Information card for entry 7123918

Structure parameters

• Formula: C111 H109 K2.5 N15 O80 Re15 Se20
• Calculated formula: C111 H109 K2.5 N15 O80 Re15 Se20
• Title of publication: Tuning the chaotropic effect as an assembly motif through one-electron transfer in rhenium cluster
• Authors of publication: Ivanov, Anton A.; Falaise, Clément; Landy, David; Haouas, Mohamed; Mironov, Yuri V.; Shestopalov, Michael A.; Cadot, Emmanuel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 35.247 ± 0.004 Å
• b: 35.747 ± 0.004 Å
• c: 17.7344 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22345 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No