°
• Cell volume: 1266.33 ± 0.07 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No