Information card for entry 7711704

Structure parameters

• Formula: C102 H134 B3 Cr F12 N14
• Calculated formula: C102 H134 B3 Cr F12 N14
• Title of publication: Bulky ligands protect molecular ruby from oxygen quenching
• Authors of publication: Stein, Laura; Wang, Cui; Förster, Christoph; Resch-Genger, Ute; Heinze, Katja
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 20.8456 ± 0.0002 Å
• b: 34.2952 ± 0.0004 Å
• c: 28.337 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20258.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No